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 1q5n_1_A DATA FIRST_RESID 3 DATA SEQUENCE QLYASLFYQR DVTEIFSDRA LVSYMVEAEV ALAQAQAQVG VIPQSAATVI DATA SEQUENCE QRAAKTAIDK IDFDALATAT GLAGNIAIPF VKQLTAIVKD ADEDAARYVH DATA SEQUENCE WGATSQDILD TACILQCRDA LAIVQNQVQQ CYETALSQAQ TYRHQVMMGR DATA SEQUENCE TWLQQALPIT LGHKLARWAS AFKRDLDRIN AIKARVLVAQ LGGAVGSLAS DATA SEQUENCE LQDQGSIVVE AYAKQLKLGQ TACTWHGERD RIVEIASVLG IITGNVGKMA DATA SEQUENCE RDWSLMMQTE IAEVFEPTXX XXXXXXXXXX XRNPVAAASV LAAANRVPAL DATA SEQUENCE MSSIYQSMVQ EHERSLGAWH AEWLSLPEIF QLTAGALERT LDVLKGMEVN DATA SEQUENCE AENMHQNIEC THGLIMAEAV MMALAPHMGR LNAHHVVEAA CKTAVAEQKH DATA SEQUENCE LKDIISQVDE VKQYFNPSQL DEIFKPESYL GNIQDQIDAV LQEA 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 175.992 176.000 -0.014 0.000 1.003 3 Q CA 0.000 55.832 55.803 0.048 0.000 1.022 3 Q CB 0.000 28.749 28.738 0.019 0.000 1.108 4 L N 0.867 122.014 121.223 -0.127 0.000 2.131 4 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 4 L C 1.580 178.336 176.870 -0.190 0.000 1.092 4 L CA 1.381 56.095 54.840 -0.211 0.000 0.759 4 L CB -0.273 41.564 42.059 -0.369 0.000 0.903 4 L HN 0.335 nan 8.230 nan 0.000 0.435 5 Y N -0.760 119.533 120.300 -0.013 0.000 2.519 5 Y HA 0.061 4.611 4.550 -0.000 0.000 0.287 5 Y C 2.452 178.256 175.900 -0.160 0.000 1.128 5 Y CA 0.104 58.166 58.100 -0.063 0.000 1.282 5 Y CB -0.806 37.721 38.460 0.111 0.000 1.027 5 Y HN 0.074 nan 8.280 nan 0.000 0.551 6 A N -0.835 122.035 122.820 0.082 0.000 1.978 6 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 6 A C 2.527 180.123 177.584 0.019 0.000 1.170 6 A CA 1.979 54.075 52.037 0.097 0.000 0.636 6 A CB -0.894 18.262 19.000 0.260 0.000 0.810 6 A HN 0.358 nan 8.150 nan 0.000 0.448 7 S N -1.117 114.572 115.700 -0.019 0.000 2.428 7 S HA 0.025 4.495 4.470 -0.000 0.000 0.230 7 S C 1.862 176.389 174.600 -0.121 0.000 1.014 7 S CA 1.030 59.206 58.200 -0.039 0.000 0.957 7 S CB -0.344 62.831 63.200 -0.042 0.000 0.784 7 S HN 0.520 nan 8.310 nan 0.000 0.499 8 L N -0.820 120.243 121.223 -0.267 0.000 2.095 8 L HA 0.137 4.477 4.340 -0.000 0.000 0.204 8 L C 1.435 177.960 176.870 -0.576 0.000 1.080 8 L CA 1.221 55.744 54.840 -0.528 0.000 0.759 8 L CB -0.113 41.389 42.059 -0.928 0.000 0.914 8 L HN 0.385 nan 8.230 nan 0.000 0.439 9 F N -2.738 117.082 119.950 -0.217 0.000 2.712 9 F HA 0.163 4.690 4.527 -0.000 0.000 0.297 9 F C 0.504 176.244 175.800 -0.099 0.000 1.114 9 F CA -0.610 57.235 58.000 -0.257 0.000 1.305 9 F CB -0.171 38.542 39.000 -0.478 0.000 1.086 9 F HN -0.135 nan 8.300 nan 0.000 0.599 10 Y N -0.258 120.182 120.300 0.234 0.000 2.679 10 Y HA 0.589 5.139 4.550 -0.000 0.000 0.331 10 Y C 0.270 176.248 175.900 0.130 0.000 1.183 10 Y CA -2.018 56.187 58.100 0.175 0.000 1.290 10 Y CB -0.069 38.490 38.460 0.166 0.000 1.489 10 Y HN -0.312 nan 8.280 nan 0.000 0.583 11 Q N 1.079 121.076 119.800 0.329 0.000 2.330 11 Q HA 0.282 4.622 4.340 -0.000 0.000 0.269 11 Q C 0.854 176.960 176.000 0.177 0.000 1.022 11 Q CA -0.513 55.412 55.803 0.203 0.000 0.796 11 Q CB 2.072 30.915 28.738 0.176 0.000 1.271 11 Q HN 0.806 nan 8.270 nan 0.000 0.450 12 R N 2.772 123.352 120.500 0.134 0.000 2.112 12 R HA -0.208 4.132 4.340 -0.000 0.000 0.242 12 R C 0.584 176.936 176.300 0.087 0.000 1.137 12 R CA 2.560 58.724 56.100 0.106 0.000 0.944 12 R CB 0.248 30.592 30.300 0.074 0.000 0.857 12 R HN 0.678 nan 8.270 nan 0.000 0.435 13 D N -0.381 120.063 120.400 0.074 0.000 2.117 13 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 13 D C 1.973 178.308 176.300 0.059 0.000 0.987 13 D CA 1.109 55.140 54.000 0.052 0.000 0.829 13 D CB -0.188 40.637 40.800 0.042 0.000 0.961 13 D HN 0.138 nan 8.370 nan 0.000 0.460 14 V N 1.220 121.193 119.914 0.099 0.000 2.427 14 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 14 V C 2.520 178.725 176.094 0.185 0.000 1.051 14 V CA 1.622 64.004 62.300 0.136 0.000 1.048 14 V CB -0.679 31.261 31.823 0.196 0.000 0.666 14 V HN 0.200 nan 8.190 nan 0.000 0.456 15 T N -0.699 113.942 114.554 0.145 0.000 2.788 15 T HA -0.216 4.133 4.350 -0.000 0.000 0.268 15 T C 1.862 176.625 174.700 0.104 0.000 1.044 15 T CA 1.665 63.839 62.100 0.123 0.000 1.139 15 T CB -0.133 68.815 68.868 0.133 0.000 0.867 15 T HN 0.561 nan 8.240 nan 0.000 0.454 16 E N 0.275 120.513 120.200 0.064 0.000 2.072 16 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 16 E C 2.095 178.687 176.600 -0.013 0.000 0.985 16 E CA 0.657 57.069 56.400 0.020 0.000 0.801 16 E CB -0.142 29.560 29.700 0.003 0.000 0.750 16 E HN 0.460 nan 8.360 nan 0.000 0.452 17 I N 0.013 120.551 120.570 -0.053 0.000 2.335 17 I HA -0.244 3.926 4.170 -0.000 0.000 0.251 17 I C 1.081 176.990 176.117 -0.347 0.000 1.129 17 I CA 1.001 62.191 61.300 -0.183 0.000 1.402 17 I CB 0.004 37.789 38.000 -0.359 0.000 1.069 17 I HN 0.099 nan 8.210 nan 0.000 0.424 18 F N 0.432 120.370 119.950 -0.020 0.000 2.641 18 F HA 0.128 4.655 4.527 -0.000 0.000 0.302 18 F C 1.571 177.359 175.800 -0.021 0.000 1.098 18 F CA -0.475 57.503 58.000 -0.037 0.000 1.318 18 F CB -0.329 38.624 39.000 -0.077 0.000 1.035 18 F HN -0.071 nan 8.300 nan 0.000 0.551 19 S N -0.878 114.876 115.700 0.090 0.000 2.614 19 S HA 0.059 4.529 4.470 -0.000 0.000 0.265 19 S C 1.128 175.750 174.600 0.037 0.000 1.303 19 S CA -0.688 57.542 58.200 0.051 0.000 1.000 19 S CB 0.955 64.160 63.200 0.008 0.000 0.935 19 S HN 0.131 nan 8.310 nan 0.000 0.551 20 D N 0.912 121.326 120.400 0.024 0.000 2.133 20 D HA -0.134 4.506 4.640 -0.000 0.000 0.195 20 D C 1.972 178.326 176.300 0.090 0.000 0.997 20 D CA 1.446 55.483 54.000 0.061 0.000 0.840 20 D CB -0.288 40.556 40.800 0.074 0.000 0.947 20 D HN 0.690 nan 8.370 nan 0.000 0.452 21 R N 0.507 120.977 120.500 -0.050 0.000 2.073 21 R HA -0.055 4.285 4.340 -0.000 0.000 0.234 21 R C 2.152 178.449 176.300 -0.005 0.000 1.134 21 R CA 1.516 57.575 56.100 -0.068 0.000 0.952 21 R CB -0.198 29.971 30.300 -0.218 0.000 0.850 21 R HN 0.111 nan 8.270 nan 0.000 0.433 22 A N 0.689 123.486 122.820 -0.039 0.000 1.930 22 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 22 A C 2.001 179.601 177.584 0.026 0.000 1.175 22 A CA 1.164 53.151 52.037 -0.084 0.000 0.627 22 A CB -0.591 18.373 19.000 -0.059 0.000 0.815 22 A HN 0.386 nan 8.150 nan 0.000 0.443 23 L N 0.093 121.364 121.223 0.079 0.000 2.012 23 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 23 L C 2.334 179.204 176.870 -0.000 0.000 1.073 23 L CA 2.128 57.015 54.840 0.078 0.000 0.748 23 L CB -0.600 41.459 42.059 -0.001 0.000 0.891 23 L HN 0.145 nan 8.230 nan 0.000 0.431 24 V N -1.133 118.777 119.914 -0.008 0.000 2.490 24 V HA -0.253 3.867 4.120 -0.000 0.000 0.250 24 V C 2.690 178.764 176.094 -0.035 0.000 1.061 24 V CA 1.713 63.964 62.300 -0.081 0.000 1.064 24 V CB -0.641 31.242 31.823 0.100 0.000 0.670 24 V HN 0.515 nan 8.190 nan 0.000 0.461 25 S N -1.262 114.424 115.700 -0.023 0.000 2.356 25 S HA -0.190 4.280 4.470 -0.000 0.000 0.223 25 S C 1.874 176.410 174.600 -0.106 0.000 1.032 25 S CA 1.668 59.811 58.200 -0.095 0.000 1.005 25 S CB -0.336 62.709 63.200 -0.259 0.000 0.867 25 S HN 0.658 nan 8.310 nan 0.000 0.449 26 Y N 1.125 121.381 120.300 -0.074 0.000 2.293 26 Y HA 0.041 4.591 4.550 -0.000 0.000 0.291 26 Y C 2.302 178.157 175.900 -0.075 0.000 1.137 26 Y CA 0.871 58.924 58.100 -0.079 0.000 1.202 26 Y CB -0.415 37.976 38.460 -0.116 0.000 0.990 26 Y HN 0.243 nan 8.280 nan 0.000 0.537 27 M N -1.379 118.213 119.600 -0.014 0.000 2.175 27 M HA -0.192 4.288 4.480 -0.000 0.000 0.264 27 M C 2.072 178.420 176.300 0.080 0.000 1.063 27 M CA 1.124 56.330 55.300 -0.157 0.000 1.119 27 M CB -0.473 31.664 32.600 -0.772 0.000 1.377 27 M HN 0.065 nan 8.290 nan 0.000 0.415 28 V N 0.480 120.487 119.914 0.155 0.000 2.295 28 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 28 V C 2.230 178.434 176.094 0.185 0.000 1.049 28 V CA 2.220 64.689 62.300 0.282 0.000 1.024 28 V CB -0.733 31.213 31.823 0.204 0.000 0.648 28 V HN 0.530 nan 8.190 nan 0.000 0.447 29 E N 0.087 120.361 120.200 0.123 0.000 2.085 29 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 29 E C 2.213 178.902 176.600 0.148 0.000 0.994 29 E CA 1.462 57.928 56.400 0.110 0.000 0.801 29 E CB -0.241 29.513 29.700 0.091 0.000 0.743 29 E HN 0.580 nan 8.360 nan 0.000 0.453 30 A N 1.132 124.058 122.820 0.177 0.000 1.933 30 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 30 A C 2.009 179.785 177.584 0.320 0.000 1.175 30 A CA 1.452 53.636 52.037 0.245 0.000 0.628 30 A CB -0.409 18.735 19.000 0.239 0.000 0.814 30 A HN 0.229 nan 8.150 nan 0.000 0.444 31 E N -0.114 120.255 120.200 0.282 0.000 2.072 31 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 31 E C 2.235 178.963 176.600 0.215 0.000 0.985 31 E CA 1.283 57.845 56.400 0.269 0.000 0.801 31 E CB -0.581 29.295 29.700 0.293 0.000 0.750 31 E HN 0.396 nan 8.360 nan 0.000 0.452 32 V N 1.724 121.749 119.914 0.184 0.000 2.295 32 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 32 V C 2.478 178.667 176.094 0.157 0.000 1.049 32 V CA 1.899 64.284 62.300 0.142 0.000 1.024 32 V CB -0.879 31.009 31.823 0.108 0.000 0.648 32 V HN 0.252 nan 8.190 nan 0.000 0.447 33 A N -0.377 122.557 122.820 0.190 0.000 1.972 33 A HA -0.190 4.129 4.320 -0.000 0.000 0.219 33 A C 2.151 179.928 177.584 0.322 0.000 1.169 33 A CA 2.016 54.179 52.037 0.209 0.000 0.635 33 A CB -0.534 18.551 19.000 0.142 0.000 0.810 33 A HN 0.460 nan 8.150 nan 0.000 0.446 34 L N -0.305 121.133 121.223 0.360 0.000 2.017 34 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 34 L C 2.658 179.612 176.870 0.140 0.000 1.073 34 L CA 2.209 57.163 54.840 0.190 0.000 0.745 34 L CB -0.775 41.303 42.059 0.031 0.000 0.894 34 L HN 0.322 nan 8.230 nan 0.000 0.432 35 A N -1.236 121.672 122.820 0.147 0.000 1.898 35 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 35 A C 2.198 179.836 177.584 0.090 0.000 1.181 35 A CA 1.708 53.818 52.037 0.121 0.000 0.620 35 A CB -0.562 18.508 19.000 0.116 0.000 0.819 35 A HN 0.646 nan 8.150 nan 0.000 0.442 36 Q N -0.724 119.135 119.800 0.099 0.000 2.084 36 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 36 Q C 2.432 178.480 176.000 0.079 0.000 0.978 36 Q CA 1.349 57.197 55.803 0.076 0.000 0.844 36 Q CB -0.362 28.422 28.738 0.076 0.000 0.898 36 Q HN 0.682 nan 8.270 nan 0.000 0.426 37 A N 0.915 123.807 122.820 0.119 0.000 1.930 37 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 37 A C 1.938 179.574 177.584 0.086 0.000 1.175 37 A CA 1.345 53.453 52.037 0.117 0.000 0.627 37 A CB -0.355 18.759 19.000 0.189 0.000 0.815 37 A HN 0.337 nan 8.150 nan 0.000 0.443 38 Q N -0.737 119.114 119.800 0.085 0.000 2.083 38 Q HA -0.019 4.321 4.340 -0.000 0.000 0.198 38 Q C 2.438 178.457 176.000 0.032 0.000 0.969 38 Q CA 1.175 57.025 55.803 0.077 0.000 0.838 38 Q CB -0.344 28.471 28.738 0.129 0.000 0.900 38 Q HN 0.673 nan 8.270 nan 0.000 0.436 39 A N 1.240 124.065 122.820 0.009 0.000 1.902 39 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 39 A C 2.013 179.590 177.584 -0.011 0.000 1.181 39 A CA 1.648 53.666 52.037 -0.030 0.000 0.623 39 A CB -0.662 18.317 19.000 -0.035 0.000 0.818 39 A HN 0.427 nan 8.150 nan 0.000 0.443 40 Q N 0.253 120.060 119.800 0.012 0.000 2.291 40 Q HA -0.108 4.232 4.340 -0.000 0.000 0.206 40 Q C 1.285 177.295 176.000 0.016 0.000 0.976 40 Q CA 1.938 57.750 55.803 0.016 0.000 0.875 40 Q CB -0.194 28.561 28.738 0.029 0.000 0.927 40 Q HN 0.700 nan 8.270 nan 0.000 0.450 41 V N -4.827 115.099 119.914 0.021 0.000 3.427 41 V HA 0.539 4.659 4.120 -0.000 0.000 0.305 41 V C 0.956 177.059 176.094 0.015 0.000 1.412 41 V CA 0.416 62.730 62.300 0.022 0.000 1.086 41 V CB 0.239 32.082 31.823 0.034 0.000 0.964 41 V HN 0.349 nan 8.190 nan 0.000 0.439 42 G N 0.551 109.351 108.800 -0.000 0.000 2.241 42 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.244 42 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.244 42 G C 0.713 175.604 174.900 -0.016 0.000 0.998 42 G CA 0.471 45.563 45.100 -0.014 0.000 0.621 42 G HN 0.666 nan 8.290 nan 0.000 0.519 43 V N 1.522 121.447 119.914 0.019 0.000 2.469 43 V HA 0.086 4.206 4.120 -0.000 0.000 0.251 43 V C 1.545 177.611 176.094 -0.047 0.000 1.064 43 V CA 2.282 64.613 62.300 0.053 0.000 1.066 43 V CB -0.664 31.255 31.823 0.159 0.000 0.667 43 V HN 0.935 nan 8.190 nan 0.000 0.461 44 I N -3.264 117.227 120.570 -0.132 0.000 2.969 44 I HA 0.591 4.761 4.170 -0.000 0.000 0.307 44 I C -2.944 172.959 176.117 -0.357 0.000 1.149 44 I CA -2.699 58.366 61.300 -0.391 0.000 1.008 44 I CB 2.444 40.149 38.000 -0.492 0.000 1.232 44 I HN -0.190 nan 8.210 nan 0.000 0.435 45 P HA 0.018 nan 4.420 nan 0.000 0.267 45 P C -0.103 177.065 177.300 -0.220 0.000 1.205 45 P CA 0.126 63.046 63.100 -0.300 0.000 0.765 45 P CB 1.334 32.852 31.700 -0.303 0.000 0.828 46 Q N 3.557 123.279 119.800 -0.129 0.000 2.248 46 Q HA -0.206 4.133 4.340 -0.000 0.000 0.208 46 Q C 2.091 178.046 176.000 -0.074 0.000 0.984 46 Q CA 2.381 58.135 55.803 -0.082 0.000 0.875 46 Q CB -0.922 27.785 28.738 -0.052 0.000 0.910 46 Q HN 0.530 nan 8.270 nan 0.000 0.433 47 S N -0.787 114.862 115.700 -0.085 0.000 2.348 47 S HA -0.160 4.310 4.470 -0.000 0.000 0.221 47 S C 2.015 176.584 174.600 -0.052 0.000 1.033 47 S CA 1.529 59.694 58.200 -0.059 0.000 1.010 47 S CB -0.708 62.460 63.200 -0.055 0.000 0.891 47 S HN 0.545 nan 8.310 nan 0.000 0.442 48 A N 1.924 124.688 122.820 -0.092 0.000 1.908 48 A HA 0.173 4.492 4.320 -0.000 0.000 0.218 48 A C 2.600 180.176 177.584 -0.014 0.000 1.181 48 A CA 2.145 54.156 52.037 -0.044 0.000 0.627 48 A CB -1.649 17.282 19.000 -0.115 0.000 0.818 48 A HN 1.008 nan 8.150 nan 0.000 0.445 49 A N -1.164 121.631 122.820 -0.042 0.000 1.908 49 A HA -0.136 4.183 4.320 -0.000 0.000 0.218 49 A C 2.310 179.901 177.584 0.011 0.000 1.181 49 A CA 2.428 54.464 52.037 -0.002 0.000 0.627 49 A CB -1.309 17.685 19.000 -0.010 0.000 0.818 49 A HN 0.439 nan 8.150 nan 0.000 0.445 50 T N -0.637 113.916 114.554 -0.002 0.000 2.821 50 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 50 T C 1.853 176.560 174.700 0.011 0.000 1.046 50 T CA 1.447 63.550 62.100 0.004 0.000 1.139 50 T CB -0.293 68.573 68.868 -0.003 0.000 0.871 50 T HN 0.160 nan 8.240 nan 0.000 0.454 51 V N 1.182 121.103 119.914 0.012 0.000 2.358 51 V HA -0.089 4.031 4.120 -0.000 0.000 0.246 51 V C 2.323 178.431 176.094 0.024 0.000 1.047 51 V CA 1.304 63.614 62.300 0.016 0.000 1.035 51 V CB -0.496 31.338 31.823 0.019 0.000 0.658 51 V HN 0.477 nan 8.190 nan 0.000 0.452 52 I N -0.176 120.415 120.570 0.035 0.000 2.142 52 I HA -0.321 3.849 4.170 -0.000 0.000 0.240 52 I C 2.669 178.811 176.117 0.042 0.000 1.078 52 I CA 2.007 63.334 61.300 0.044 0.000 1.343 52 I CB -0.436 37.604 38.000 0.067 0.000 1.046 52 I HN 0.371 nan 8.210 nan 0.000 0.405 53 Q N 1.068 120.893 119.800 0.041 0.000 2.197 53 Q HA -0.244 4.096 4.340 -0.000 0.000 0.207 53 Q C 2.285 178.302 176.000 0.028 0.000 0.984 53 Q CA 1.691 57.517 55.803 0.038 0.000 0.869 53 Q CB 0.043 28.801 28.738 0.033 0.000 0.906 53 Q HN 0.427 nan 8.270 nan 0.000 0.426 54 R N -0.788 119.725 120.500 0.022 0.000 2.100 54 R HA 0.073 4.413 4.340 -0.000 0.000 0.220 54 R C 2.289 178.598 176.300 0.015 0.000 1.091 54 R CA 0.805 56.915 56.100 0.016 0.000 0.986 54 R CB -0.114 30.192 30.300 0.011 0.000 0.888 54 R HN 0.272 nan 8.270 nan 0.000 0.444 55 A N 1.169 123.998 122.820 0.016 0.000 1.969 55 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 55 A C 2.281 179.874 177.584 0.014 0.000 1.169 55 A CA 1.517 53.561 52.037 0.011 0.000 0.635 55 A CB -0.429 18.575 19.000 0.006 0.000 0.810 55 A HN 0.373 nan 8.150 nan 0.000 0.445 56 A N 0.382 123.217 122.820 0.024 0.000 1.902 56 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 56 A C 2.000 179.603 177.584 0.031 0.000 1.181 56 A CA 1.722 53.780 52.037 0.035 0.000 0.623 56 A CB -0.491 18.540 19.000 0.051 0.000 0.818 56 A HN 0.551 nan 8.150 nan 0.000 0.443 57 K N -0.639 119.775 120.400 0.023 0.000 2.228 57 K HA -0.166 4.153 4.320 -0.000 0.000 0.205 57 K C 1.356 177.966 176.600 0.015 0.000 1.045 57 K CA 1.739 58.036 56.287 0.016 0.000 0.931 57 K CB -0.359 32.147 32.500 0.011 0.000 0.727 57 K HN 0.751 nan 8.250 nan 0.000 0.458 58 T N -4.170 110.395 114.554 0.018 0.000 3.170 58 T HA 0.407 4.756 4.350 -0.000 0.000 0.288 58 T C 1.515 176.231 174.700 0.027 0.000 0.992 58 T CA 0.112 62.224 62.100 0.020 0.000 0.909 58 T CB 0.743 69.620 68.868 0.014 0.000 1.133 58 T HN 0.080 nan 8.240 nan 0.000 0.530 59 A N 1.712 124.550 122.820 0.030 0.000 1.940 59 A HA 0.080 4.400 4.320 -0.000 0.000 0.219 59 A C 2.081 179.698 177.584 0.055 0.000 1.176 59 A CA 1.408 53.461 52.037 0.027 0.000 0.631 59 A CB -0.773 18.241 19.000 0.023 0.000 0.814 59 A HN 0.533 nan 8.150 nan 0.000 0.446 60 I N 0.369 120.989 120.570 0.083 0.000 2.264 60 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 60 I C 1.365 177.579 176.117 0.163 0.000 1.111 60 I CA 2.020 63.404 61.300 0.141 0.000 1.382 60 I CB -0.226 37.843 38.000 0.114 0.000 1.060 60 I HN 0.307 nan 8.210 nan 0.000 0.418 61 D N 0.122 120.579 120.400 0.096 0.000 2.277 61 D HA -0.096 4.544 4.640 -0.000 0.000 0.208 61 D C 1.906 178.254 176.300 0.080 0.000 0.962 61 D CA 0.792 54.843 54.000 0.086 0.000 0.865 61 D CB 0.020 40.848 40.800 0.047 0.000 0.939 61 D HN 0.469 nan 8.370 nan 0.000 0.510 62 K N 0.176 120.610 120.400 0.056 0.000 2.361 62 K HA 0.159 4.479 4.320 -0.000 0.000 0.196 62 K C 0.923 177.532 176.600 0.015 0.000 1.039 62 K CA -0.041 56.264 56.287 0.029 0.000 1.001 62 K CB 0.929 33.432 32.500 0.005 0.000 0.795 62 K HN 0.068 nan 8.250 nan 0.000 0.495 63 I N 2.519 123.097 120.570 0.013 0.000 2.556 63 I HA -0.075 4.095 4.170 -0.000 0.000 0.284 63 I C 0.120 176.190 176.117 -0.080 0.000 1.114 63 I CA -0.159 61.085 61.300 -0.094 0.000 1.418 63 I CB 0.425 38.299 38.000 -0.210 0.000 1.394 63 I HN 0.006 nan 8.210 nan 0.000 0.552 64 D N 6.427 126.760 120.400 -0.111 0.000 2.393 64 D HA 0.103 4.743 4.640 -0.000 0.000 0.232 64 D C 0.618 176.871 176.300 -0.078 0.000 1.192 64 D CA -0.029 53.957 54.000 -0.023 0.000 0.882 64 D CB 0.422 41.212 40.800 -0.018 0.000 1.038 64 D HN 0.261 nan 8.370 nan 0.000 0.499 65 F N 1.389 121.348 119.950 0.014 0.000 2.293 65 F HA -0.073 4.454 4.527 -0.000 0.000 0.300 65 F C 2.072 177.879 175.800 0.012 0.000 1.086 65 F CA 0.692 58.701 58.000 0.015 0.000 1.375 65 F CB 0.171 39.178 39.000 0.012 0.000 1.045 65 F HN 0.383 nan 8.300 nan 0.000 0.516 66 D N -0.070 120.421 120.400 0.152 0.000 2.137 66 D HA -0.086 4.554 4.640 -0.000 0.000 0.202 66 D C 2.393 178.720 176.300 0.045 0.000 0.970 66 D CA 1.255 55.309 54.000 0.090 0.000 0.837 66 D CB -0.269 40.573 40.800 0.070 0.000 0.981 66 D HN 0.258 nan 8.370 nan 0.000 0.475 67 A N 1.326 124.158 122.820 0.020 0.000 1.877 67 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 67 A C 2.196 179.768 177.584 -0.020 0.000 1.186 67 A CA 0.944 52.977 52.037 -0.006 0.000 0.620 67 A CB -0.766 18.219 19.000 -0.025 0.000 0.822 67 A HN 0.180 nan 8.150 nan 0.000 0.443 68 L N -0.249 120.944 121.223 -0.050 0.000 2.012 68 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 68 L C 2.762 179.623 176.870 -0.015 0.000 1.073 68 L CA 2.239 57.039 54.840 -0.066 0.000 0.748 68 L CB -0.777 41.179 42.059 -0.173 0.000 0.891 68 L HN 0.375 nan 8.230 nan 0.000 0.431 69 A N -1.878 120.957 122.820 0.025 0.000 1.877 69 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 69 A C 2.263 179.863 177.584 0.028 0.000 1.186 69 A CA 2.291 54.352 52.037 0.039 0.000 0.620 69 A CB -1.214 17.826 19.000 0.067 0.000 0.822 69 A HN 0.491 nan 8.150 nan 0.000 0.443 70 T N 0.502 115.071 114.554 0.025 0.000 2.684 70 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 70 T C 2.208 176.917 174.700 0.015 0.000 1.036 70 T CA 1.827 63.940 62.100 0.021 0.000 1.148 70 T CB -0.530 68.348 68.868 0.017 0.000 0.863 70 T HN 0.608 nan 8.240 nan 0.000 0.436 71 A N 1.183 124.007 122.820 0.006 0.000 1.933 71 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 71 A C 2.552 180.142 177.584 0.009 0.000 1.175 71 A CA 2.036 54.074 52.037 0.002 0.000 0.628 71 A CB -1.241 17.752 19.000 -0.012 0.000 0.814 71 A HN 0.481 nan 8.150 nan 0.000 0.444 72 T N -0.170 114.389 114.554 0.007 0.000 2.720 72 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 72 T C 1.957 176.680 174.700 0.038 0.000 1.037 72 T CA 1.520 63.626 62.100 0.010 0.000 1.144 72 T CB -0.633 68.231 68.868 -0.007 0.000 0.864 72 T HN 0.600 nan 8.240 nan 0.000 0.444 73 G N 0.992 109.816 108.800 0.040 0.000 2.448 73 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.219 73 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.219 73 G C 1.421 176.350 174.900 0.048 0.000 1.127 73 G CA 0.488 45.618 45.100 0.050 0.000 0.766 73 G HN 0.458 nan 8.290 nan 0.000 0.552 74 L N -0.059 121.186 121.223 0.038 0.000 2.249 74 L HA 0.217 4.557 4.340 -0.000 0.000 0.207 74 L C 3.161 180.057 176.870 0.043 0.000 1.090 74 L CA 0.755 55.616 54.840 0.034 0.000 0.802 74 L CB -0.181 41.892 42.059 0.023 0.000 0.947 74 L HN 0.249 nan 8.230 nan 0.000 0.453 75 A N -0.341 122.507 122.820 0.047 0.000 2.021 75 A HA 0.250 4.570 4.320 -0.000 0.000 0.216 75 A C 1.902 179.545 177.584 0.100 0.000 1.163 75 A CA 1.099 53.171 52.037 0.058 0.000 0.676 75 A CB -0.312 18.713 19.000 0.041 0.000 0.818 75 A HN 0.501 nan 8.150 nan 0.000 0.453 76 G N -0.830 108.043 108.800 0.122 0.000 2.176 76 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.232 76 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.232 76 G C -0.093 174.984 174.900 0.295 0.000 0.986 76 G CA 0.774 46.008 45.100 0.222 0.000 0.643 76 G HN 1.605 nan 8.290 nan 0.000 0.522 77 N N -1.651 117.120 118.700 0.118 0.000 2.859 77 N HA 0.524 5.264 4.740 -0.000 0.000 0.250 77 N C 0.583 176.015 175.510 -0.129 0.000 1.341 77 N CA -0.472 52.535 53.050 -0.073 0.000 0.881 77 N CB 0.162 38.600 38.487 -0.082 0.000 1.516 77 N HN -0.004 nan 8.380 nan 0.000 0.503 78 I N 0.037 120.438 120.570 -0.282 0.000 2.439 78 I HA -0.037 4.133 4.170 -0.000 0.000 0.251 78 I C 2.291 178.344 176.117 -0.107 0.000 1.139 78 I CA 1.193 62.373 61.300 -0.199 0.000 1.438 78 I CB -0.462 37.361 38.000 -0.294 0.000 1.085 78 I HN 0.784 nan 8.210 nan 0.000 0.427 79 A N 1.419 124.167 122.820 -0.120 0.000 1.902 79 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 79 A C 2.310 179.932 177.584 0.064 0.000 1.181 79 A CA 1.480 53.520 52.037 0.005 0.000 0.623 79 A CB -0.754 18.253 19.000 0.011 0.000 0.818 79 A HN 0.343 nan 8.150 nan 0.000 0.443 80 I N -0.062 120.515 120.570 0.012 0.000 2.127 80 I HA -0.199 3.971 4.170 -0.000 0.000 0.241 80 I C -0.586 175.516 176.117 -0.025 0.000 1.075 80 I CA 1.740 63.033 61.300 -0.012 0.000 1.334 80 I CB -0.963 37.045 38.000 0.013 0.000 1.040 80 I HN 0.240 nan 8.210 nan 0.000 0.405 81 P HA -0.148 nan 4.420 nan 0.000 0.222 81 P C 1.563 178.844 177.300 -0.031 0.000 1.153 81 P CA 1.072 64.156 63.100 -0.027 0.000 0.798 81 P CB -0.103 31.585 31.700 -0.020 0.000 0.796 82 F N 0.288 120.152 119.950 -0.144 0.000 2.146 82 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 82 F C 1.872 177.584 175.800 -0.146 0.000 1.096 82 F CA 1.247 59.153 58.000 -0.156 0.000 1.275 82 F CB -0.960 37.949 39.000 -0.152 0.000 1.008 82 F HN -0.322 nan 8.300 nan 0.000 0.480 83 V N 1.588 121.301 119.914 -0.334 0.000 2.287 83 V HA -0.308 3.811 4.120 -0.000 0.000 0.248 83 V C 2.582 178.468 176.094 -0.346 0.000 1.053 83 V CA 2.068 64.093 62.300 -0.458 0.000 1.027 83 V CB -0.685 30.882 31.823 -0.425 0.000 0.646 83 V HN 0.264 nan 8.190 nan 0.000 0.447 84 K N -0.084 120.182 120.400 -0.224 0.000 2.001 84 K HA -0.244 4.076 4.320 -0.000 0.000 0.214 84 K C 2.126 178.612 176.600 -0.191 0.000 1.050 84 K CA 1.798 57.988 56.287 -0.162 0.000 0.934 84 K CB -0.685 31.750 32.500 -0.109 0.000 0.718 84 K HN 0.552 nan 8.250 nan 0.000 0.443 85 Q N 0.320 119.985 119.800 -0.225 0.000 2.096 85 Q HA -0.152 4.187 4.340 -0.000 0.000 0.204 85 Q C 2.212 178.055 176.000 -0.262 0.000 0.982 85 Q CA 1.135 56.807 55.803 -0.219 0.000 0.850 85 Q CB -0.227 28.383 28.738 -0.214 0.000 0.901 85 Q HN 0.144 nan 8.270 nan 0.000 0.422 86 L N 0.310 121.278 121.223 -0.425 0.000 2.141 86 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 86 L C 2.091 178.829 176.870 -0.221 0.000 1.094 86 L CA 1.735 56.347 54.840 -0.381 0.000 0.763 86 L CB -0.520 41.170 42.059 -0.614 0.000 0.908 86 L HN 0.091 nan 8.230 nan 0.000 0.437 87 T N -0.272 114.159 114.554 -0.204 0.000 2.737 87 T HA -0.123 4.227 4.350 -0.000 0.000 0.265 87 T C 1.925 176.570 174.700 -0.091 0.000 1.038 87 T CA 1.312 63.343 62.100 -0.116 0.000 1.144 87 T CB -0.518 68.292 68.868 -0.097 0.000 0.866 87 T HN 0.506 nan 8.240 nan 0.000 0.434 88 A N 1.113 123.872 122.820 -0.100 0.000 1.940 88 A HA -0.063 4.256 4.320 -0.000 0.000 0.219 88 A C 2.285 179.829 177.584 -0.066 0.000 1.176 88 A CA 1.312 53.304 52.037 -0.075 0.000 0.631 88 A CB -0.862 18.092 19.000 -0.076 0.000 0.814 88 A HN 0.539 nan 8.150 nan 0.000 0.446 89 I N -0.708 119.813 120.570 -0.082 0.000 2.226 89 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 89 I C 2.227 178.318 176.117 -0.042 0.000 1.100 89 I CA 1.040 62.304 61.300 -0.061 0.000 1.374 89 I CB -0.183 37.775 38.000 -0.072 0.000 1.057 89 I HN 0.157 nan 8.210 nan 0.000 0.413 90 V N 0.655 120.543 119.914 -0.044 0.000 2.667 90 V HA -0.225 3.895 4.120 -0.000 0.000 0.252 90 V C 2.443 178.527 176.094 -0.016 0.000 1.065 90 V CA 1.452 63.739 62.300 -0.021 0.000 1.083 90 V CB -0.545 31.271 31.823 -0.012 0.000 0.692 90 V HN 0.365 nan 8.190 nan 0.000 0.468 91 K N 0.104 120.488 120.400 -0.027 0.000 2.026 91 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 91 K C 1.402 177.991 176.600 -0.019 0.000 1.048 91 K CA 1.603 57.876 56.287 -0.024 0.000 0.929 91 K CB -0.196 32.285 32.500 -0.033 0.000 0.713 91 K HN 0.350 nan 8.250 nan 0.000 0.439 92 D N -0.332 120.055 120.400 -0.021 0.000 2.389 92 D HA -0.070 4.570 4.640 -0.000 0.000 0.250 92 D C 0.522 176.816 176.300 -0.011 0.000 1.136 92 D CA 0.444 54.434 54.000 -0.016 0.000 0.945 92 D CB 0.425 41.214 40.800 -0.018 0.000 0.890 92 D HN 0.327 nan 8.370 nan 0.000 0.525 93 A N -0.485 122.330 122.820 -0.009 0.000 2.263 93 A HA 0.137 4.457 4.320 -0.000 0.000 0.200 93 A C 0.187 177.771 177.584 -0.000 0.000 1.428 93 A CA -0.143 51.892 52.037 -0.004 0.000 1.050 93 A CB 1.187 20.186 19.000 -0.002 0.000 1.226 93 A HN 0.043 nan 8.150 nan 0.000 0.501 94 D N -0.405 119.995 120.400 -0.000 0.000 2.227 94 D HA 0.041 4.681 4.640 -0.000 0.000 0.176 94 D C -0.074 176.228 176.300 0.003 0.000 1.228 94 D CA -0.084 53.919 54.000 0.004 0.000 1.043 94 D CB -0.027 40.780 40.800 0.013 0.000 1.758 94 D HN 0.204 nan 8.370 nan 0.000 0.544 95 E N 1.046 121.242 120.200 -0.006 0.000 2.333 95 E HA -0.177 4.173 4.350 -0.000 0.000 0.200 95 E C 0.887 177.477 176.600 -0.017 0.000 1.010 95 E CA 0.822 57.212 56.400 -0.015 0.000 0.841 95 E CB 0.468 30.157 29.700 -0.019 0.000 0.757 95 E HN 0.437 nan 8.360 nan 0.000 0.508 96 D N -0.314 120.088 120.400 0.004 0.000 2.216 96 D HA 0.023 4.663 4.640 -0.000 0.000 0.208 96 D C 1.932 178.281 176.300 0.081 0.000 0.960 96 D CA 0.702 54.715 54.000 0.022 0.000 0.861 96 D CB 0.218 41.043 40.800 0.042 0.000 0.985 96 D HN 0.128 nan 8.370 nan 0.000 0.493 97 A N 1.258 124.136 122.820 0.095 0.000 1.969 97 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 97 A C 2.291 179.952 177.584 0.129 0.000 1.169 97 A CA 1.688 53.822 52.037 0.163 0.000 0.635 97 A CB -0.494 18.559 19.000 0.087 0.000 0.810 97 A HN 0.232 nan 8.150 nan 0.000 0.445 98 A N 0.046 122.886 122.820 0.034 0.000 2.032 98 A HA -0.220 4.100 4.320 -0.000 0.000 0.221 98 A C 2.147 179.696 177.584 -0.059 0.000 1.165 98 A CA 1.690 53.722 52.037 -0.007 0.000 0.645 98 A CB -0.470 18.512 19.000 -0.029 0.000 0.807 98 A HN 0.586 nan 8.150 nan 0.000 0.453 99 R N -2.138 118.253 120.500 -0.182 0.000 2.189 99 R HA -0.077 4.263 4.340 -0.000 0.000 0.223 99 R C 0.840 176.849 176.300 -0.485 0.000 1.092 99 R CA 1.261 57.125 56.100 -0.393 0.000 0.989 99 R CB -0.241 29.669 30.300 -0.650 0.000 0.876 99 R HN 0.707 nan 8.270 nan 0.000 0.457 100 Y N -0.490 119.792 120.300 -0.030 0.000 2.457 100 Y HA 0.145 4.695 4.550 -0.000 0.000 0.263 100 Y C 0.436 176.416 175.900 0.134 0.000 1.164 100 Y CA -0.489 57.612 58.100 0.001 0.000 1.274 100 Y CB 0.458 38.874 38.460 -0.074 0.000 1.097 100 Y HN -0.254 nan 8.280 nan 0.000 0.523 101 V N 1.287 121.318 119.914 0.195 0.000 2.521 101 V HA -0.051 4.069 4.120 -0.000 0.000 0.286 101 V C 0.556 176.822 176.094 0.286 0.000 1.034 101 V CA 0.298 62.711 62.300 0.189 0.000 1.045 101 V CB -0.004 31.869 31.823 0.084 0.000 0.974 101 V HN 0.645 nan 8.190 nan 0.000 0.480 102 H N 2.128 121.285 119.070 0.144 0.000 2.903 102 H HA -0.212 4.344 4.556 -0.000 0.000 0.285 102 H C 0.015 175.421 175.328 0.130 0.000 1.231 102 H CA 0.745 56.859 56.048 0.110 0.000 1.135 102 H CB -1.071 28.731 29.762 0.068 0.000 1.328 102 H HN 0.803 nan 8.280 nan 0.000 0.388 103 W N 1.349 122.649 121.300 -0.000 0.000 2.489 103 W HA 0.325 4.985 4.660 -0.000 0.000 0.327 103 W C 1.133 177.589 176.519 -0.106 0.000 1.436 103 W CA 1.020 58.354 57.345 -0.018 0.000 1.315 103 W CB -0.238 29.269 29.460 0.078 0.000 1.373 103 W HN 0.746 nan 8.180 nan 0.000 0.557 104 G N 3.504 111.656 108.800 -1.080 0.000 2.212 104 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.266 104 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.266 104 G C 0.092 174.655 174.900 -0.560 0.000 0.978 104 G CA 0.253 44.796 45.100 -0.928 0.000 0.632 104 G HN 1.031 nan 8.290 nan 0.000 0.537 105 A N -0.793 121.669 122.820 -0.597 0.000 2.264 105 A HA 0.884 5.204 4.320 -0.000 0.000 0.304 105 A C 0.420 177.742 177.584 -0.436 0.000 1.100 105 A CA 0.948 52.666 52.037 -0.531 0.000 0.839 105 A CB 1.280 19.919 19.000 -0.603 0.000 1.121 105 A HN 1.181 nan 8.150 nan 0.000 0.496 106 T N -1.141 113.300 114.554 -0.188 0.000 2.940 106 T HA 0.414 4.764 4.350 -0.000 0.000 0.288 106 T C 1.399 176.156 174.700 0.096 0.000 1.045 106 T CA 0.210 62.295 62.100 -0.025 0.000 1.018 106 T CB 1.186 70.004 68.868 -0.083 0.000 1.151 106 T HN 0.566 nan 8.240 nan 0.000 0.529 107 S N 1.055 116.848 115.700 0.155 0.000 2.372 107 S HA -0.200 4.270 4.470 -0.000 0.000 0.227 107 S C 1.909 176.601 174.600 0.153 0.000 1.044 107 S CA 1.918 60.226 58.200 0.179 0.000 1.050 107 S CB -0.456 62.854 63.200 0.184 0.000 0.901 107 S HN 0.794 nan 8.310 nan 0.000 0.447 108 Q N 0.628 120.444 119.800 0.028 0.000 2.226 108 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 108 Q C 1.217 177.195 176.000 -0.037 0.000 0.975 108 Q CA 1.379 57.144 55.803 -0.063 0.000 0.866 108 Q CB -0.082 28.200 28.738 -0.760 0.000 0.915 108 Q HN 0.462 nan 8.270 nan 0.000 0.440 109 D N 0.456 120.849 120.400 -0.011 0.000 2.097 109 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 109 D C 1.820 178.185 176.300 0.109 0.000 0.989 109 D CA 0.995 55.036 54.000 0.068 0.000 0.827 109 D CB -0.046 40.767 40.800 0.022 0.000 0.966 109 D HN 0.313 nan 8.370 nan 0.000 0.456 110 I N 0.846 121.495 120.570 0.132 0.000 2.252 110 I HA -0.148 4.022 4.170 -0.000 0.000 0.245 110 I C 2.601 178.761 176.117 0.071 0.000 1.102 110 I CA 0.642 62.029 61.300 0.144 0.000 1.385 110 I CB -1.047 37.069 38.000 0.193 0.000 1.064 110 I HN 0.027 nan 8.210 nan 0.000 0.414 111 L N 0.256 121.519 121.223 0.068 0.000 2.027 111 L HA -0.206 4.133 4.340 -0.000 0.000 0.206 111 L C 2.214 179.143 176.870 0.098 0.000 1.074 111 L CA 1.333 56.189 54.840 0.025 0.000 0.745 111 L CB -0.625 41.475 42.059 0.069 0.000 0.898 111 L HN 0.159 nan 8.230 nan 0.000 0.433 112 D N -0.738 119.753 120.400 0.152 0.000 2.144 112 D HA -0.136 4.504 4.640 -0.000 0.000 0.200 112 D C 2.195 178.569 176.300 0.124 0.000 0.978 112 D CA 1.373 55.450 54.000 0.127 0.000 0.833 112 D CB -0.137 40.609 40.800 -0.090 0.000 0.961 112 D HN 0.215 nan 8.370 nan 0.000 0.470 113 T N 0.285 114.906 114.554 0.112 0.000 2.777 113 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 113 T C 1.984 176.708 174.700 0.041 0.000 1.040 113 T CA 1.327 63.497 62.100 0.118 0.000 1.141 113 T CB -0.204 68.776 68.868 0.185 0.000 0.868 113 T HN 0.173 nan 8.240 nan 0.000 0.444 114 A N 0.410 123.239 122.820 0.016 0.000 1.933 114 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 114 A C 2.694 180.172 177.584 -0.176 0.000 1.175 114 A CA 1.554 53.548 52.037 -0.071 0.000 0.628 114 A CB -1.400 17.566 19.000 -0.057 0.000 0.814 114 A HN 0.638 nan 8.150 nan 0.000 0.444 115 C N -0.275 118.998 119.300 -0.044 0.000 2.413 115 C HA -0.100 4.360 4.460 -0.000 0.000 0.276 115 C C 2.454 177.436 174.990 -0.014 0.000 1.236 115 C CA 1.214 60.239 59.018 0.013 0.000 1.735 115 C CB -1.127 26.714 27.740 0.168 0.000 2.031 115 C HN 0.566 nan 8.230 nan 0.000 0.474 116 I N 0.976 121.577 120.570 0.050 0.000 2.361 116 I HA -0.132 4.038 4.170 -0.000 0.000 0.251 116 I C 2.426 178.482 176.117 -0.102 0.000 1.133 116 I CA 1.563 62.891 61.300 0.046 0.000 1.413 116 I CB -1.326 36.757 38.000 0.138 0.000 1.073 116 I HN 0.439 nan 8.210 nan 0.000 0.424 117 L N -0.193 120.902 121.223 -0.212 0.000 2.056 117 L HA -0.223 4.117 4.340 -0.000 0.000 0.207 117 L C 2.629 179.111 176.870 -0.646 0.000 1.078 117 L CA 1.229 55.864 54.840 -0.341 0.000 0.749 117 L CB -0.548 41.328 42.059 -0.305 0.000 0.901 117 L HN 0.275 nan 8.230 nan 0.000 0.433 118 Q N -0.891 118.361 119.800 -0.913 0.000 2.050 118 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 118 Q C 2.497 178.112 176.000 -0.642 0.000 0.980 118 Q CA 1.896 57.083 55.803 -1.027 0.000 0.840 118 Q CB -0.301 27.795 28.738 -1.069 0.000 0.898 118 Q HN 0.562 nan 8.270 nan 0.000 0.424 119 C N 0.184 119.281 119.300 -0.338 0.000 2.425 119 C HA -0.133 4.327 4.460 -0.000 0.000 0.277 119 C C 2.654 177.583 174.990 -0.102 0.000 1.280 119 C CA 0.721 59.643 59.018 -0.159 0.000 1.744 119 C CB -0.915 26.915 27.740 0.150 0.000 1.989 119 C HN 0.470 nan 8.230 nan 0.000 0.491 120 R N 0.961 121.392 120.500 -0.114 0.000 2.073 120 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 120 R C 1.642 177.901 176.300 -0.068 0.000 1.134 120 R CA 1.989 58.056 56.100 -0.056 0.000 0.952 120 R CB -0.318 29.951 30.300 -0.053 0.000 0.850 120 R HN 0.451 nan 8.270 nan 0.000 0.433 121 D N 0.020 120.338 120.400 -0.136 0.000 2.149 121 D HA -0.071 4.569 4.640 -0.000 0.000 0.201 121 D C 1.649 177.886 176.300 -0.105 0.000 0.972 121 D CA 1.454 55.398 54.000 -0.093 0.000 0.835 121 D CB -0.162 40.602 40.800 -0.060 0.000 0.966 121 D HN 0.391 nan 8.370 nan 0.000 0.476 122 A N 0.517 123.198 122.820 -0.231 0.000 2.014 122 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 122 A C 2.266 179.893 177.584 0.071 0.000 1.163 122 A CA 0.452 52.377 52.037 -0.186 0.000 0.652 122 A CB -0.554 18.104 19.000 -0.571 0.000 0.808 122 A HN 0.187 nan 8.150 nan 0.000 0.449 123 L N -0.817 120.486 121.223 0.132 0.000 2.093 123 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 123 L C 3.051 180.002 176.870 0.134 0.000 1.085 123 L CA 1.168 56.160 54.840 0.253 0.000 0.755 123 L CB -0.491 41.693 42.059 0.207 0.000 0.904 123 L HN 0.481 nan 8.230 nan 0.000 0.435 124 A N 0.297 123.161 122.820 0.072 0.000 1.877 124 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 124 A C 2.110 179.728 177.584 0.057 0.000 1.186 124 A CA 1.565 53.632 52.037 0.050 0.000 0.620 124 A CB -0.598 18.418 19.000 0.026 0.000 0.822 124 A HN 0.376 nan 8.150 nan 0.000 0.443 125 I N -0.660 119.947 120.570 0.061 0.000 2.179 125 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 125 I C 2.365 178.535 176.117 0.088 0.000 1.088 125 I CA 1.113 62.453 61.300 0.067 0.000 1.357 125 I CB -0.305 37.736 38.000 0.068 0.000 1.051 125 I HN 0.153 nan 8.210 nan 0.000 0.409 126 V N 0.526 120.521 119.914 0.135 0.000 2.343 126 V HA -0.330 3.790 4.120 -0.000 0.000 0.247 126 V C 2.476 178.620 176.094 0.083 0.000 1.051 126 V CA 2.142 64.524 62.300 0.136 0.000 1.036 126 V CB -0.641 31.305 31.823 0.206 0.000 0.654 126 V HN 0.526 nan 8.190 nan 0.000 0.451 127 Q N 0.240 120.087 119.800 0.079 0.000 2.084 127 Q HA -0.244 4.096 4.340 -0.000 0.000 0.202 127 Q C 2.256 178.273 176.000 0.028 0.000 0.978 127 Q CA 2.134 57.966 55.803 0.048 0.000 0.844 127 Q CB -0.327 28.440 28.738 0.048 0.000 0.898 127 Q HN 0.748 nan 8.270 nan 0.000 0.426 128 N N -0.595 118.125 118.700 0.033 0.000 2.188 128 N HA -0.197 4.543 4.740 -0.000 0.000 0.184 128 N C 1.706 177.219 175.510 0.005 0.000 1.018 128 N CA 1.173 54.236 53.050 0.022 0.000 0.858 128 N CB 0.067 38.570 38.487 0.025 0.000 0.989 128 N HN 0.414 nan 8.380 nan 0.000 0.426 129 Q N 0.138 119.943 119.800 0.008 0.000 2.084 129 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 129 Q C 2.248 178.194 176.000 -0.091 0.000 0.978 129 Q CA 1.218 57.010 55.803 -0.019 0.000 0.844 129 Q CB 0.097 28.844 28.738 0.014 0.000 0.898 129 Q HN 0.220 nan 8.270 nan 0.000 0.426 130 V N 0.847 120.711 119.914 -0.083 0.000 2.407 130 V HA -0.281 3.838 4.120 -0.000 0.000 0.248 130 V C 2.267 178.256 176.094 -0.176 0.000 1.055 130 V CA 1.953 64.142 62.300 -0.185 0.000 1.049 130 V CB -0.531 31.261 31.823 -0.053 0.000 0.662 130 V HN 0.329 nan 8.190 nan 0.000 0.455 131 Q N 0.346 120.116 119.800 -0.049 0.000 2.050 131 Q HA -0.239 4.100 4.340 -0.000 0.000 0.202 131 Q C 2.218 178.236 176.000 0.029 0.000 0.980 131 Q CA 2.012 57.837 55.803 0.037 0.000 0.840 131 Q CB -0.358 28.406 28.738 0.042 0.000 0.898 131 Q HN 0.695 nan 8.270 nan 0.000 0.424 132 Q N -1.226 118.557 119.800 -0.029 0.000 2.119 132 Q HA -0.130 4.210 4.340 -0.000 0.000 0.201 132 Q C 2.401 178.353 176.000 -0.081 0.000 0.972 132 Q CA 1.392 57.173 55.803 -0.036 0.000 0.847 132 Q CB -0.192 28.526 28.738 -0.034 0.000 0.903 132 Q HN 0.453 nan 8.270 nan 0.000 0.433 133 C N -0.163 119.007 119.300 -0.217 0.000 2.432 133 C HA -0.179 4.281 4.460 -0.000 0.000 0.277 133 C C 2.496 177.349 174.990 -0.228 0.000 1.249 133 C CA 0.657 59.445 59.018 -0.383 0.000 1.725 133 C CB -0.996 26.118 27.740 -1.044 0.000 2.028 133 C HN 0.550 nan 8.230 nan 0.000 0.477 134 Y N 1.951 122.045 120.300 -0.343 0.000 2.097 134 Y HA -0.201 4.348 4.550 -0.000 0.000 0.282 134 Y C 2.332 178.256 175.900 0.040 0.000 1.152 134 Y CA 2.027 60.114 58.100 -0.021 0.000 1.136 134 Y CB -0.829 37.640 38.460 0.014 0.000 0.975 134 Y HN 0.440 nan 8.280 nan 0.000 0.498 135 E N -0.941 119.244 120.200 -0.025 0.000 2.038 135 E HA -0.210 4.139 4.350 -0.000 0.000 0.195 135 E C 2.083 178.643 176.600 -0.067 0.000 1.000 135 E CA 2.208 58.534 56.400 -0.122 0.000 0.803 135 E CB -0.286 29.386 29.700 -0.047 0.000 0.750 135 E HN 0.458 nan 8.360 nan 0.000 0.448 136 T N 0.829 115.376 114.554 -0.012 0.000 2.720 136 T HA -0.178 4.171 4.350 -0.000 0.000 0.268 136 T C 1.961 176.705 174.700 0.074 0.000 1.037 136 T CA 1.270 63.385 62.100 0.023 0.000 1.144 136 T CB -0.255 68.630 68.868 0.027 0.000 0.864 136 T HN 0.257 nan 8.240 nan 0.000 0.444 137 A N 1.079 123.980 122.820 0.136 0.000 1.930 137 A HA 0.059 4.379 4.320 -0.000 0.000 0.217 137 A C 2.305 179.960 177.584 0.117 0.000 1.175 137 A CA 1.064 53.235 52.037 0.224 0.000 0.627 137 A CB -0.791 18.468 19.000 0.432 0.000 0.815 137 A HN 0.466 nan 8.150 nan 0.000 0.443 138 L N -0.522 120.705 121.223 0.007 0.000 2.046 138 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 138 L C 2.968 179.817 176.870 -0.036 0.000 1.077 138 L CA 1.592 56.392 54.840 -0.066 0.000 0.747 138 L CB -0.450 41.468 42.059 -0.235 0.000 0.896 138 L HN 0.534 nan 8.230 nan 0.000 0.432 139 S N -0.810 114.871 115.700 -0.031 0.000 2.368 139 S HA -0.204 4.266 4.470 -0.000 0.000 0.225 139 S C 2.015 176.616 174.600 0.002 0.000 1.030 139 S CA 1.135 59.321 58.200 -0.023 0.000 0.999 139 S CB -0.084 63.104 63.200 -0.021 0.000 0.844 139 S HN 0.395 nan 8.310 nan 0.000 0.459 140 Q N 0.576 120.413 119.800 0.061 0.000 2.172 140 Q HA 0.090 4.430 4.340 -0.000 0.000 0.200 140 Q C 2.566 178.658 176.000 0.153 0.000 0.964 140 Q CA 1.233 57.122 55.803 0.144 0.000 0.855 140 Q CB -0.715 28.155 28.738 0.221 0.000 0.918 140 Q HN 0.709 nan 8.270 nan 0.000 0.444 141 A N 1.122 123.994 122.820 0.087 0.000 1.933 141 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 141 A C 2.091 179.680 177.584 0.007 0.000 1.175 141 A CA 1.804 53.872 52.037 0.050 0.000 0.628 141 A CB -0.530 18.483 19.000 0.020 0.000 0.814 141 A HN 0.402 nan 8.150 nan 0.000 0.444 142 Q N -0.934 118.851 119.800 -0.025 0.000 2.046 142 Q HA -0.132 4.208 4.340 -0.000 0.000 0.200 142 Q C 2.021 177.956 176.000 -0.110 0.000 0.975 142 Q CA 2.021 57.785 55.803 -0.066 0.000 0.836 142 Q CB -0.287 28.417 28.738 -0.057 0.000 0.896 142 Q HN 0.575 nan 8.270 nan 0.000 0.428 143 T N -0.239 114.220 114.554 -0.159 0.000 2.803 143 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 143 T C 0.242 174.659 174.700 -0.472 0.000 1.052 143 T CA 1.371 63.257 62.100 -0.358 0.000 1.136 143 T CB -0.159 68.380 68.868 -0.548 0.000 0.864 143 T HN 0.372 nan 8.240 nan 0.000 0.467 144 Y N 0.451 120.734 120.300 -0.028 0.000 2.696 144 Y HA 0.302 4.852 4.550 -0.000 0.000 0.260 144 Y C 1.725 177.579 175.900 -0.076 0.000 1.165 144 Y CA -1.091 56.993 58.100 -0.026 0.000 1.189 144 Y CB -0.212 38.240 38.460 -0.012 0.000 1.180 144 Y HN 0.154 nan 8.280 nan 0.000 0.538 145 R N -1.270 119.189 120.500 -0.069 0.000 2.241 145 R HA -0.119 4.221 4.340 -0.000 0.000 0.224 145 R C 0.279 176.403 176.300 -0.294 0.000 1.101 145 R CA 2.025 58.000 56.100 -0.207 0.000 0.995 145 R CB -0.735 29.364 30.300 -0.336 0.000 0.870 145 R HN 0.412 nan 8.270 nan 0.000 0.463 146 H N -1.053 118.055 119.070 0.062 0.000 2.652 146 H HA 0.145 4.700 4.556 -0.000 0.000 0.274 146 H C -0.152 175.224 175.328 0.080 0.000 1.021 146 H CA -0.530 55.550 56.048 0.053 0.000 1.187 146 H CB 0.589 30.372 29.762 0.035 0.000 1.505 146 H HN 0.078 nan 8.280 nan 0.000 0.530 147 Q N 2.235 122.146 119.800 0.184 0.000 2.381 147 Q HA 0.116 4.455 4.340 -0.000 0.000 0.243 147 Q C -0.715 175.352 176.000 0.112 0.000 1.154 147 Q CA -0.192 55.717 55.803 0.176 0.000 0.899 147 Q CB -0.161 28.715 28.738 0.229 0.000 1.396 147 Q HN 0.142 nan 8.270 nan 0.000 0.485 148 V N 6.537 126.518 119.914 0.112 0.000 2.740 148 V HA 0.292 4.412 4.120 -0.000 0.000 0.303 148 V C 0.506 176.641 176.094 0.068 0.000 1.054 148 V CA 0.492 62.843 62.300 0.086 0.000 1.106 148 V CB 0.149 32.031 31.823 0.098 0.000 0.957 148 V HN 0.992 nan 8.190 nan 0.000 0.486 149 M N 3.446 123.072 119.600 0.044 0.000 2.949 149 M HA 0.617 5.097 4.480 -0.000 0.000 0.270 149 M C -1.503 174.809 176.300 0.020 0.000 1.221 149 M CA -0.973 54.344 55.300 0.028 0.000 0.818 149 M CB 2.053 34.661 32.600 0.012 0.000 1.635 149 M HN 0.243 nan 8.290 nan 0.000 0.492 150 M N 1.995 121.602 119.600 0.012 0.000 2.211 150 M HA 0.431 4.911 4.480 -0.000 0.000 0.356 150 M C 0.410 176.721 176.300 0.019 0.000 1.216 150 M CA -0.050 55.258 55.300 0.013 0.000 1.134 150 M CB 0.575 33.176 32.600 0.003 0.000 1.564 150 M HN 0.908 nan 8.290 nan 0.000 0.463 151 G N 3.359 112.175 108.800 0.027 0.000 2.395 151 G HA2 0.601 4.561 3.960 -0.000 0.000 0.283 151 G HA3 0.601 4.561 3.960 -0.000 0.000 0.283 151 G C -0.477 174.447 174.900 0.040 0.000 1.178 151 G CA -0.667 44.453 45.100 0.034 0.000 0.837 151 G HN 0.678 nan 8.290 nan 0.000 0.518 152 R N 0.462 120.990 120.500 0.046 0.000 2.513 152 R HA 0.547 4.887 4.340 -0.000 0.000 0.301 152 R C -0.611 175.740 176.300 0.084 0.000 0.968 152 R CA -0.669 55.467 56.100 0.059 0.000 0.872 152 R CB 2.134 32.462 30.300 0.046 0.000 1.177 152 R HN 0.667 nan 8.270 nan 0.000 0.444 153 T N -1.565 113.072 114.554 0.138 0.000 2.824 153 T HA 0.324 4.674 4.350 -0.000 0.000 0.282 153 T C -0.338 174.603 174.700 0.402 0.000 0.993 153 T CA -0.744 61.495 62.100 0.232 0.000 0.967 153 T CB 0.584 69.630 68.868 0.296 0.000 0.960 153 T HN 0.788 nan 8.240 nan 0.000 0.441 154 W N 2.084 123.381 121.300 -0.006 0.000 4.849 154 W HA -0.219 4.441 4.660 -0.000 0.000 0.358 154 W C 0.809 177.322 176.519 -0.010 0.000 1.331 154 W CA 0.191 57.531 57.345 -0.009 0.000 0.844 154 W CB -2.639 26.817 29.460 -0.008 0.000 2.434 154 W HN 0.860 nan 8.180 nan 0.000 1.458 155 L N -2.679 118.642 121.223 0.164 0.000 4.496 155 L HA -0.339 4.001 4.340 -0.000 0.000 0.419 155 L C 0.946 177.867 176.870 0.085 0.000 1.139 155 L CA 1.211 56.108 54.840 0.095 0.000 0.975 155 L CB -1.224 40.878 42.059 0.073 0.000 2.099 155 L HN 0.231 nan 8.230 nan 0.000 0.818 156 Q N 0.368 120.231 119.800 0.105 0.000 2.312 156 Q HA 0.425 4.765 4.340 -0.000 0.000 0.263 156 Q C -0.053 175.976 176.000 0.048 0.000 0.995 156 Q CA -0.455 55.384 55.803 0.060 0.000 0.853 156 Q CB 1.736 30.500 28.738 0.044 0.000 1.300 156 Q HN 0.217 nan 8.270 nan 0.000 0.448 157 Q N 0.392 120.205 119.800 0.020 0.000 2.315 157 Q HA 0.175 4.515 4.340 -0.000 0.000 0.289 157 Q C 0.009 176.019 176.000 0.017 0.000 1.044 157 Q CA 0.421 56.232 55.803 0.013 0.000 0.920 157 Q CB 0.765 29.496 28.738 -0.010 0.000 1.214 157 Q HN 0.809 nan 8.270 nan 0.000 0.392 158 A N 3.736 126.573 122.820 0.028 0.000 1.922 158 A HA 0.435 4.755 4.320 -0.000 0.000 0.192 158 A C -0.147 177.460 177.584 0.038 0.000 2.007 158 A CA 0.030 52.088 52.037 0.034 0.000 1.054 158 A CB 0.656 19.690 19.000 0.057 0.000 1.106 158 A HN 0.570 nan 8.150 nan 0.000 0.639 159 L N -0.199 121.053 121.223 0.049 0.000 2.415 159 L HA 0.457 4.797 4.340 -0.000 0.000 0.256 159 L C -2.845 174.057 176.870 0.053 0.000 1.010 159 L CA -2.312 52.570 54.840 0.070 0.000 0.826 159 L CB 2.444 44.561 42.059 0.096 0.000 1.405 159 L HN 0.080 nan 8.230 nan 0.000 0.410 160 P HA 0.289 nan 4.420 nan 0.000 0.272 160 P C -0.973 176.339 177.300 0.021 0.000 1.223 160 P CA 0.014 63.140 63.100 0.044 0.000 0.784 160 P CB 0.586 32.324 31.700 0.063 0.000 0.923 161 I N -2.159 118.422 120.570 0.018 0.000 3.550 161 I HA 0.781 4.951 4.170 -0.000 0.000 0.307 161 I C -0.747 175.378 176.117 0.014 0.000 1.178 161 I CA -1.029 60.273 61.300 0.004 0.000 1.001 161 I CB 2.065 40.094 38.000 0.049 0.000 1.360 161 I HN 0.313 nan 8.210 nan 0.000 0.477 162 T N -0.846 113.719 114.554 0.018 0.000 2.907 162 T HA 0.415 4.765 4.350 -0.000 0.000 0.292 162 T C 0.397 175.103 174.700 0.009 0.000 1.043 162 T CA -0.682 61.433 62.100 0.025 0.000 1.003 162 T CB 2.016 70.896 68.868 0.020 0.000 1.084 162 T HN 0.777 nan 8.240 nan 0.000 0.483 163 L N 2.556 123.774 121.223 -0.009 0.000 2.079 163 L HA 0.196 4.535 4.340 -0.000 0.000 0.210 163 L C 2.433 179.254 176.870 -0.081 0.000 1.081 163 L CA 2.622 57.416 54.840 -0.076 0.000 0.752 163 L CB -1.271 40.718 42.059 -0.116 0.000 0.896 163 L HN 0.980 nan 8.230 nan 0.000 0.433 164 G N -1.731 107.073 108.800 0.008 0.000 2.450 164 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.220 164 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.220 164 G C 1.655 176.541 174.900 -0.023 0.000 1.130 164 G CA 0.949 46.053 45.100 0.006 0.000 0.760 164 G HN 0.670 nan 8.290 nan 0.000 0.557 165 H N 0.563 119.552 119.070 -0.134 0.000 2.357 165 H HA 0.024 4.580 4.556 -0.000 0.000 0.301 165 H C 2.512 177.687 175.328 -0.256 0.000 1.082 165 H CA 1.291 57.249 56.048 -0.150 0.000 1.342 165 H CB 0.128 29.820 29.762 -0.115 0.000 1.389 165 H HN 0.290 nan 8.280 nan 0.000 0.511 166 K N 0.356 120.521 120.400 -0.392 0.000 2.032 166 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 166 K C 2.425 178.354 176.600 -1.117 0.000 1.048 166 K CA 1.283 57.094 56.287 -0.792 0.000 0.927 166 K CB -0.039 31.969 32.500 -0.820 0.000 0.712 166 K HN 0.267 nan 8.250 nan 0.000 0.441 167 L N 0.386 121.192 121.223 -0.696 0.000 2.083 167 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 167 L C 2.553 179.340 176.870 -0.138 0.000 1.083 167 L CA 1.101 55.724 54.840 -0.362 0.000 0.752 167 L CB -0.503 41.501 42.059 -0.091 0.000 0.899 167 L HN 0.217 nan 8.230 nan 0.000 0.433 168 A N -0.005 122.725 122.820 -0.150 0.000 1.930 168 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 168 A C 2.369 179.918 177.584 -0.059 0.000 1.175 168 A CA 1.287 53.297 52.037 -0.045 0.000 0.627 168 A CB -0.401 18.592 19.000 -0.012 0.000 0.815 168 A HN 0.288 nan 8.150 nan 0.000 0.443 169 R N -1.297 119.064 120.500 -0.232 0.000 2.091 169 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 169 R C 1.991 178.321 176.300 0.051 0.000 1.136 169 R CA 1.721 57.718 56.100 -0.172 0.000 0.959 169 R CB -0.294 29.809 30.300 -0.327 0.000 0.856 169 R HN 0.747 nan 8.270 nan 0.000 0.437 170 W N 0.181 121.434 121.300 -0.078 0.000 2.388 170 W HA 0.063 4.723 4.660 -0.000 0.000 0.294 170 W C 2.351 178.836 176.519 -0.058 0.000 1.212 170 W CA 0.459 57.720 57.345 -0.140 0.000 1.271 170 W CB -1.104 28.319 29.460 -0.062 0.000 1.126 170 W HN 0.188 nan 8.180 nan 0.000 0.535 171 A N 0.100 123.150 122.820 0.384 0.000 1.858 171 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 171 A C 2.275 180.136 177.584 0.461 0.000 1.190 171 A CA 2.602 54.960 52.037 0.535 0.000 0.617 171 A CB -1.333 17.886 19.000 0.367 0.000 0.827 171 A HN 0.170 nan 8.150 nan 0.000 0.443 172 S N -0.580 115.278 115.700 0.264 0.000 2.400 172 S HA -0.047 4.423 4.470 -0.000 0.000 0.232 172 S C 2.079 176.723 174.600 0.073 0.000 1.025 172 S CA 1.545 59.846 58.200 0.169 0.000 0.993 172 S CB -0.452 62.807 63.200 0.098 0.000 0.808 172 S HN 0.800 nan 8.310 nan 0.000 0.478 173 A N 0.337 123.172 122.820 0.025 0.000 1.898 173 A HA 0.100 4.420 4.320 -0.000 0.000 0.216 173 A C 1.795 179.347 177.584 -0.053 0.000 1.181 173 A CA 1.215 53.209 52.037 -0.072 0.000 0.620 173 A CB -0.897 17.997 19.000 -0.176 0.000 0.819 173 A HN 0.571 nan 8.150 nan 0.000 0.442 174 F N 0.700 120.667 119.950 0.028 0.000 2.171 174 F HA -0.129 4.398 4.527 -0.000 0.000 0.300 174 F C 2.279 177.920 175.800 -0.264 0.000 1.090 174 F CA 1.673 59.643 58.000 -0.050 0.000 1.293 174 F CB -0.424 38.614 39.000 0.064 0.000 1.013 174 F HN 0.351 nan 8.300 nan 0.000 0.486 175 K N 0.907 121.166 120.400 -0.236 0.000 2.057 175 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 175 K C 1.961 178.453 176.600 -0.179 0.000 1.049 175 K CA 1.508 57.504 56.287 -0.486 0.000 0.931 175 K CB -0.397 31.832 32.500 -0.451 0.000 0.714 175 K HN 0.095 nan 8.250 nan 0.000 0.440 176 R N 0.458 120.911 120.500 -0.078 0.000 2.152 176 R HA -0.076 4.264 4.340 -0.000 0.000 0.232 176 R C 1.515 177.795 176.300 -0.032 0.000 1.117 176 R CA 1.414 57.488 56.100 -0.044 0.000 0.981 176 R CB -0.289 29.995 30.300 -0.027 0.000 0.870 176 R HN 0.403 nan 8.270 nan 0.000 0.451 177 D N 0.536 120.930 120.400 -0.011 0.000 2.117 177 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 177 D C 1.825 178.122 176.300 -0.006 0.000 0.982 177 D CA 0.806 54.815 54.000 0.015 0.000 0.828 177 D CB -0.013 40.841 40.800 0.090 0.000 0.967 177 D HN 0.022 nan 8.370 nan 0.000 0.464 178 L N 1.421 122.618 121.223 -0.042 0.000 2.083 178 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 178 L C 1.724 178.571 176.870 -0.038 0.000 1.083 178 L CA 1.611 56.419 54.840 -0.053 0.000 0.752 178 L CB -0.880 41.105 42.059 -0.122 0.000 0.899 178 L HN -0.055 nan 8.230 nan 0.000 0.433 179 D N -0.936 119.437 120.400 -0.044 0.000 2.117 179 D HA -0.137 4.502 4.640 -0.000 0.000 0.198 179 D C 2.365 178.655 176.300 -0.018 0.000 0.982 179 D CA 0.875 54.858 54.000 -0.027 0.000 0.828 179 D CB -0.025 40.758 40.800 -0.027 0.000 0.967 179 D HN 0.261 nan 8.370 nan 0.000 0.464 180 R N 0.210 120.700 120.500 -0.017 0.000 2.081 180 R HA -0.023 4.317 4.340 -0.000 0.000 0.235 180 R C 2.552 178.846 176.300 -0.010 0.000 1.131 180 R CA 0.681 56.773 56.100 -0.014 0.000 0.960 180 R CB -0.263 30.029 30.300 -0.014 0.000 0.856 180 R HN 0.229 nan 8.270 nan 0.000 0.436 181 I N 1.210 121.777 120.570 -0.005 0.000 2.179 181 I HA -0.306 3.864 4.170 -0.000 0.000 0.242 181 I C 1.802 177.922 176.117 0.005 0.000 1.088 181 I CA 1.179 62.483 61.300 0.005 0.000 1.357 181 I CB -0.361 37.649 38.000 0.017 0.000 1.051 181 I HN 0.215 nan 8.210 nan 0.000 0.409 182 N N 1.076 119.776 118.700 0.000 0.000 2.188 182 N HA -0.109 4.631 4.740 -0.000 0.000 0.184 182 N C 1.835 177.342 175.510 -0.005 0.000 1.018 182 N CA 1.532 54.582 53.050 0.000 0.000 0.858 182 N CB -0.277 38.210 38.487 -0.000 0.000 0.989 182 N HN 0.335 nan 8.380 nan 0.000 0.426 183 A N 1.221 124.036 122.820 -0.009 0.000 2.067 183 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 183 A C 2.092 179.665 177.584 -0.018 0.000 1.158 183 A CA 0.706 52.735 52.037 -0.013 0.000 0.661 183 A CB -0.542 18.450 19.000 -0.014 0.000 0.801 183 A HN 0.480 nan 8.150 nan 0.000 0.452 184 I N -4.455 116.104 120.570 -0.018 0.000 3.645 184 I HA 0.125 4.295 4.170 -0.000 0.000 0.300 184 I C 1.726 177.826 176.117 -0.027 0.000 1.260 184 I CA 0.511 61.795 61.300 -0.027 0.000 1.365 184 I CB -0.100 37.884 38.000 -0.026 0.000 1.077 184 I HN -0.019 nan 8.210 nan 0.000 0.439 185 K N 2.211 122.602 120.400 -0.014 0.000 2.034 185 K HA -0.194 4.126 4.320 -0.000 0.000 0.214 185 K C 2.346 178.930 176.600 -0.026 0.000 1.051 185 K CA 2.285 58.565 56.287 -0.011 0.000 0.931 185 K CB -0.418 32.082 32.500 -0.001 0.000 0.715 185 K HN 0.530 nan 8.250 nan 0.000 0.446 186 A N 1.180 123.983 122.820 -0.029 0.000 1.933 186 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 186 A C 2.086 179.634 177.584 -0.059 0.000 1.175 186 A CA 1.752 53.767 52.037 -0.036 0.000 0.628 186 A CB -0.449 18.534 19.000 -0.029 0.000 0.814 186 A HN 0.295 nan 8.150 nan 0.000 0.444 187 R N -1.181 119.276 120.500 -0.071 0.000 2.153 187 R HA 0.073 4.413 4.340 -0.000 0.000 0.218 187 R C 1.475 177.677 176.300 -0.162 0.000 1.072 187 R CA 1.300 57.336 56.100 -0.108 0.000 0.990 187 R CB -0.055 30.189 30.300 -0.094 0.000 0.889 187 R HN 0.278 nan 8.270 nan 0.000 0.452 188 V N 0.518 120.355 119.914 -0.128 0.000 3.085 188 V HA 0.115 4.235 4.120 -0.000 0.000 0.245 188 V C 0.806 176.828 176.094 -0.119 0.000 1.114 188 V CA 0.420 62.629 62.300 -0.151 0.000 1.108 188 V CB 0.365 32.138 31.823 -0.083 0.000 0.798 188 V HN 0.183 nan 8.190 nan 0.000 0.471 189 L N 2.805 123.991 121.223 -0.062 0.000 2.399 189 L HA 0.334 4.674 4.340 -0.000 0.000 0.257 189 L C -0.445 176.413 176.870 -0.021 0.000 1.236 189 L CA -0.061 54.766 54.840 -0.021 0.000 1.144 189 L CB 0.064 42.119 42.059 -0.008 0.000 1.379 189 L HN 0.191 nan 8.230 nan 0.000 0.414 190 V N -0.969 118.940 119.914 -0.009 0.000 3.001 190 V HA 0.900 5.020 4.120 -0.000 0.000 0.314 190 V C 0.275 176.484 176.094 0.191 0.000 1.099 190 V CA -0.936 61.386 62.300 0.038 0.000 0.989 190 V CB 1.693 33.486 31.823 -0.049 0.000 1.040 190 V HN 0.412 nan 8.190 nan 0.000 0.434 191 A N 1.590 124.522 122.820 0.187 0.000 2.313 191 A HA 0.718 5.038 4.320 -0.000 0.000 0.261 191 A C -0.125 177.698 177.584 0.398 0.000 1.090 191 A CA -0.260 51.907 52.037 0.216 0.000 0.807 191 A CB 0.896 19.939 19.000 0.071 0.000 1.055 191 A HN 1.148 nan 8.150 nan 0.000 0.492 192 Q N -0.179 119.810 119.800 0.314 0.000 2.327 192 Q HA 0.613 4.953 4.340 -0.000 0.000 0.270 192 Q C -1.853 174.233 176.000 0.143 0.000 1.022 192 Q CA -0.200 55.662 55.803 0.099 0.000 0.773 192 Q CB 1.322 29.941 28.738 -0.199 0.000 1.251 192 Q HN 0.671 nan 8.270 nan 0.000 0.457 193 L N 3.483 124.734 121.223 0.047 0.000 2.620 193 L HA 0.754 5.094 4.340 -0.000 0.000 0.261 193 L C -0.333 176.472 176.870 -0.110 0.000 0.978 193 L CA 0.415 55.227 54.840 -0.048 0.000 0.897 193 L CB 1.712 43.691 42.059 -0.134 0.000 1.207 193 L HN 0.673 nan 8.230 nan 0.000 0.425 194 G N 1.692 110.419 108.800 -0.122 0.000 3.738 194 G HA2 0.517 4.477 3.960 -0.000 0.000 0.241 194 G HA3 0.517 4.477 3.960 -0.000 0.000 0.241 194 G C 0.551 175.421 174.900 -0.051 0.000 1.068 194 G CA 0.474 45.485 45.100 -0.148 0.000 0.899 194 G HN 1.278 nan 8.290 nan 0.000 0.519 195 G N -0.190 108.596 108.800 -0.022 0.000 2.855 195 G HA2 0.220 4.180 3.960 -0.000 0.000 0.352 195 G HA3 0.220 4.180 3.960 -0.000 0.000 0.352 195 G C 1.265 176.166 174.900 0.002 0.000 1.415 195 G CA 0.463 45.523 45.100 -0.067 0.000 0.871 195 G HN 1.346 nan 8.290 nan 0.000 0.543 196 A N -0.973 121.812 122.820 -0.058 0.000 1.894 196 A HA -0.028 4.292 4.320 -0.000 0.000 0.220 196 A C 2.542 180.112 177.584 -0.022 0.000 1.237 196 A CA 4.658 56.664 52.037 -0.051 0.000 0.660 196 A CB -0.905 18.064 19.000 -0.052 0.000 0.835 196 A HN 2.449 nan 8.150 nan 0.000 0.461 197 V N -4.980 114.931 119.914 -0.005 0.000 3.085 197 V HA 0.631 4.751 4.120 -0.000 0.000 0.345 197 V C 1.056 177.163 176.094 0.022 0.000 1.397 197 V CA 0.491 62.798 62.300 0.011 0.000 1.165 197 V CB -0.731 31.081 31.823 -0.017 0.000 1.153 197 V HN 1.894 nan 8.190 nan 0.000 0.495 198 G N 1.740 110.563 108.800 0.038 0.000 2.153 198 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.252 198 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.252 198 G C 0.784 175.636 174.900 -0.080 0.000 0.994 198 G CA 1.035 46.087 45.100 -0.079 0.000 0.698 198 G HN 1.474 nan 8.290 nan 0.000 0.521 199 S N -0.689 114.977 115.700 -0.056 0.000 2.523 199 S HA 0.436 4.906 4.470 -0.000 0.000 0.217 199 S C 1.428 175.990 174.600 -0.063 0.000 0.996 199 S CA 0.719 58.887 58.200 -0.053 0.000 0.921 199 S CB -0.004 63.171 63.200 -0.042 0.000 0.829 199 S HN 1.273 nan 8.310 nan 0.000 0.495 200 L N 0.125 121.298 121.223 -0.083 0.000 3.839 200 L HA -0.325 4.015 4.340 -0.000 0.000 0.416 200 L C 1.905 178.715 176.870 -0.101 0.000 1.195 200 L CA 0.157 54.932 54.840 -0.108 0.000 0.946 200 L CB -2.240 39.761 42.059 -0.096 0.000 1.891 200 L HN 0.512 nan 8.230 nan 0.000 0.963 201 A N 0.129 122.896 122.820 -0.088 0.000 1.917 201 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 201 A C 2.239 179.773 177.584 -0.084 0.000 1.182 201 A CA 2.324 54.318 52.037 -0.071 0.000 0.633 201 A CB -0.434 18.531 19.000 -0.058 0.000 0.819 201 A HN 0.802 nan 8.150 nan 0.000 0.448 202 S N -0.625 114.987 115.700 -0.147 0.000 2.547 202 S HA 0.073 4.542 4.470 -0.000 0.000 0.235 202 S C 1.342 175.856 174.600 -0.143 0.000 0.980 202 S CA 1.119 59.211 58.200 -0.180 0.000 0.941 202 S CB -0.434 62.547 63.200 -0.365 0.000 0.763 202 S HN 0.453 nan 8.310 nan 0.000 0.532 203 L N 0.259 121.407 121.223 -0.125 0.000 2.607 203 L HA 0.195 4.535 4.340 -0.000 0.000 0.228 203 L C 1.453 178.333 176.870 0.017 0.000 1.123 203 L CA -0.048 54.772 54.840 -0.034 0.000 0.890 203 L CB -0.541 41.474 42.059 -0.074 0.000 1.103 203 L HN 0.323 nan 8.230 nan 0.000 0.468 204 Q N 0.811 120.612 119.800 0.002 0.000 2.242 204 Q HA -0.362 3.978 4.340 -0.000 0.000 0.398 204 Q C 0.565 176.570 176.000 0.009 0.000 0.872 204 Q CA 2.293 58.103 55.803 0.013 0.000 0.979 204 Q CB -1.016 27.744 28.738 0.037 0.000 2.023 204 Q HN 0.639 nan 8.270 nan 0.000 0.895 205 D N -0.727 119.685 120.400 0.020 0.000 2.440 205 D HA 0.026 4.666 4.640 -0.000 0.000 0.216 205 D C 0.782 177.093 176.300 0.018 0.000 1.150 205 D CA 0.103 54.112 54.000 0.015 0.000 0.832 205 D CB 0.258 41.067 40.800 0.016 0.000 0.992 205 D HN 0.251 nan 8.370 nan 0.000 0.502 206 Q N 0.364 120.178 119.800 0.024 0.000 2.282 206 Q HA 0.235 4.575 4.340 -0.000 0.000 0.206 206 Q C 1.819 177.829 176.000 0.017 0.000 0.878 206 Q CA 0.400 56.220 55.803 0.029 0.000 0.944 206 Q CB 0.672 29.441 28.738 0.051 0.000 1.100 206 Q HN 0.422 nan 8.270 nan 0.000 0.509 207 G N 1.309 110.110 108.800 0.001 0.000 2.514 207 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 207 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 207 G C 1.570 176.469 174.900 -0.002 0.000 1.198 207 G CA 1.299 46.391 45.100 -0.015 0.000 0.780 207 G HN 0.382 nan 8.290 nan 0.000 0.565 208 S N 0.862 116.566 115.700 0.006 0.000 2.382 208 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 208 S C 2.266 176.882 174.600 0.027 0.000 1.027 208 S CA 1.273 59.483 58.200 0.016 0.000 0.991 208 S CB -0.230 62.979 63.200 0.014 0.000 0.823 208 S HN 0.291 nan 8.310 nan 0.000 0.469 209 I N 1.390 121.976 120.570 0.026 0.000 2.179 209 I HA -0.115 4.055 4.170 -0.000 0.000 0.242 209 I C 2.249 178.393 176.117 0.045 0.000 1.088 209 I CA 0.887 62.207 61.300 0.033 0.000 1.357 209 I CB -0.766 37.253 38.000 0.030 0.000 1.051 209 I HN 0.100 nan 8.210 nan 0.000 0.409 210 V N -0.105 119.832 119.914 0.039 0.000 2.427 210 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 210 V C 2.434 178.574 176.094 0.077 0.000 1.051 210 V CA 1.379 63.708 62.300 0.047 0.000 1.048 210 V CB -0.432 31.401 31.823 0.016 0.000 0.666 210 V HN 0.267 nan 8.190 nan 0.000 0.456 211 V N 0.118 120.072 119.914 0.067 0.000 2.358 211 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 211 V C 2.439 178.625 176.094 0.152 0.000 1.047 211 V CA 2.262 64.636 62.300 0.124 0.000 1.035 211 V CB -0.599 31.274 31.823 0.084 0.000 0.658 211 V HN 0.696 nan 8.190 nan 0.000 0.452 212 E N 0.712 120.971 120.200 0.097 0.000 2.058 212 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 212 E C 2.148 178.801 176.600 0.088 0.000 0.997 212 E CA 1.629 58.077 56.400 0.080 0.000 0.801 212 E CB -0.228 29.505 29.700 0.054 0.000 0.746 212 E HN 0.558 nan 8.360 nan 0.000 0.450 213 A N -0.157 122.723 122.820 0.100 0.000 2.014 213 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 213 A C 1.922 179.596 177.584 0.150 0.000 1.163 213 A CA 1.008 53.105 52.037 0.100 0.000 0.652 213 A CB -0.635 18.417 19.000 0.088 0.000 0.808 213 A HN 0.573 nan 8.150 nan 0.000 0.449 214 Y N 0.683 121.004 120.300 0.035 0.000 2.220 214 Y HA 0.025 4.575 4.550 -0.000 0.000 0.291 214 Y C 2.559 178.486 175.900 0.045 0.000 1.129 214 Y CA 0.925 59.050 58.100 0.041 0.000 1.161 214 Y CB -0.647 37.837 38.460 0.040 0.000 0.997 214 Y HN 0.286 nan 8.280 nan 0.000 0.522 215 A N 0.606 123.449 122.820 0.038 0.000 1.865 215 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 215 A C 2.325 179.873 177.584 -0.060 0.000 1.191 215 A CA 2.167 54.168 52.037 -0.060 0.000 0.623 215 A CB -0.884 18.134 19.000 0.030 0.000 0.826 215 A HN 0.511 nan 8.150 nan 0.000 0.444 216 K N -1.076 119.322 120.400 -0.004 0.000 2.032 216 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 216 K C 2.250 178.842 176.600 -0.013 0.000 1.048 216 K CA 1.603 57.889 56.287 -0.001 0.000 0.927 216 K CB -0.144 32.368 32.500 0.020 0.000 0.712 216 K HN 0.384 nan 8.250 nan 0.000 0.441 217 Q N 0.216 120.010 119.800 -0.009 0.000 2.181 217 Q HA -0.132 4.207 4.340 -0.000 0.000 0.205 217 Q C 1.888 177.863 176.000 -0.041 0.000 0.980 217 Q CA 1.286 57.085 55.803 -0.007 0.000 0.862 217 Q CB 0.017 28.772 28.738 0.027 0.000 0.905 217 Q HN 0.411 nan 8.270 nan 0.000 0.429 218 L N -0.403 120.758 121.223 -0.103 0.000 2.585 218 L HA 0.104 4.444 4.340 -0.000 0.000 0.226 218 L C 0.139 176.969 176.870 -0.067 0.000 1.113 218 L CA -0.056 54.720 54.840 -0.107 0.000 0.876 218 L CB 0.194 42.122 42.059 -0.218 0.000 1.072 218 L HN 0.072 nan 8.230 nan 0.000 0.468 219 K N 0.767 121.136 120.400 -0.052 0.000 3.125 219 K HA -0.160 4.160 4.320 -0.000 0.000 0.268 219 K C -0.549 176.032 176.600 -0.032 0.000 1.078 219 K CA 0.393 56.662 56.287 -0.031 0.000 0.775 219 K CB -1.632 30.858 32.500 -0.017 0.000 1.253 219 K HN 0.241 nan 8.250 nan 0.000 0.486 220 L N -0.593 120.603 121.223 -0.045 0.000 2.313 220 L HA 0.585 4.925 4.340 -0.000 0.000 0.268 220 L C 1.290 178.151 176.870 -0.016 0.000 1.010 220 L CA -0.865 53.956 54.840 -0.031 0.000 0.814 220 L CB 1.481 43.516 42.059 -0.041 0.000 1.304 220 L HN 0.198 nan 8.230 nan 0.000 0.441 221 G N 0.089 108.884 108.800 -0.008 0.000 2.634 221 G HA2 0.274 4.234 3.960 -0.000 0.000 0.255 221 G HA3 0.274 4.234 3.960 -0.000 0.000 0.255 221 G C -0.945 173.968 174.900 0.021 0.000 1.205 221 G CA -0.155 44.943 45.100 -0.004 0.000 0.884 221 G HN 0.582 nan 8.290 nan 0.000 0.549 222 Q N -1.257 118.558 119.800 0.025 0.000 2.306 222 Q HA 0.563 4.903 4.340 -0.000 0.000 0.265 222 Q C -0.213 175.812 176.000 0.042 0.000 1.022 222 Q CA -0.756 55.081 55.803 0.057 0.000 0.853 222 Q CB 1.671 30.440 28.738 0.052 0.000 1.327 222 Q HN 0.659 nan 8.270 nan 0.000 0.449 223 T N -0.952 113.648 114.554 0.075 0.000 2.940 223 T HA 0.642 4.992 4.350 -0.000 0.000 0.288 223 T C 0.761 175.492 174.700 0.051 0.000 1.033 223 T CA -0.155 61.971 62.100 0.043 0.000 1.033 223 T CB 1.546 70.453 68.868 0.065 0.000 1.079 223 T HN 0.649 nan 8.240 nan 0.000 0.496 224 A N 0.477 123.313 122.820 0.027 0.000 1.898 224 A HA 0.209 4.528 4.320 -0.000 0.000 0.216 224 A C 1.457 179.062 177.584 0.035 0.000 1.181 224 A CA 1.077 53.129 52.037 0.024 0.000 0.620 224 A CB -1.262 17.744 19.000 0.010 0.000 0.819 224 A HN 1.347 nan 8.150 nan 0.000 0.442 225 C N -3.972 115.360 119.300 0.053 0.000 2.971 225 C HA 0.712 5.172 4.460 -0.000 0.000 0.310 225 C C 0.218 175.263 174.990 0.091 0.000 1.285 225 C CA -0.761 58.285 59.018 0.047 0.000 1.593 225 C CB 0.691 28.448 27.740 0.028 0.000 2.076 225 C HN 0.305 nan 8.230 nan 0.000 0.472 226 T N 2.788 117.338 114.554 -0.007 0.000 2.946 226 T HA 0.196 4.546 4.350 -0.000 0.000 0.311 226 T C 0.340 175.012 174.700 -0.045 0.000 1.063 226 T CA 0.483 62.498 62.100 -0.141 0.000 1.139 226 T CB 0.045 68.703 68.868 -0.350 0.000 0.994 226 T HN 0.963 nan 8.240 nan 0.000 0.547 227 W N 3.211 124.376 121.300 -0.226 0.000 1.513 227 W HA 0.322 4.982 4.660 -0.000 0.000 0.311 227 W C 0.245 176.721 176.519 -0.071 0.000 0.821 227 W CA -0.812 56.463 57.345 -0.116 0.000 2.622 227 W CB -1.603 27.823 29.460 -0.056 0.000 1.907 227 W HN 0.904 nan 8.180 nan 0.000 0.562 228 H N 0.791 119.668 119.070 -0.322 0.000 2.387 228 H HA -0.069 4.487 4.556 -0.000 0.000 0.299 228 H C 2.324 177.489 175.328 -0.273 0.000 1.090 228 H CA 1.747 57.548 56.048 -0.412 0.000 1.332 228 H CB 0.161 29.703 29.762 -0.366 0.000 1.386 228 H HN 0.365 nan 8.280 nan 0.000 0.516 229 G N -0.398 108.404 108.800 0.004 0.000 2.921 229 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.213 229 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.213 229 G C -0.135 174.802 174.900 0.063 0.000 1.143 229 G CA -0.138 44.969 45.100 0.010 0.000 0.764 229 G HN 0.158 nan 8.290 nan 0.000 0.542 230 E N 0.959 121.238 120.200 0.130 0.000 2.081 230 E HA 0.444 4.794 4.350 -0.000 0.000 0.276 230 E C 0.476 177.212 176.600 0.226 0.000 0.950 230 E CA -0.438 56.050 56.400 0.146 0.000 0.776 230 E CB 1.130 30.914 29.700 0.140 0.000 1.094 230 E HN -0.025 nan 8.360 nan 0.000 0.402 231 R N 2.583 123.175 120.500 0.152 0.000 2.546 231 R HA 0.038 4.378 4.340 -0.000 0.000 0.320 231 R C 0.273 176.617 176.300 0.075 0.000 1.021 231 R CA 0.042 56.250 56.100 0.181 0.000 1.088 231 R CB 0.069 30.457 30.300 0.146 0.000 1.278 231 R HN 0.591 nan 8.270 nan 0.000 0.557 232 D N 1.008 121.420 120.400 0.020 0.000 2.190 232 D HA -0.236 4.404 4.640 -0.000 0.000 0.200 232 D C 1.325 177.578 176.300 -0.078 0.000 0.992 232 D CA 0.960 54.935 54.000 -0.040 0.000 0.854 232 D CB -0.030 40.747 40.800 -0.038 0.000 0.936 232 D HN 0.185 nan 8.370 nan 0.000 0.462 233 R N -0.174 120.254 120.500 -0.121 0.000 2.096 233 R HA -0.035 4.305 4.340 -0.000 0.000 0.235 233 R C 2.492 178.752 176.300 -0.066 0.000 1.127 233 R CA 0.712 56.708 56.100 -0.174 0.000 0.968 233 R CB -0.061 29.982 30.300 -0.428 0.000 0.861 233 R HN 0.244 nan 8.270 nan 0.000 0.440 234 I N 0.163 120.747 120.570 0.024 0.000 2.202 234 I HA -0.182 3.988 4.170 -0.000 0.000 0.242 234 I C 2.303 178.401 176.117 -0.032 0.000 1.091 234 I CA 1.254 62.597 61.300 0.072 0.000 1.368 234 I CB -0.915 37.178 38.000 0.155 0.000 1.058 234 I HN -0.042 nan 8.210 nan 0.000 0.410 235 V N 0.919 120.768 119.914 -0.108 0.000 2.343 235 V HA -0.269 3.850 4.120 -0.000 0.000 0.247 235 V C 2.563 178.531 176.094 -0.209 0.000 1.051 235 V CA 1.933 64.076 62.300 -0.261 0.000 1.036 235 V CB -0.751 30.819 31.823 -0.422 0.000 0.654 235 V HN 0.455 nan 8.190 nan 0.000 0.451 236 E N 0.163 120.285 120.200 -0.130 0.000 2.077 236 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 236 E C 2.183 178.736 176.600 -0.079 0.000 0.989 236 E CA 1.645 57.994 56.400 -0.086 0.000 0.800 236 E CB -0.169 29.489 29.700 -0.070 0.000 0.746 236 E HN 0.616 nan 8.360 nan 0.000 0.452 237 I N 0.840 121.367 120.570 -0.071 0.000 2.179 237 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 237 I C 2.575 178.591 176.117 -0.168 0.000 1.088 237 I CA 1.048 62.302 61.300 -0.077 0.000 1.357 237 I CB -0.342 37.662 38.000 0.007 0.000 1.051 237 I HN 0.203 nan 8.210 nan 0.000 0.409 238 A N 0.750 123.471 122.820 -0.165 0.000 1.902 238 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 238 A C 2.503 180.006 177.584 -0.136 0.000 1.181 238 A CA 2.259 54.179 52.037 -0.194 0.000 0.623 238 A CB -0.926 17.980 19.000 -0.157 0.000 0.818 238 A HN 0.541 nan 8.150 nan 0.000 0.443 239 S N -0.465 115.181 115.700 -0.089 0.000 2.399 239 S HA -0.123 4.347 4.470 -0.000 0.000 0.231 239 S C 1.719 176.299 174.600 -0.033 0.000 1.022 239 S CA 1.538 59.734 58.200 -0.008 0.000 0.983 239 S CB -0.820 62.412 63.200 0.054 0.000 0.803 239 S HN 0.250 nan 8.310 nan 0.000 0.480 240 V N 1.861 121.736 119.914 -0.065 0.000 2.453 240 V HA 0.006 4.126 4.120 -0.000 0.000 0.247 240 V C 2.519 178.564 176.094 -0.082 0.000 1.048 240 V CA 1.433 63.697 62.300 -0.060 0.000 1.049 240 V CB -0.742 31.047 31.823 -0.056 0.000 0.672 240 V HN 0.464 nan 8.190 nan 0.000 0.457 241 L N 0.401 121.534 121.223 -0.150 0.000 2.083 241 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 241 L C 2.652 179.459 176.870 -0.105 0.000 1.083 241 L CA 1.696 56.431 54.840 -0.175 0.000 0.752 241 L CB -1.174 40.672 42.059 -0.356 0.000 0.899 241 L HN 0.463 nan 8.230 nan 0.000 0.433 242 G N 0.404 109.149 108.800 -0.090 0.000 2.440 242 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 242 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 242 G C 1.597 176.470 174.900 -0.045 0.000 1.154 242 G CA 0.707 45.774 45.100 -0.056 0.000 0.767 242 G HN 0.290 nan 8.290 nan 0.000 0.552 243 I N 0.362 120.908 120.570 -0.040 0.000 2.315 243 I HA -0.085 4.085 4.170 -0.000 0.000 0.248 243 I C 2.598 178.693 176.117 -0.036 0.000 1.117 243 I CA 0.627 61.904 61.300 -0.039 0.000 1.404 243 I CB -0.123 37.857 38.000 -0.032 0.000 1.071 243 I HN 0.150 nan 8.210 nan 0.000 0.419 244 I N 0.171 120.731 120.570 -0.016 0.000 2.226 244 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 244 I C 2.478 178.604 176.117 0.016 0.000 1.100 244 I CA 1.475 62.791 61.300 0.027 0.000 1.374 244 I CB -0.504 37.531 38.000 0.058 0.000 1.057 244 I HN 0.192 nan 8.210 nan 0.000 0.413 245 T N 0.318 114.866 114.554 -0.009 0.000 2.821 245 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 245 T C 1.919 176.589 174.700 -0.050 0.000 1.046 245 T CA 1.408 63.499 62.100 -0.014 0.000 1.139 245 T CB -0.605 68.249 68.868 -0.023 0.000 0.871 245 T HN 0.582 nan 8.240 nan 0.000 0.454 246 G N 2.038 110.800 108.800 -0.064 0.000 2.422 246 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 246 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 246 G C 1.664 176.488 174.900 -0.126 0.000 1.146 246 G CA 0.553 45.598 45.100 -0.090 0.000 0.769 246 G HN 0.399 nan 8.290 nan 0.000 0.547 247 N N 0.605 119.225 118.700 -0.133 0.000 2.120 247 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 247 N C 2.538 177.879 175.510 -0.281 0.000 1.024 247 N CA 1.878 54.792 53.050 -0.227 0.000 0.852 247 N CB -0.447 37.863 38.487 -0.296 0.000 1.003 247 N HN 0.388 nan 8.380 nan 0.000 0.424 248 V N -1.822 117.998 119.914 -0.157 0.000 2.871 248 V HA 0.204 4.324 4.120 -0.000 0.000 0.256 248 V C 2.190 178.157 176.094 -0.211 0.000 1.082 248 V CA 1.575 63.798 62.300 -0.128 0.000 1.105 248 V CB -1.051 30.823 31.823 0.084 0.000 0.713 248 V HN 0.124 nan 8.190 nan 0.000 0.473 249 G N 0.359 109.047 108.800 -0.187 0.000 2.421 249 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 249 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 249 G C 1.598 176.329 174.900 -0.282 0.000 1.171 249 G CA 0.989 45.961 45.100 -0.214 0.000 0.775 249 G HN 0.453 nan 8.290 nan 0.000 0.543 250 K N 0.282 120.525 120.400 -0.263 0.000 2.097 250 K HA -0.003 4.317 4.320 -0.000 0.000 0.206 250 K C 2.526 178.917 176.600 -0.349 0.000 1.049 250 K CA 1.179 57.316 56.287 -0.251 0.000 0.933 250 K CB -0.362 32.023 32.500 -0.191 0.000 0.717 250 K HN 0.373 nan 8.250 nan 0.000 0.442 251 M N 0.076 119.345 119.600 -0.551 0.000 2.132 251 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 251 M C 2.392 178.276 176.300 -0.692 0.000 1.065 251 M CA 1.705 56.526 55.300 -0.798 0.000 1.122 251 M CB -0.322 31.701 32.600 -0.961 0.000 1.365 251 M HN 0.163 nan 8.290 nan 0.000 0.411 252 A N 0.318 122.548 122.820 -0.983 0.000 1.930 252 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 252 A C 2.105 179.084 177.584 -1.009 0.000 1.175 252 A CA 1.815 52.821 52.037 -1.718 0.000 0.627 252 A CB -0.562 17.776 19.000 -1.103 0.000 0.815 252 A HN 0.372 nan 8.150 nan 0.000 0.443 253 R N 0.708 120.876 120.500 -0.554 0.000 2.073 253 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 253 R C 1.336 177.483 176.300 -0.255 0.000 1.134 253 R CA 2.250 58.148 56.100 -0.336 0.000 0.952 253 R CB -0.809 29.360 30.300 -0.219 0.000 0.850 253 R HN 0.463 nan 8.270 nan 0.000 0.433 254 D N -0.580 119.713 120.400 -0.178 0.000 2.084 254 D HA -0.165 4.474 4.640 -0.000 0.000 0.194 254 D C 1.759 178.115 176.300 0.094 0.000 0.990 254 D CA 1.715 55.730 54.000 0.026 0.000 0.826 254 D CB -0.677 40.281 40.800 0.263 0.000 0.971 254 D HN 0.570 nan 8.370 nan 0.000 0.453 255 W N 1.923 123.245 121.300 0.037 0.000 2.467 255 W HA -0.039 4.621 4.660 -0.000 0.000 0.275 255 W C 2.086 178.581 176.519 -0.042 0.000 1.239 255 W CA 1.444 58.800 57.345 0.019 0.000 1.266 255 W CB -1.127 28.352 29.460 0.033 0.000 1.112 255 W HN -0.033 nan 8.180 nan 0.000 0.576 256 S N 0.563 116.169 115.700 -0.156 0.000 2.428 256 S HA -0.097 4.373 4.470 -0.000 0.000 0.230 256 S C 1.877 176.454 174.600 -0.039 0.000 1.014 256 S CA 1.170 59.338 58.200 -0.054 0.000 0.957 256 S CB -0.923 62.169 63.200 -0.180 0.000 0.784 256 S HN 0.443 nan 8.310 nan 0.000 0.499 257 L N 0.251 121.442 121.223 -0.054 0.000 2.141 257 L HA 0.099 4.439 4.340 -0.000 0.000 0.209 257 L C 2.637 179.490 176.870 -0.028 0.000 1.094 257 L CA 1.182 56.001 54.840 -0.034 0.000 0.763 257 L CB -0.459 41.584 42.059 -0.026 0.000 0.908 257 L HN 0.353 nan 8.230 nan 0.000 0.437 258 M N -1.500 118.093 119.600 -0.012 0.000 2.557 258 M HA -0.123 4.357 4.480 -0.000 0.000 0.259 258 M C 1.828 178.013 176.300 -0.192 0.000 1.086 258 M CA 1.253 56.519 55.300 -0.056 0.000 1.096 258 M CB 0.026 32.623 32.600 -0.005 0.000 1.424 258 M HN 0.258 nan 8.290 nan 0.000 0.488 259 M N -0.584 118.908 119.600 -0.180 0.000 2.495 259 M HA 0.051 4.531 4.480 -0.000 0.000 0.237 259 M C 0.125 176.340 176.300 -0.142 0.000 1.131 259 M CA 0.151 55.255 55.300 -0.327 0.000 1.032 259 M CB 0.373 32.885 32.600 -0.146 0.000 1.513 259 M HN 0.181 nan 8.290 nan 0.000 0.488 260 Q N 0.132 119.890 119.800 -0.070 0.000 2.349 260 Q HA -0.046 4.294 4.340 -0.000 0.000 0.287 260 Q C 1.138 177.147 176.000 0.014 0.000 1.044 260 Q CA 0.313 56.109 55.803 -0.012 0.000 0.918 260 Q CB 0.584 29.318 28.738 -0.007 0.000 1.242 260 Q HN 0.249 nan 8.270 nan 0.000 0.405 261 T N 2.116 116.701 114.554 0.053 0.000 2.685 261 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 261 T C 0.919 175.661 174.700 0.070 0.000 1.034 261 T CA 1.874 64.025 62.100 0.084 0.000 1.149 261 T CB -0.051 68.861 68.868 0.074 0.000 0.860 261 T HN 0.551 nan 8.240 nan 0.000 0.449 262 E N -0.009 120.217 120.200 0.043 0.000 2.482 262 E HA 0.206 4.556 4.350 -0.000 0.000 0.196 262 E C 1.715 178.332 176.600 0.029 0.000 1.047 262 E CA 0.332 56.754 56.400 0.037 0.000 0.869 262 E CB -0.087 29.628 29.700 0.026 0.000 0.836 262 E HN 0.548 nan 8.360 nan 0.000 0.520 263 I N -0.692 119.888 120.570 0.017 0.000 3.366 263 I HA 0.179 4.349 4.170 -0.000 0.000 0.267 263 I C 0.709 176.826 176.117 0.001 0.000 1.149 263 I CA 0.204 61.504 61.300 0.001 0.000 1.436 263 I CB 0.031 38.020 38.000 -0.020 0.000 1.379 263 I HN -0.021 nan 8.210 nan 0.000 0.460 264 A N 1.853 124.645 122.820 -0.047 0.000 2.640 264 A HA -0.254 4.066 4.320 -0.000 0.000 0.300 264 A C 1.018 178.582 177.584 -0.033 0.000 1.499 264 A CA 1.310 53.310 52.037 -0.061 0.000 0.759 264 A CB -1.971 17.186 19.000 0.262 0.000 1.048 264 A HN 0.659 nan 8.150 nan 0.000 0.450 265 E N -1.522 118.593 120.200 -0.142 0.000 2.364 265 E HA 0.291 4.641 4.350 -0.000 0.000 0.196 265 E C 0.124 176.687 176.600 -0.062 0.000 0.990 265 E CA 0.873 57.248 56.400 -0.043 0.000 0.886 265 E CB 0.522 30.202 29.700 -0.033 0.000 0.866 265 E HN 0.562 nan 8.360 nan 0.000 0.493 266 V N 0.800 120.566 119.914 -0.247 0.000 2.932 266 V HA 0.357 4.477 4.120 -0.000 0.000 0.307 266 V C -1.431 174.423 176.094 -0.400 0.000 1.147 266 V CA -0.822 61.391 62.300 -0.145 0.000 0.951 266 V CB 1.807 33.597 31.823 -0.055 0.000 1.031 266 V HN -0.007 nan 8.190 nan 0.000 0.426 267 F N 0.594 120.548 119.950 0.007 0.000 2.588 267 F HA 0.528 5.055 4.527 -0.000 0.000 0.314 267 F C 0.457 176.218 175.800 -0.066 0.000 1.069 267 F CA -0.766 57.239 58.000 0.007 0.000 0.931 267 F CB 1.742 40.749 39.000 0.011 0.000 1.260 267 F HN 0.407 nan 8.300 nan 0.000 0.465 268 E N 3.399 123.675 120.200 0.127 0.000 2.383 268 E HA 0.164 4.514 4.350 -0.000 0.000 0.264 268 E C -2.226 174.393 176.600 0.032 0.000 1.050 268 E CA -1.617 54.763 56.400 -0.034 0.000 0.896 268 E CB 0.427 30.141 29.700 0.024 0.000 0.982 268 E HN 0.165 nan 8.360 nan 0.000 0.424 269 P HA -0.076 nan 4.420 nan 0.000 0.269 269 P C 0.029 177.335 177.300 0.010 0.000 1.209 269 P CA -0.046 63.051 63.100 -0.005 0.000 0.776 269 P CB 0.707 32.392 31.700 -0.026 0.000 0.876 285 N N 1.813 120.574 118.700 0.102 0.000 2.498 285 N HA 0.393 5.133 4.740 -0.000 0.000 0.287 285 N C -2.269 173.315 175.510 0.123 0.000 1.097 285 N CA -1.749 51.361 53.050 0.100 0.000 0.973 285 N CB 1.150 39.679 38.487 0.070 0.000 1.153 285 N HN 0.046 nan 8.380 nan 0.000 0.472 286 P HA 0.154 nan 4.420 nan 0.000 0.231 286 P C 0.750 178.146 177.300 0.161 0.000 1.811 286 P CA -0.185 63.030 63.100 0.190 0.000 1.051 286 P CB 0.189 32.005 31.700 0.193 0.000 1.951 287 V N 1.534 121.525 119.914 0.130 0.000 2.392 287 V HA -0.286 3.834 4.120 -0.000 0.000 0.249 287 V C 2.371 178.537 176.094 0.120 0.000 1.059 287 V CA 2.585 64.940 62.300 0.092 0.000 1.051 287 V CB -1.189 30.669 31.823 0.058 0.000 0.658 287 V HN 0.381 nan 8.190 nan 0.000 0.455 288 A N -0.258 122.678 122.820 0.194 0.000 1.929 288 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 288 A C 2.403 180.176 177.584 0.314 0.000 1.176 288 A CA 1.664 53.853 52.037 0.252 0.000 0.628 288 A CB -0.600 18.569 19.000 0.281 0.000 0.816 288 A HN 0.542 nan 8.150 nan 0.000 0.444 289 A N 0.065 123.086 122.820 0.336 0.000 1.898 289 A HA 0.184 4.504 4.320 -0.000 0.000 0.216 289 A C 2.485 180.058 177.584 -0.019 0.000 1.181 289 A CA 1.915 53.962 52.037 0.016 0.000 0.620 289 A CB -0.988 17.909 19.000 -0.172 0.000 0.819 289 A HN 1.008 nan 8.150 nan 0.000 0.442 290 A N -0.371 122.475 122.820 0.043 0.000 1.908 290 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 290 A C 2.466 180.107 177.584 0.095 0.000 1.181 290 A CA 2.277 54.340 52.037 0.044 0.000 0.627 290 A CB -0.908 18.123 19.000 0.052 0.000 0.818 290 A HN 0.464 nan 8.150 nan 0.000 0.445 291 S N -0.597 115.176 115.700 0.122 0.000 2.355 291 S HA -0.108 4.362 4.470 -0.000 0.000 0.222 291 S C 1.897 176.605 174.600 0.180 0.000 1.031 291 S CA 1.362 59.695 58.200 0.221 0.000 0.993 291 S CB -0.487 62.795 63.200 0.136 0.000 0.859 291 S HN 0.338 nan 8.310 nan 0.000 0.453 292 V N 2.096 122.072 119.914 0.103 0.000 2.407 292 V HA -0.127 3.993 4.120 -0.000 0.000 0.248 292 V C 2.103 178.178 176.094 -0.032 0.000 1.055 292 V CA 1.444 63.770 62.300 0.043 0.000 1.049 292 V CB -0.676 31.152 31.823 0.010 0.000 0.662 292 V HN 0.404 nan 8.190 nan 0.000 0.455 293 L N -0.206 120.978 121.223 -0.066 0.000 2.217 293 L HA -0.046 4.294 4.340 -0.000 0.000 0.211 293 L C 2.650 179.481 176.870 -0.066 0.000 1.107 293 L CA 1.129 55.911 54.840 -0.097 0.000 0.783 293 L CB -0.644 41.340 42.059 -0.125 0.000 0.919 293 L HN 0.345 nan 8.230 nan 0.000 0.442 294 A N 0.128 122.934 122.820 -0.024 0.000 1.898 294 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 294 A C 2.509 180.016 177.584 -0.128 0.000 1.181 294 A CA 1.593 53.582 52.037 -0.080 0.000 0.620 294 A CB -0.568 18.395 19.000 -0.061 0.000 0.819 294 A HN 0.374 nan 8.150 nan 0.000 0.442 295 A N -0.288 122.492 122.820 -0.068 0.000 1.969 295 A HA 0.255 4.574 4.320 -0.000 0.000 0.218 295 A C 2.317 179.863 177.584 -0.063 0.000 1.169 295 A CA 1.661 53.663 52.037 -0.058 0.000 0.635 295 A CB -0.748 18.265 19.000 0.021 0.000 0.810 295 A HN 1.040 nan 8.150 nan 0.000 0.445 296 A N -0.255 122.524 122.820 -0.068 0.000 2.209 296 A HA -0.057 4.263 4.320 -0.000 0.000 0.212 296 A C 1.696 179.230 177.584 -0.084 0.000 1.158 296 A CA 1.424 53.413 52.037 -0.079 0.000 0.742 296 A CB -0.724 18.217 19.000 -0.099 0.000 0.790 296 A HN 0.782 nan 8.150 nan 0.000 0.472 297 N N -1.377 117.269 118.700 -0.089 0.000 2.349 297 N HA -0.078 4.662 4.740 -0.000 0.000 0.180 297 N C 1.889 177.346 175.510 -0.089 0.000 1.024 297 N CA 0.642 53.638 53.050 -0.089 0.000 0.869 297 N CB -0.093 38.336 38.487 -0.097 0.000 1.022 297 N HN 0.193 nan 8.380 nan 0.000 0.433 298 R N 0.523 120.959 120.500 -0.106 0.000 2.075 298 R HA 0.083 4.423 4.340 -0.000 0.000 0.232 298 R C 1.865 178.121 176.300 -0.073 0.000 1.126 298 R CA 1.030 57.068 56.100 -0.104 0.000 0.963 298 R CB -0.758 29.453 30.300 -0.148 0.000 0.858 298 R HN 0.144 nan 8.270 nan 0.000 0.435 299 V N 1.152 121.027 119.914 -0.065 0.000 2.343 299 V HA -0.140 3.980 4.120 -0.000 0.000 0.247 299 V C -0.983 175.085 176.094 -0.043 0.000 1.051 299 V CA 2.017 64.285 62.300 -0.052 0.000 1.036 299 V CB -0.934 30.859 31.823 -0.050 0.000 0.654 299 V HN 0.296 nan 8.190 nan 0.000 0.451 300 P HA -0.140 nan 4.420 nan 0.000 0.216 300 P C 1.671 178.953 177.300 -0.030 0.000 1.150 300 P CA 1.914 64.991 63.100 -0.038 0.000 0.837 300 P CB -0.115 31.553 31.700 -0.052 0.000 0.786 301 A N -0.613 122.183 122.820 -0.039 0.000 1.898 301 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 301 A C 2.145 179.717 177.584 -0.020 0.000 1.181 301 A CA 1.351 53.368 52.037 -0.034 0.000 0.620 301 A CB -1.649 17.324 19.000 -0.045 0.000 0.819 301 A HN 0.109 nan 8.150 nan 0.000 0.442 302 L N -0.895 120.313 121.223 -0.026 0.000 2.191 302 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 302 L C 2.697 179.571 176.870 0.006 0.000 1.103 302 L CA 0.725 55.553 54.840 -0.021 0.000 0.769 302 L CB -0.466 41.570 42.059 -0.038 0.000 0.908 302 L HN 0.327 nan 8.230 nan 0.000 0.438 303 M N -0.625 118.992 119.600 0.029 0.000 2.117 303 M HA -0.183 4.297 4.480 -0.000 0.000 0.262 303 M C 2.694 179.107 176.300 0.188 0.000 1.065 303 M CA 1.841 57.211 55.300 0.115 0.000 1.114 303 M CB -1.191 31.484 32.600 0.124 0.000 1.361 303 M HN 0.334 nan 8.290 nan 0.000 0.408 304 S N -0.301 115.453 115.700 0.089 0.000 2.359 304 S HA -0.170 4.300 4.470 -0.000 0.000 0.224 304 S C 2.239 176.892 174.600 0.088 0.000 1.035 304 S CA 2.280 60.524 58.200 0.074 0.000 1.018 304 S CB -0.358 62.851 63.200 0.014 0.000 0.876 304 S HN 0.510 nan 8.310 nan 0.000 0.448 305 S N 0.384 116.112 115.700 0.047 0.000 2.356 305 S HA -0.045 4.425 4.470 -0.000 0.000 0.223 305 S C 1.878 176.491 174.600 0.022 0.000 1.032 305 S CA 1.227 59.441 58.200 0.024 0.000 1.005 305 S CB -0.587 62.611 63.200 -0.003 0.000 0.867 305 S HN 0.550 nan 8.310 nan 0.000 0.449 306 I N 0.628 121.204 120.570 0.009 0.000 2.315 306 I HA -0.077 4.093 4.170 -0.000 0.000 0.248 306 I C 1.816 177.874 176.117 -0.097 0.000 1.117 306 I CA 1.454 62.719 61.300 -0.057 0.000 1.404 306 I CB -1.163 36.778 38.000 -0.100 0.000 1.071 306 I HN 0.390 nan 8.210 nan 0.000 0.419 307 Y N 1.101 121.394 120.300 -0.012 0.000 2.200 307 Y HA -0.224 4.326 4.550 -0.000 0.000 0.290 307 Y C 2.750 178.646 175.900 -0.006 0.000 1.137 307 Y CA 1.486 59.581 58.100 -0.009 0.000 1.163 307 Y CB -0.406 38.043 38.460 -0.018 0.000 0.988 307 Y HN 0.276 nan 8.280 nan 0.000 0.518 308 Q N -0.937 118.941 119.800 0.130 0.000 2.170 308 Q HA -0.173 4.167 4.340 -0.000 0.000 0.203 308 Q C 2.248 178.271 176.000 0.038 0.000 0.976 308 Q CA 1.548 57.391 55.803 0.068 0.000 0.858 308 Q CB -0.287 28.473 28.738 0.036 0.000 0.907 308 Q HN 0.276 nan 8.270 nan 0.000 0.433 309 S N 0.373 116.086 115.700 0.022 0.000 2.537 309 S HA -0.062 4.408 4.470 -0.000 0.000 0.240 309 S C 1.631 176.247 174.600 0.027 0.000 0.981 309 S CA 0.680 58.889 58.200 0.015 0.000 0.948 309 S CB -0.058 63.144 63.200 0.004 0.000 0.759 309 S HN 0.356 nan 8.310 nan 0.000 0.531 310 M N 0.534 120.148 119.600 0.024 0.000 2.319 310 M HA 0.001 4.481 4.480 -0.000 0.000 0.265 310 M C 0.298 176.616 176.300 0.030 0.000 1.068 310 M CA 0.800 56.117 55.300 0.028 0.000 1.118 310 M CB -0.343 32.278 32.600 0.035 0.000 1.395 310 M HN -0.004 nan 8.290 nan 0.000 0.435 311 V N 3.229 123.158 119.914 0.025 0.000 2.352 311 V HA 0.055 4.174 4.120 -0.000 0.000 0.253 311 V C 0.049 176.145 176.094 0.003 0.000 1.083 311 V CA 0.136 62.442 62.300 0.010 0.000 0.993 311 V CB -0.358 31.468 31.823 0.005 0.000 1.111 311 V HN 0.323 nan 8.190 nan 0.000 0.490 312 Q N 3.083 122.882 119.800 -0.001 0.000 2.353 312 Q HA 0.476 4.816 4.340 -0.000 0.000 0.268 312 Q C -0.774 175.205 176.000 -0.036 0.000 1.045 312 Q CA -0.930 54.873 55.803 -0.001 0.000 0.811 312 Q CB 2.823 31.569 28.738 0.013 0.000 1.305 312 Q HN 0.602 nan 8.270 nan 0.000 0.447 313 E N 3.007 123.182 120.200 -0.042 0.000 2.324 313 E HA 0.039 4.389 4.350 -0.000 0.000 0.271 313 E C 0.160 176.744 176.600 -0.027 0.000 1.028 313 E CA 0.293 56.631 56.400 -0.105 0.000 0.890 313 E CB 0.154 29.817 29.700 -0.062 0.000 1.004 313 E HN 0.466 nan 8.360 nan 0.000 0.431 314 H N 2.524 121.594 119.070 -0.000 0.000 1.452 314 H HA -0.275 4.280 4.556 -0.000 0.000 0.090 314 H C 0.787 176.108 175.328 -0.012 0.000 1.013 314 H CA 1.950 57.995 56.048 -0.004 0.000 1.901 314 H CB -0.661 29.098 29.762 -0.005 0.000 2.257 314 H HN 0.563 nan 8.280 nan 0.000 0.961 315 E N 1.618 121.913 120.200 0.157 0.000 2.474 315 E HA 0.249 4.599 4.350 -0.000 0.000 0.195 315 E C 0.458 177.048 176.600 -0.017 0.000 1.039 315 E CA 0.320 56.754 56.400 0.055 0.000 0.881 315 E CB 0.583 30.302 29.700 0.033 0.000 0.970 315 E HN 0.298 nan 8.360 nan 0.000 0.486 316 R N 0.009 120.498 120.500 -0.019 0.000 2.868 316 R HA 0.157 4.497 4.340 -0.000 0.000 0.262 316 R C -1.145 175.159 176.300 0.007 0.000 1.163 316 R CA -0.117 55.920 56.100 -0.104 0.000 1.105 316 R CB 0.458 30.672 30.300 -0.143 0.000 1.270 316 R HN 0.122 nan 8.270 nan 0.000 0.437 317 S N 3.350 119.066 115.700 0.026 0.000 2.632 317 S HA 0.464 4.934 4.470 -0.000 0.000 0.267 317 S C -0.346 174.348 174.600 0.156 0.000 1.276 317 S CA -0.727 57.525 58.200 0.087 0.000 0.998 317 S CB 1.287 64.537 63.200 0.083 0.000 0.953 317 S HN 0.408 nan 8.310 nan 0.000 0.547 318 L N 2.258 123.527 121.223 0.077 0.000 2.313 318 L HA 0.635 4.975 4.340 -0.000 0.000 0.273 318 L C 0.891 177.740 176.870 -0.037 0.000 1.028 318 L CA 1.319 56.167 54.840 0.014 0.000 0.871 318 L CB 0.038 42.092 42.059 -0.007 0.000 1.242 318 L HN 1.203 nan 8.230 nan 0.000 0.434 319 G N 2.889 111.643 108.800 -0.078 0.000 3.047 319 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.203 319 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.203 319 G C 1.041 175.914 174.900 -0.044 0.000 1.444 319 G CA 0.195 45.235 45.100 -0.100 0.000 1.020 319 G HN 0.836 nan 8.290 nan 0.000 0.563 320 A N -0.454 122.370 122.820 0.006 0.000 1.908 320 A HA 0.096 4.416 4.320 -0.000 0.000 0.218 320 A C 2.101 179.699 177.584 0.024 0.000 1.181 320 A CA 2.453 54.498 52.037 0.014 0.000 0.627 320 A CB -0.781 18.242 19.000 0.038 0.000 0.818 320 A HN 1.330 nan 8.150 nan 0.000 0.445 321 W N 0.487 121.693 121.300 -0.156 0.000 2.381 321 W HA -0.121 4.539 4.660 -0.000 0.000 0.301 321 W C 1.999 178.056 176.519 -0.769 0.000 1.205 321 W CA 1.849 59.026 57.345 -0.281 0.000 1.285 321 W CB -0.813 28.556 29.460 -0.153 0.000 1.133 321 W HN 0.544 nan 8.180 nan 0.000 0.521 322 H N 0.004 118.441 119.070 -1.054 0.000 2.352 322 H HA -0.085 4.471 4.556 -0.000 0.000 0.299 322 H C 2.348 177.078 175.328 -0.997 0.000 1.097 322 H CA 2.602 57.634 56.048 -1.694 0.000 1.311 322 H CB -1.019 28.212 29.762 -0.886 0.000 1.377 322 H HN 0.173 nan 8.280 nan 0.000 0.504 323 A N 0.851 123.432 122.820 -0.398 0.000 1.972 323 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 323 A C 2.106 179.581 177.584 -0.182 0.000 1.169 323 A CA 1.697 53.609 52.037 -0.208 0.000 0.635 323 A CB -0.329 18.605 19.000 -0.111 0.000 0.810 323 A HN 0.537 nan 8.150 nan 0.000 0.446 324 E N -0.825 119.237 120.200 -0.230 0.000 2.118 324 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 324 E C 1.619 178.240 176.600 0.035 0.000 0.992 324 E CA 1.240 57.598 56.400 -0.070 0.000 0.804 324 E CB -0.229 29.491 29.700 0.033 0.000 0.741 324 E HN 0.886 nan 8.360 nan 0.000 0.458 325 W N 0.416 121.644 121.300 -0.120 0.000 2.421 325 W HA -0.056 4.604 4.660 -0.000 0.000 0.270 325 W C 1.754 178.221 176.519 -0.086 0.000 1.233 325 W CA 0.575 57.845 57.345 -0.126 0.000 1.226 325 W CB -0.679 28.647 29.460 -0.223 0.000 1.121 325 W HN 0.147 nan 8.180 nan 0.000 0.579 326 L N -0.005 121.279 121.223 0.101 0.000 2.253 326 L HA -0.069 4.271 4.340 -0.000 0.000 0.205 326 L C 2.666 179.531 176.870 -0.009 0.000 1.078 326 L CA 1.362 56.227 54.840 0.043 0.000 0.805 326 L CB -0.775 41.298 42.059 0.024 0.000 0.963 326 L HN -0.111 nan 8.230 nan 0.000 0.459 327 S N 0.073 115.762 115.700 -0.018 0.000 2.371 327 S HA -0.129 4.341 4.470 -0.000 0.000 0.221 327 S C 1.938 176.500 174.600 -0.063 0.000 1.036 327 S CA 0.423 58.599 58.200 -0.040 0.000 0.965 327 S CB -0.644 62.535 63.200 -0.034 0.000 0.845 327 S HN 0.187 nan 8.310 nan 0.000 0.475 328 L N 3.367 124.569 121.223 -0.036 0.000 1.990 328 L HA 0.047 4.387 4.340 -0.000 0.000 0.213 328 L C -1.056 175.718 176.870 -0.161 0.000 1.072 328 L CA 2.052 56.872 54.840 -0.033 0.000 0.755 328 L CB -1.427 40.681 42.059 0.081 0.000 0.889 328 L HN 0.199 nan 8.230 nan 0.000 0.432 329 P HA -0.177 nan 4.420 nan 0.000 0.215 329 P C 1.419 178.419 177.300 -0.499 0.000 1.153 329 P CA 1.357 63.933 63.100 -0.872 0.000 0.853 329 P CB 0.051 31.354 31.700 -0.660 0.000 0.788 330 E N -0.079 119.956 120.200 -0.276 0.000 2.077 330 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 330 E C 1.881 178.401 176.600 -0.134 0.000 0.989 330 E CA 1.139 57.420 56.400 -0.200 0.000 0.800 330 E CB -1.046 28.593 29.700 -0.102 0.000 0.746 330 E HN 0.144 nan 8.360 nan 0.000 0.452 331 I N -0.379 120.118 120.570 -0.123 0.000 2.179 331 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 331 I C 1.898 177.956 176.117 -0.098 0.000 1.088 331 I CA 0.986 62.218 61.300 -0.114 0.000 1.357 331 I CB -0.392 37.514 38.000 -0.157 0.000 1.051 331 I HN 0.109 nan 8.210 nan 0.000 0.409 332 F N 1.330 121.172 119.950 -0.180 0.000 2.095 332 F HA -0.270 4.257 4.527 -0.000 0.000 0.298 332 F C 2.802 178.567 175.800 -0.058 0.000 1.104 332 F CA 1.768 59.705 58.000 -0.105 0.000 1.232 332 F CB -0.597 38.317 39.000 -0.143 0.000 0.987 332 F HN 0.071 nan 8.300 nan 0.000 0.475 333 Q N -0.263 119.568 119.800 0.052 0.000 2.124 333 Q HA -0.192 4.147 4.340 -0.000 0.000 0.202 333 Q C 2.291 178.406 176.000 0.192 0.000 0.977 333 Q CA 1.466 57.265 55.803 -0.008 0.000 0.850 333 Q CB -0.303 28.137 28.738 -0.497 0.000 0.901 333 Q HN 0.440 nan 8.270 nan 0.000 0.429 334 L N -0.481 120.849 121.223 0.177 0.000 2.109 334 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 334 L C 2.338 179.305 176.870 0.161 0.000 1.086 334 L CA 1.029 56.012 54.840 0.237 0.000 0.760 334 L CB -0.362 41.774 42.059 0.130 0.000 0.910 334 L HN 0.210 nan 8.230 nan 0.000 0.437 335 T N -0.159 114.458 114.554 0.105 0.000 2.737 335 T HA -0.123 4.227 4.350 -0.000 0.000 0.265 335 T C 2.023 176.802 174.700 0.131 0.000 1.038 335 T CA 1.297 63.447 62.100 0.083 0.000 1.144 335 T CB -0.198 68.679 68.868 0.016 0.000 0.866 335 T HN 0.412 nan 8.240 nan 0.000 0.434 336 A N 1.384 124.308 122.820 0.173 0.000 1.898 336 A HA 0.152 4.472 4.320 -0.000 0.000 0.216 336 A C 2.612 180.300 177.584 0.173 0.000 1.181 336 A CA 1.791 53.935 52.037 0.178 0.000 0.620 336 A CB -1.334 17.792 19.000 0.210 0.000 0.819 336 A HN 0.504 nan 8.150 nan 0.000 0.442 337 G N -0.476 108.453 108.800 0.215 0.000 2.418 337 G HA2 0.008 3.967 3.960 -0.000 0.000 0.217 337 G HA3 0.008 3.967 3.960 -0.000 0.000 0.217 337 G C 1.727 176.732 174.900 0.175 0.000 1.158 337 G CA 1.403 46.634 45.100 0.218 0.000 0.771 337 G HN 0.783 nan 8.290 nan 0.000 0.545 338 A N 0.350 123.270 122.820 0.167 0.000 1.930 338 A HA 0.172 4.492 4.320 -0.000 0.000 0.217 338 A C 2.425 180.099 177.584 0.148 0.000 1.175 338 A CA 1.071 53.197 52.037 0.147 0.000 0.627 338 A CB -0.337 18.729 19.000 0.111 0.000 0.815 338 A HN 0.351 nan 8.150 nan 0.000 0.443 339 L N -0.769 120.535 121.223 0.135 0.000 2.056 339 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 339 L C 2.669 179.595 176.870 0.094 0.000 1.078 339 L CA 1.838 56.748 54.840 0.116 0.000 0.749 339 L CB -0.425 41.689 42.059 0.091 0.000 0.901 339 L HN 0.653 nan 8.230 nan 0.000 0.433 340 E N 0.455 120.714 120.200 0.098 0.000 2.051 340 E HA -0.258 4.091 4.350 -0.000 0.000 0.192 340 E C 2.320 178.966 176.600 0.076 0.000 0.991 340 E CA 1.283 57.730 56.400 0.078 0.000 0.799 340 E CB 0.066 29.817 29.700 0.086 0.000 0.748 340 E HN 0.331 nan 8.360 nan 0.000 0.449 341 R N -0.282 120.281 120.500 0.105 0.000 2.092 341 R HA -0.046 4.293 4.340 -0.000 0.000 0.231 341 R C 2.489 178.857 176.300 0.115 0.000 1.119 341 R CA 1.798 57.964 56.100 0.111 0.000 0.970 341 R CB -0.271 30.119 30.300 0.150 0.000 0.864 341 R HN 0.193 nan 8.270 nan 0.000 0.440 342 T N 1.604 116.263 114.554 0.174 0.000 2.708 342 T HA -0.147 4.202 4.350 -0.000 0.000 0.266 342 T C 1.644 176.368 174.700 0.039 0.000 1.037 342 T CA 1.106 63.316 62.100 0.184 0.000 1.146 342 T CB -0.238 68.797 68.868 0.280 0.000 0.865 342 T HN 0.056 nan 8.240 nan 0.000 0.435 343 L N 1.874 123.117 121.223 0.034 0.000 1.989 343 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 343 L C 1.934 178.789 176.870 -0.025 0.000 1.071 343 L CA 1.931 56.768 54.840 -0.005 0.000 0.749 343 L CB -0.943 41.110 42.059 -0.009 0.000 0.890 343 L HN 0.104 nan 8.230 nan 0.000 0.431 344 D N -0.863 119.524 120.400 -0.023 0.000 2.133 344 D HA -0.202 4.438 4.640 -0.000 0.000 0.192 344 D C 2.307 178.549 176.300 -0.096 0.000 1.001 344 D CA 1.793 55.769 54.000 -0.040 0.000 0.844 344 D CB -0.380 40.405 40.800 -0.025 0.000 0.944 344 D HN 0.292 nan 8.370 nan 0.000 0.447 345 V N 0.684 120.485 119.914 -0.189 0.000 2.358 345 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 345 V C 2.616 178.558 176.094 -0.254 0.000 1.047 345 V CA 0.989 63.069 62.300 -0.367 0.000 1.035 345 V CB -0.374 30.893 31.823 -0.925 0.000 0.658 345 V HN 0.206 nan 8.190 nan 0.000 0.452 346 L N -0.618 120.520 121.223 -0.142 0.000 2.131 346 L HA -0.185 4.154 4.340 -0.000 0.000 0.210 346 L C 2.553 179.431 176.870 0.014 0.000 1.092 346 L CA 1.611 56.447 54.840 -0.007 0.000 0.759 346 L CB -0.469 41.639 42.059 0.081 0.000 0.903 346 L HN 0.305 nan 8.230 nan 0.000 0.435 347 K N -0.557 119.837 120.400 -0.010 0.000 2.076 347 K HA -0.007 4.313 4.320 -0.000 0.000 0.204 347 K C 1.642 178.246 176.600 0.007 0.000 1.051 347 K CA 1.147 57.438 56.287 0.006 0.000 0.949 347 K CB -0.120 32.378 32.500 -0.002 0.000 0.726 347 K HN 0.310 nan 8.250 nan 0.000 0.443 348 G N 0.567 109.355 108.800 -0.020 0.000 3.502 348 G HA2 0.092 4.052 3.960 -0.000 0.000 0.267 348 G HA3 0.092 4.052 3.960 -0.000 0.000 0.267 348 G C 0.079 174.971 174.900 -0.012 0.000 1.090 348 G CA -0.483 44.612 45.100 -0.009 0.000 0.795 348 G HN 0.081 nan 8.290 nan 0.000 0.535 349 M N 1.384 120.968 119.600 -0.026 0.000 2.290 349 M HA 0.075 4.555 4.480 -0.000 0.000 0.356 349 M C -0.336 175.981 176.300 0.029 0.000 1.448 349 M CA 0.689 55.969 55.300 -0.033 0.000 0.993 349 M CB 0.417 32.999 32.600 -0.031 0.000 1.934 349 M HN 0.078 nan 8.290 nan 0.000 0.461 350 E N 4.093 124.329 120.200 0.061 0.000 2.109 350 E HA 0.364 4.714 4.350 -0.000 0.000 0.278 350 E C -1.401 175.270 176.600 0.119 0.000 0.954 350 E CA -0.591 55.873 56.400 0.106 0.000 0.779 350 E CB 1.306 31.089 29.700 0.139 0.000 1.093 350 E HN 0.538 nan 8.360 nan 0.000 0.401 351 V N 4.722 124.667 119.914 0.051 0.000 2.407 351 V HA 0.169 4.289 4.120 -0.000 0.000 0.278 351 V C 0.187 176.330 176.094 0.081 0.000 1.037 351 V CA -0.784 61.503 62.300 -0.021 0.000 0.900 351 V CB 1.385 33.040 31.823 -0.281 0.000 0.983 351 V HN 0.573 nan 8.190 nan 0.000 0.459 352 N N 3.622 122.393 118.700 0.119 0.000 2.707 352 N HA 0.334 5.074 4.740 -0.000 0.000 0.235 352 N C 0.795 176.370 175.510 0.108 0.000 1.028 352 N CA 0.126 53.263 53.050 0.144 0.000 0.906 352 N CB 1.744 40.374 38.487 0.239 0.000 1.131 352 N HN 0.734 nan 8.380 nan 0.000 0.509 353 A N 2.974 125.855 122.820 0.101 0.000 1.978 353 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 353 A C 1.860 179.520 177.584 0.126 0.000 1.170 353 A CA 1.302 53.403 52.037 0.107 0.000 0.636 353 A CB -0.183 18.886 19.000 0.113 0.000 0.810 353 A HN 0.738 nan 8.150 nan 0.000 0.448 354 E N -0.269 120.002 120.200 0.118 0.000 2.072 354 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 354 E C 1.720 178.413 176.600 0.155 0.000 0.985 354 E CA 1.034 57.516 56.400 0.137 0.000 0.801 354 E CB -0.142 29.619 29.700 0.102 0.000 0.750 354 E HN 0.545 nan 8.360 nan 0.000 0.452 355 N N 0.438 119.213 118.700 0.125 0.000 2.166 355 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 355 N C 1.756 177.313 175.510 0.079 0.000 1.019 355 N CA 1.085 54.198 53.050 0.104 0.000 0.856 355 N CB -0.126 38.431 38.487 0.117 0.000 0.993 355 N HN 0.194 nan 8.380 nan 0.000 0.426 356 M N -0.504 119.147 119.600 0.086 0.000 2.117 356 M HA -0.180 4.300 4.480 -0.000 0.000 0.262 356 M C 2.106 178.442 176.300 0.060 0.000 1.065 356 M CA 1.416 56.753 55.300 0.062 0.000 1.114 356 M CB -0.377 32.261 32.600 0.064 0.000 1.361 356 M HN 0.240 nan 8.290 nan 0.000 0.408 357 H N 0.318 119.416 119.070 0.046 0.000 2.326 357 H HA -0.102 4.454 4.556 -0.000 0.000 0.301 357 H C 2.018 177.374 175.328 0.047 0.000 1.081 357 H CA 1.873 57.950 56.048 0.049 0.000 1.334 357 H CB -0.022 29.770 29.762 0.051 0.000 1.385 357 H HN 0.339 nan 8.280 nan 0.000 0.504 358 Q N -0.177 119.592 119.800 -0.051 0.000 2.096 358 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 358 Q C 1.737 177.682 176.000 -0.093 0.000 0.982 358 Q CA 1.407 57.170 55.803 -0.066 0.000 0.850 358 Q CB -0.027 28.739 28.738 0.045 0.000 0.901 358 Q HN 0.611 nan 8.270 nan 0.000 0.422 359 N N 0.536 119.202 118.700 -0.058 0.000 2.396 359 N HA -0.047 4.693 4.740 -0.000 0.000 0.180 359 N C 1.699 177.158 175.510 -0.086 0.000 1.028 359 N CA 0.693 53.710 53.050 -0.055 0.000 0.893 359 N CB -0.079 38.394 38.487 -0.024 0.000 0.967 359 N HN 0.281 nan 8.380 nan 0.000 0.440 360 I N 1.064 121.565 120.570 -0.114 0.000 2.493 360 I HA -0.150 4.020 4.170 -0.000 0.000 0.254 360 I C 1.678 177.719 176.117 -0.127 0.000 1.160 360 I CA 0.961 62.197 61.300 -0.107 0.000 1.445 360 I CB 0.035 37.970 38.000 -0.108 0.000 1.086 360 I HN -0.028 nan 8.210 nan 0.000 0.433 361 E N -0.266 119.831 120.200 -0.172 0.000 2.481 361 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 361 E C 2.054 178.529 176.600 -0.208 0.000 1.047 361 E CA 0.192 56.523 56.400 -0.115 0.000 0.867 361 E CB -0.424 29.235 29.700 -0.069 0.000 0.858 361 E HN 0.479 nan 8.360 nan 0.000 0.513 362 C N 1.247 120.417 119.300 -0.216 0.000 2.385 362 C HA -0.190 4.270 4.460 -0.000 0.000 0.275 362 C C 2.610 177.276 174.990 -0.540 0.000 1.207 362 C CA 2.225 61.067 59.018 -0.292 0.000 1.760 362 C CB -0.996 26.652 27.740 -0.154 0.000 2.051 362 C HN 0.511 nan 8.230 nan 0.000 0.467 363 T N -3.334 110.984 114.554 -0.393 0.000 3.188 363 T HA 0.145 4.495 4.350 -0.000 0.000 0.250 363 T C 0.374 174.866 174.700 -0.348 0.000 1.077 363 T CA 0.377 62.270 62.100 -0.344 0.000 0.967 363 T CB -0.693 68.082 68.868 -0.155 0.000 1.006 363 T HN 0.708 nan 8.240 nan 0.000 0.552 364 H N 0.832 119.827 119.070 -0.125 0.000 2.677 364 H HA -0.194 4.362 4.556 -0.000 0.000 0.321 364 H C 1.594 176.496 175.328 -0.711 0.000 1.171 364 H CA 0.886 56.759 56.048 -0.292 0.000 1.139 364 H CB -2.070 27.590 29.762 -0.171 0.000 1.515 364 H HN 0.873 nan 8.280 nan 0.000 0.423 365 G N -0.753 107.784 108.800 -0.438 0.000 2.205 365 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.261 365 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.261 365 G C 1.365 176.227 174.900 -0.063 0.000 0.980 365 G CA 0.473 45.438 45.100 -0.225 0.000 0.632 365 G HN 0.494 nan 8.290 nan 0.000 0.533 366 L N 0.513 121.675 121.223 -0.101 0.000 2.079 366 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 366 L C 2.895 179.722 176.870 -0.071 0.000 1.081 366 L CA 1.979 56.780 54.840 -0.065 0.000 0.752 366 L CB -0.535 41.489 42.059 -0.057 0.000 0.896 366 L HN 0.602 nan 8.230 nan 0.000 0.433 367 I N -3.662 116.866 120.570 -0.070 0.000 2.916 367 I HA -0.184 3.986 4.170 -0.000 0.000 0.267 367 I C 1.931 177.991 176.117 -0.095 0.000 1.263 367 I CA 1.369 62.633 61.300 -0.060 0.000 1.471 367 I CB -0.436 37.542 38.000 -0.037 0.000 1.089 367 I HN 0.149 nan 8.210 nan 0.000 0.468 368 M N 0.948 120.459 119.600 -0.148 0.000 2.494 368 M HA 0.339 4.819 4.480 -0.000 0.000 0.232 368 M C 2.210 178.268 176.300 -0.403 0.000 1.137 368 M CA 0.516 55.626 55.300 -0.318 0.000 1.012 368 M CB -0.893 31.446 32.600 -0.435 0.000 1.567 368 M HN 0.463 nan 8.290 nan 0.000 0.486 369 A N 1.550 124.224 122.820 -0.243 0.000 1.908 369 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 369 A C 2.112 179.556 177.584 -0.234 0.000 1.181 369 A CA 2.232 54.144 52.037 -0.209 0.000 0.627 369 A CB -0.620 18.306 19.000 -0.123 0.000 0.818 369 A HN 0.659 nan 8.150 nan 0.000 0.445 370 E N -0.161 119.909 120.200 -0.217 0.000 2.152 370 E HA 0.061 4.411 4.350 -0.000 0.000 0.192 370 E C 1.927 178.303 176.600 -0.373 0.000 0.983 370 E CA 1.011 57.301 56.400 -0.183 0.000 0.818 370 E CB -0.373 29.304 29.700 -0.039 0.000 0.758 370 E HN 0.453 nan 8.360 nan 0.000 0.467 371 A N 1.337 123.710 122.820 -0.745 0.000 1.902 371 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 371 A C 2.480 179.748 177.584 -0.527 0.000 1.181 371 A CA 1.568 52.996 52.037 -1.014 0.000 0.623 371 A CB -0.824 17.473 19.000 -1.172 0.000 0.818 371 A HN 0.212 nan 8.150 nan 0.000 0.443 372 V N -0.191 119.426 119.914 -0.494 0.000 2.407 372 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 372 V C 2.562 178.543 176.094 -0.189 0.000 1.055 372 V CA 2.107 64.190 62.300 -0.362 0.000 1.049 372 V CB -0.669 30.958 31.823 -0.327 0.000 0.662 372 V HN 0.646 nan 8.190 nan 0.000 0.455 373 M N -1.044 118.459 119.600 -0.160 0.000 2.159 373 M HA -0.165 4.315 4.480 -0.000 0.000 0.263 373 M C 2.198 178.481 176.300 -0.028 0.000 1.063 373 M CA 1.815 57.077 55.300 -0.065 0.000 1.110 373 M CB -0.158 32.415 32.600 -0.045 0.000 1.374 373 M HN 0.266 nan 8.290 nan 0.000 0.411 374 M N -0.270 119.295 119.600 -0.057 0.000 2.175 374 M HA -0.092 4.388 4.480 -0.000 0.000 0.264 374 M C 2.348 178.656 176.300 0.013 0.000 1.063 374 M CA 1.640 56.938 55.300 -0.003 0.000 1.119 374 M CB -1.596 31.025 32.600 0.034 0.000 1.377 374 M HN 0.352 nan 8.290 nan 0.000 0.415 375 A N 0.018 122.828 122.820 -0.016 0.000 1.972 375 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 375 A C 2.167 179.910 177.584 0.264 0.000 1.169 375 A CA 1.072 53.151 52.037 0.069 0.000 0.635 375 A CB -0.495 18.426 19.000 -0.131 0.000 0.810 375 A HN 0.372 nan 8.150 nan 0.000 0.446 376 L N -1.210 120.120 121.223 0.177 0.000 2.307 376 L HA 0.011 4.351 4.340 -0.000 0.000 0.211 376 L C 2.952 179.878 176.870 0.093 0.000 1.099 376 L CA 1.382 56.367 54.840 0.242 0.000 0.816 376 L CB -1.486 40.681 42.059 0.180 0.000 0.952 376 L HN 0.452 nan 8.230 nan 0.000 0.455 377 A N 1.361 124.205 122.820 0.040 0.000 1.903 377 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 377 A C -0.015 177.522 177.584 -0.078 0.000 1.191 377 A CA 2.020 54.054 52.037 -0.005 0.000 0.638 377 A CB -1.875 17.126 19.000 0.001 0.000 0.823 377 A HN 0.297 nan 8.150 nan 0.000 0.451 378 P HA -0.144 nan 4.420 nan 0.000 0.215 378 P C 0.858 177.915 177.300 -0.406 0.000 1.157 378 P CA 1.402 64.314 63.100 -0.314 0.000 0.868 378 P CB -0.256 31.168 31.700 -0.461 0.000 0.788 379 H N -2.679 116.222 119.070 -0.282 0.000 2.547 379 H HA 0.267 4.823 4.556 -0.000 0.000 0.266 379 H C 1.583 176.639 175.328 -0.452 0.000 0.988 379 H CA 0.781 56.490 56.048 -0.566 0.000 1.147 379 H CB 0.063 29.027 29.762 -1.331 0.000 1.365 379 H HN 0.249 nan 8.280 nan 0.000 0.589 380 M N -0.929 118.591 119.600 -0.133 0.000 2.040 380 M HA 0.238 4.718 4.480 -0.000 0.000 0.338 380 M C -0.351 175.957 176.300 0.014 0.000 0.905 380 M CA 0.577 55.866 55.300 -0.019 0.000 1.148 380 M CB 1.815 34.435 32.600 0.034 0.000 2.135 380 M HN 0.251 nan 8.290 nan 0.000 0.728 381 G N 1.543 110.339 108.800 -0.007 0.000 3.055 381 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.686 381 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.686 381 G C -0.156 174.762 174.900 0.030 0.000 1.087 381 G CA -0.211 44.893 45.100 0.008 0.000 0.779 381 G HN 0.366 nan 8.290 nan 0.000 0.599 382 R N 0.807 121.323 120.500 0.027 0.000 2.117 382 R HA -0.154 4.186 4.340 -0.000 0.000 0.243 382 R C 2.624 178.977 176.300 0.088 0.000 1.143 382 R CA 2.255 58.385 56.100 0.049 0.000 0.968 382 R CB -0.353 29.966 30.300 0.032 0.000 0.863 382 R HN 0.678 nan 8.270 nan 0.000 0.444 383 L N -0.519 120.747 121.223 0.072 0.000 1.994 383 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 383 L C 2.075 179.037 176.870 0.153 0.000 1.071 383 L CA 1.648 56.545 54.840 0.095 0.000 0.745 383 L CB -0.827 41.263 42.059 0.052 0.000 0.892 383 L HN 0.075 nan 8.230 nan 0.000 0.431 384 N N 0.144 118.914 118.700 0.118 0.000 2.166 384 N HA -0.135 4.604 4.740 -0.000 0.000 0.186 384 N C 1.872 177.474 175.510 0.153 0.000 1.019 384 N CA 1.435 54.568 53.050 0.138 0.000 0.856 384 N CB -0.190 38.359 38.487 0.104 0.000 0.993 384 N HN 0.390 nan 8.380 nan 0.000 0.426 385 A N -0.463 122.431 122.820 0.124 0.000 1.873 385 A HA -0.194 4.126 4.320 -0.000 0.000 0.215 385 A C 2.025 179.661 177.584 0.087 0.000 1.186 385 A CA 1.843 53.940 52.037 0.101 0.000 0.616 385 A CB -1.100 17.948 19.000 0.080 0.000 0.823 385 A HN 0.558 nan 8.150 nan 0.000 0.442 386 H N -1.550 117.552 119.070 0.053 0.000 2.387 386 H HA -0.234 4.322 4.556 -0.000 0.000 0.299 386 H C 1.974 177.329 175.328 0.045 0.000 1.099 386 H CA 2.383 58.455 56.048 0.039 0.000 1.315 386 H CB -0.273 29.515 29.762 0.045 0.000 1.380 386 H HN 0.695 nan 8.280 nan 0.000 0.513 387 H N -0.848 118.256 119.070 0.058 0.000 2.395 387 H HA -0.018 4.538 4.556 -0.000 0.000 0.299 387 H C 2.176 177.487 175.328 -0.028 0.000 1.070 387 H CA 1.490 57.551 56.048 0.021 0.000 1.356 387 H CB -0.135 29.675 29.762 0.079 0.000 1.401 387 H HN 0.251 nan 8.280 nan 0.000 0.524 388 V N -0.542 119.339 119.914 -0.054 0.000 2.453 388 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 388 V C 2.352 178.368 176.094 -0.130 0.000 1.048 388 V CA 1.365 63.622 62.300 -0.072 0.000 1.049 388 V CB -0.269 31.583 31.823 0.048 0.000 0.672 388 V HN 0.313 nan 8.190 nan 0.000 0.457 389 V N 0.013 119.837 119.914 -0.149 0.000 2.379 389 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 389 V C 2.435 178.401 176.094 -0.212 0.000 1.044 389 V CA 2.151 64.359 62.300 -0.153 0.000 1.036 389 V CB -0.487 31.245 31.823 -0.152 0.000 0.664 389 V HN 0.680 nan 8.190 nan 0.000 0.453 390 E N 0.658 120.653 120.200 -0.342 0.000 2.077 390 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 390 E C 2.184 178.650 176.600 -0.225 0.000 0.989 390 E CA 1.457 57.675 56.400 -0.304 0.000 0.800 390 E CB -0.177 29.297 29.700 -0.377 0.000 0.746 390 E HN 0.547 nan 8.360 nan 0.000 0.452 391 A N 1.149 123.797 122.820 -0.288 0.000 1.930 391 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 391 A C 2.373 179.890 177.584 -0.111 0.000 1.175 391 A CA 1.569 53.484 52.037 -0.203 0.000 0.627 391 A CB -0.606 18.247 19.000 -0.244 0.000 0.815 391 A HN 0.414 nan 8.150 nan 0.000 0.443 392 A N -1.019 121.741 122.820 -0.100 0.000 1.930 392 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 392 A C 2.260 179.820 177.584 -0.040 0.000 1.175 392 A CA 1.604 53.613 52.037 -0.047 0.000 0.627 392 A CB -1.171 17.817 19.000 -0.020 0.000 0.815 392 A HN 0.587 nan 8.150 nan 0.000 0.443 393 C N -0.746 118.518 119.300 -0.060 0.000 2.446 393 C HA -0.047 4.413 4.460 -0.000 0.000 0.277 393 C C 2.681 177.647 174.990 -0.040 0.000 1.275 393 C CA 1.206 60.196 59.018 -0.047 0.000 1.727 393 C CB -1.000 26.702 27.740 -0.063 0.000 2.010 393 C HN 0.616 nan 8.230 nan 0.000 0.486 394 K N 0.334 120.705 120.400 -0.049 0.000 2.063 394 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 394 K C 2.007 178.591 176.600 -0.027 0.000 1.048 394 K CA 1.916 58.181 56.287 -0.036 0.000 0.928 394 K CB -0.363 32.114 32.500 -0.039 0.000 0.713 394 K HN 0.495 nan 8.250 nan 0.000 0.442 395 T N 0.786 115.323 114.554 -0.029 0.000 2.737 395 T HA -0.124 4.225 4.350 -0.000 0.000 0.265 395 T C 1.954 176.643 174.700 -0.019 0.000 1.038 395 T CA 1.321 63.409 62.100 -0.021 0.000 1.144 395 T CB -0.240 68.616 68.868 -0.019 0.000 0.866 395 T HN 0.310 nan 8.240 nan 0.000 0.434 396 A N 0.934 123.743 122.820 -0.018 0.000 1.933 396 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 396 A C 2.561 180.134 177.584 -0.018 0.000 1.175 396 A CA 1.249 53.276 52.037 -0.016 0.000 0.628 396 A CB -0.912 18.082 19.000 -0.010 0.000 0.814 396 A HN 0.364 nan 8.150 nan 0.000 0.444 397 V N -0.351 119.554 119.914 -0.016 0.000 2.379 397 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 397 V C 3.037 179.122 176.094 -0.015 0.000 1.044 397 V CA 1.714 64.007 62.300 -0.011 0.000 1.036 397 V CB -1.163 30.655 31.823 -0.009 0.000 0.664 397 V HN 0.598 nan 8.190 nan 0.000 0.453 398 A N -0.169 122.642 122.820 -0.016 0.000 1.902 398 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 398 A C 2.091 179.664 177.584 -0.018 0.000 1.181 398 A CA 1.879 53.907 52.037 -0.015 0.000 0.623 398 A CB -0.417 18.576 19.000 -0.013 0.000 0.818 398 A HN 0.633 nan 8.150 nan 0.000 0.443 399 E N -0.515 119.672 120.200 -0.022 0.000 2.478 399 E HA 0.002 4.351 4.350 -0.000 0.000 0.194 399 E C -0.423 176.153 176.600 -0.039 0.000 1.045 399 E CA 0.087 56.471 56.400 -0.026 0.000 0.868 399 E CB -0.019 29.667 29.700 -0.024 0.000 0.885 399 E HN 0.597 nan 8.360 nan 0.000 0.505 400 Q N 0.784 120.557 119.800 -0.045 0.000 2.452 400 Q HA -0.190 4.150 4.340 -0.000 0.000 0.318 400 Q C -0.581 175.353 176.000 -0.110 0.000 1.386 400 Q CA 0.824 56.580 55.803 -0.078 0.000 0.872 400 Q CB -0.953 27.738 28.738 -0.078 0.000 1.151 400 Q HN 0.163 nan 8.270 nan 0.000 0.417 401 K N 0.061 120.416 120.400 -0.075 0.000 2.352 401 K HA 0.380 4.699 4.320 -0.000 0.000 0.240 401 K C -0.193 176.398 176.600 -0.015 0.000 1.017 401 K CA -0.941 55.314 56.287 -0.052 0.000 0.851 401 K CB 1.273 33.760 32.500 -0.023 0.000 1.261 401 K HN 0.180 nan 8.250 nan 0.000 0.451 402 H N 1.718 120.750 119.070 -0.063 0.000 2.815 402 H HA -0.014 4.542 4.556 -0.000 0.000 0.350 402 H C 0.990 176.299 175.328 -0.032 0.000 1.080 402 H CA 0.187 56.231 56.048 -0.007 0.000 1.433 402 H CB 1.105 30.847 29.762 -0.033 0.000 1.432 402 H HN 0.423 nan 8.280 nan 0.000 0.592 403 L N 5.147 126.328 121.223 -0.071 0.000 2.127 403 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 403 L C 2.474 179.375 176.870 0.052 0.000 1.089 403 L CA 1.852 56.729 54.840 0.062 0.000 0.757 403 L CB -0.536 41.609 42.059 0.143 0.000 0.899 403 L HN 0.662 nan 8.230 nan 0.000 0.434 404 K N -0.749 119.630 120.400 -0.034 0.000 2.057 404 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 404 K C 1.697 178.127 176.600 -0.283 0.000 1.049 404 K CA 1.694 57.554 56.287 -0.711 0.000 0.931 404 K CB -0.123 31.719 32.500 -1.097 0.000 0.714 404 K HN 0.368 nan 8.250 nan 0.000 0.440 405 D N 0.816 121.139 120.400 -0.128 0.000 2.149 405 D HA -0.180 4.460 4.640 -0.000 0.000 0.198 405 D C 1.853 178.121 176.300 -0.052 0.000 0.990 405 D CA 0.990 54.939 54.000 -0.086 0.000 0.839 405 D CB -0.033 40.740 40.800 -0.044 0.000 0.948 405 D HN 0.225 nan 8.370 nan 0.000 0.460 406 I N 0.432 120.986 120.570 -0.026 0.000 2.277 406 I HA -0.097 4.073 4.170 -0.000 0.000 0.243 406 I C 2.571 178.689 176.117 0.002 0.000 1.094 406 I CA 0.418 61.713 61.300 -0.009 0.000 1.393 406 I CB -0.860 37.141 38.000 0.001 0.000 1.078 406 I HN -0.035 nan 8.210 nan 0.000 0.417 407 I N 1.197 121.778 120.570 0.018 0.000 2.361 407 I HA -0.287 3.883 4.170 -0.000 0.000 0.251 407 I C 2.643 178.783 176.117 0.039 0.000 1.133 407 I CA 1.375 62.708 61.300 0.055 0.000 1.413 407 I CB -0.002 38.086 38.000 0.146 0.000 1.073 407 I HN 0.248 nan 8.210 nan 0.000 0.424 408 S N 0.250 115.945 115.700 -0.009 0.000 2.474 408 S HA -0.232 4.238 4.470 -0.000 0.000 0.235 408 S C 1.653 176.257 174.600 0.006 0.000 0.997 408 S CA 0.932 59.128 58.200 -0.006 0.000 0.949 408 S CB -0.437 62.730 63.200 -0.055 0.000 0.766 408 S HN 0.732 nan 8.310 nan 0.000 0.517 409 Q N 0.503 120.304 119.800 0.001 0.000 2.220 409 Q HA 0.344 4.684 4.340 -0.000 0.000 0.205 409 Q C -0.543 175.465 176.000 0.013 0.000 0.865 409 Q CA -0.248 55.557 55.803 0.003 0.000 0.960 409 Q CB 0.182 28.916 28.738 -0.007 0.000 1.097 409 Q HN 0.366 nan 8.270 nan 0.000 0.493 410 V N 2.789 122.720 119.914 0.028 0.000 2.432 410 V HA 0.002 4.122 4.120 -0.000 0.000 0.271 410 V C 0.757 176.876 176.094 0.041 0.000 1.046 410 V CA -0.210 62.112 62.300 0.037 0.000 0.945 410 V CB 1.325 33.180 31.823 0.053 0.000 0.992 410 V HN 0.273 nan 8.190 nan 0.000 0.471 411 D N 3.524 123.940 120.400 0.026 0.000 2.108 411 D HA -0.193 4.447 4.640 -0.000 0.000 0.190 411 D C 1.839 178.140 176.300 0.003 0.000 0.995 411 D CA 1.628 55.633 54.000 0.008 0.000 0.834 411 D CB 0.149 40.949 40.800 -0.001 0.000 0.967 411 D HN 0.710 nan 8.370 nan 0.000 0.446 412 E N 0.397 120.617 120.200 0.035 0.000 2.164 412 E HA -0.173 4.177 4.350 -0.000 0.000 0.206 412 E C 2.279 178.935 176.600 0.093 0.000 1.032 412 E CA 0.574 57.013 56.400 0.064 0.000 0.832 412 E CB -0.555 29.232 29.700 0.145 0.000 0.742 412 E HN 0.189 nan 8.360 nan 0.000 0.460 413 V N 0.469 120.473 119.914 0.151 0.000 2.270 413 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 413 V C 1.958 178.156 176.094 0.174 0.000 1.043 413 V CA 1.958 64.410 62.300 0.253 0.000 1.014 413 V CB -0.423 31.533 31.823 0.222 0.000 0.645 413 V HN 0.203 nan 8.190 nan 0.000 0.447 414 K N -0.295 120.145 120.400 0.066 0.000 2.211 414 K HA -0.201 4.119 4.320 -0.000 0.000 0.204 414 K C 2.271 178.817 176.600 -0.090 0.000 1.047 414 K CA 0.988 57.287 56.287 0.020 0.000 0.935 414 K CB -0.203 32.295 32.500 -0.003 0.000 0.728 414 K HN 0.343 nan 8.250 nan 0.000 0.452 415 Q N -0.563 119.101 119.800 -0.226 0.000 2.226 415 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 415 Q C 0.862 176.459 176.000 -0.672 0.000 0.975 415 Q CA 1.638 57.146 55.803 -0.491 0.000 0.866 415 Q CB 0.192 28.487 28.738 -0.738 0.000 0.915 415 Q HN 0.520 nan 8.270 nan 0.000 0.440 416 Y N -2.933 117.220 120.300 -0.244 0.000 2.426 416 Y HA 0.248 4.798 4.550 -0.000 0.000 0.249 416 Y C -0.090 175.322 175.900 -0.813 0.000 1.103 416 Y CA -0.324 57.393 58.100 -0.638 0.000 1.256 416 Y CB 0.778 38.614 38.460 -1.040 0.000 1.208 416 Y HN -0.150 nan 8.280 nan 0.000 0.519 417 F N 1.104 121.072 119.950 0.030 0.000 2.569 417 F HA 0.371 4.898 4.527 -0.000 0.000 0.312 417 F C -0.266 175.542 175.800 0.013 0.000 1.109 417 F CA -1.528 56.489 58.000 0.028 0.000 0.919 417 F CB 1.233 40.269 39.000 0.062 0.000 1.211 417 F HN -0.168 nan 8.300 nan 0.000 0.446 418 N N 3.137 121.952 118.700 0.191 0.000 2.408 418 N HA 0.233 4.973 4.740 -0.000 0.000 0.260 418 N C -2.148 173.426 175.510 0.106 0.000 1.242 418 N CA -1.498 51.615 53.050 0.106 0.000 0.959 418 N CB 0.407 38.936 38.487 0.070 0.000 1.201 418 N HN 0.212 nan 8.380 nan 0.000 0.511 419 P HA -0.157 nan 4.420 nan 0.000 0.216 419 P C 1.613 178.936 177.300 0.039 0.000 1.150 419 P CA 1.727 64.848 63.100 0.035 0.000 0.837 419 P CB 0.087 31.793 31.700 0.010 0.000 0.786 420 S N -0.760 114.967 115.700 0.046 0.000 2.383 420 S HA -0.233 4.237 4.470 -0.000 0.000 0.227 420 S C 2.013 176.653 174.600 0.066 0.000 1.026 420 S CA 1.117 59.344 58.200 0.045 0.000 0.981 420 S CB -1.225 62.000 63.200 0.041 0.000 0.818 420 S HN 0.195 nan 8.310 nan 0.000 0.472 421 Q N 0.497 120.360 119.800 0.104 0.000 2.167 421 Q HA 0.147 4.487 4.340 -0.000 0.000 0.202 421 Q C 2.248 178.280 176.000 0.054 0.000 0.970 421 Q CA 1.194 57.076 55.803 0.132 0.000 0.855 421 Q CB -0.327 28.585 28.738 0.291 0.000 0.911 421 Q HN 0.538 nan 8.270 nan 0.000 0.438 422 L N 0.590 121.845 121.223 0.054 0.000 2.056 422 L HA -0.186 4.154 4.340 -0.000 0.000 0.207 422 L C 1.560 178.497 176.870 0.112 0.000 1.078 422 L CA 0.915 55.780 54.840 0.041 0.000 0.749 422 L CB -0.283 41.800 42.059 0.041 0.000 0.901 422 L HN 0.243 nan 8.230 nan 0.000 0.433 423 D N -0.274 120.162 120.400 0.060 0.000 2.178 423 D HA -0.166 4.474 4.640 -0.000 0.000 0.201 423 D C 2.116 178.476 176.300 0.099 0.000 0.980 423 D CA 0.894 54.932 54.000 0.064 0.000 0.842 423 D CB 0.056 40.868 40.800 0.021 0.000 0.948 423 D HN 0.289 nan 8.370 nan 0.000 0.472 424 E N 0.419 120.662 120.200 0.073 0.000 2.072 424 E HA -0.038 4.312 4.350 -0.000 0.000 0.190 424 E C 2.463 179.088 176.600 0.042 0.000 0.982 424 E CA 0.113 56.548 56.400 0.059 0.000 0.803 424 E CB -0.143 29.587 29.700 0.050 0.000 0.755 424 E HN 0.359 nan 8.360 nan 0.000 0.453 425 I N 0.203 120.778 120.570 0.009 0.000 2.335 425 I HA -0.247 3.923 4.170 -0.000 0.000 0.251 425 I C 1.666 177.701 176.117 -0.136 0.000 1.129 425 I CA 0.988 62.228 61.300 -0.099 0.000 1.402 425 I CB -0.121 37.746 38.000 -0.220 0.000 1.069 425 I HN -0.032 nan 8.210 nan 0.000 0.424 426 F N 1.011 120.924 119.950 -0.062 0.000 2.797 426 F HA 0.101 4.628 4.527 -0.000 0.000 0.302 426 F C 1.054 176.862 175.800 0.013 0.000 1.130 426 F CA 0.249 58.236 58.000 -0.022 0.000 1.387 426 F CB -0.179 38.828 39.000 0.011 0.000 1.107 426 F HN -0.188 nan 8.300 nan 0.000 0.577 427 K N 1.212 121.688 120.400 0.126 0.000 2.297 427 K HA 0.106 4.426 4.320 -0.000 0.000 0.286 427 K C -1.766 174.884 176.600 0.083 0.000 1.053 427 K CA -1.512 54.842 56.287 0.111 0.000 0.940 427 K CB 0.703 33.256 32.500 0.089 0.000 1.019 427 K HN -0.120 nan 8.250 nan 0.000 0.475 428 P HA -0.216 nan 4.420 nan 0.000 0.216 428 P C 0.366 177.723 177.300 0.095 0.000 1.154 428 P CA 1.400 64.553 63.100 0.089 0.000 0.865 428 P CB 0.264 32.018 31.700 0.089 0.000 0.789 429 E N -0.507 119.746 120.200 0.088 0.000 2.265 429 E HA -0.128 4.222 4.350 -0.000 0.000 0.196 429 E C 1.850 178.496 176.600 0.076 0.000 0.996 429 E CA 1.491 57.938 56.400 0.078 0.000 0.832 429 E CB -0.754 28.986 29.700 0.067 0.000 0.756 429 E HN 0.350 nan 8.360 nan 0.000 0.491 430 S N -0.697 115.054 115.700 0.085 0.000 2.603 430 S HA -0.044 4.426 4.470 -0.000 0.000 0.220 430 S C 0.375 175.079 174.600 0.172 0.000 0.967 430 S CA -0.129 58.125 58.200 0.091 0.000 0.920 430 S CB 0.045 63.282 63.200 0.061 0.000 0.773 430 S HN 0.282 nan 8.310 nan 0.000 0.529 431 Y N 1.228 121.512 120.300 -0.027 0.000 2.473 431 Y HA 0.531 5.081 4.550 -0.000 0.000 0.345 431 Y C 0.138 176.018 175.900 -0.035 0.000 0.932 431 Y CA -1.301 56.776 58.100 -0.039 0.000 1.124 431 Y CB 0.166 38.590 38.460 -0.059 0.000 1.162 431 Y HN 0.182 nan 8.280 nan 0.000 0.629 432 L N 0.406 121.573 121.223 -0.093 0.000 2.728 432 L HA 0.351 4.690 4.340 -0.000 0.000 0.238 432 L C 1.623 178.373 176.870 -0.201 0.000 1.143 432 L CA 0.323 55.081 54.840 -0.137 0.000 0.937 432 L CB -0.166 41.857 42.059 -0.060 0.000 1.225 432 L HN 0.619 nan 8.230 nan 0.000 0.507 433 G N 2.464 111.118 108.800 -0.243 0.000 2.652 433 G HA2 -0.444 3.516 3.960 -0.000 0.000 0.318 433 G HA3 -0.444 3.516 3.960 -0.000 0.000 0.318 433 G C 0.569 175.386 174.900 -0.138 0.000 1.295 433 G CA 0.651 45.627 45.100 -0.207 0.000 0.999 433 G HN 0.590 nan 8.290 nan 0.000 0.548 434 N N 1.450 120.069 118.700 -0.133 0.000 2.378 434 N HA 0.245 4.985 4.740 -0.000 0.000 0.243 434 N C 1.702 177.129 175.510 -0.138 0.000 1.137 434 N CA 0.436 53.425 53.050 -0.102 0.000 0.862 434 N CB -0.044 38.402 38.487 -0.069 0.000 1.116 434 N HN 0.655 nan 8.380 nan 0.000 0.499 435 I N 0.060 120.505 120.570 -0.209 0.000 2.264 435 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 435 I C 1.963 177.976 176.117 -0.174 0.000 1.111 435 I CA 1.070 62.173 61.300 -0.329 0.000 1.382 435 I CB 0.053 37.806 38.000 -0.412 0.000 1.060 435 I HN 0.193 nan 8.210 nan 0.000 0.418 436 Q N 0.218 119.961 119.800 -0.095 0.000 2.123 436 Q HA -0.175 4.165 4.340 -0.000 0.000 0.199 436 Q C 1.735 177.719 176.000 -0.027 0.000 0.966 436 Q CA 1.291 57.066 55.803 -0.047 0.000 0.845 436 Q CB -0.441 28.296 28.738 -0.000 0.000 0.907 436 Q HN 0.498 nan 8.270 nan 0.000 0.439 437 D N 0.847 121.230 120.400 -0.029 0.000 2.117 437 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 437 D C 1.979 178.279 176.300 0.001 0.000 0.987 437 D CA 0.994 54.987 54.000 -0.012 0.000 0.829 437 D CB -0.026 40.765 40.800 -0.015 0.000 0.961 437 D HN 0.338 nan 8.370 nan 0.000 0.460 438 Q N -0.053 119.747 119.800 -0.001 0.000 2.079 438 Q HA -0.052 4.288 4.340 -0.000 0.000 0.200 438 Q C 2.471 178.511 176.000 0.068 0.000 0.974 438 Q CA 0.713 56.547 55.803 0.051 0.000 0.840 438 Q CB 0.021 28.827 28.738 0.112 0.000 0.898 438 Q HN 0.348 nan 8.270 nan 0.000 0.430 439 I N 1.053 121.656 120.570 0.055 0.000 2.226 439 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 439 I C 1.579 177.708 176.117 0.021 0.000 1.100 439 I CA 0.954 62.280 61.300 0.044 0.000 1.374 439 I CB -0.304 37.700 38.000 0.007 0.000 1.057 439 I HN 0.170 nan 8.210 nan 0.000 0.413 440 D N 1.202 121.608 120.400 0.011 0.000 2.117 440 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 440 D C 2.284 178.597 176.300 0.021 0.000 0.987 440 D CA 1.551 55.558 54.000 0.011 0.000 0.829 440 D CB -0.139 40.666 40.800 0.008 0.000 0.961 440 D HN 0.333 nan 8.370 nan 0.000 0.460 441 A N 0.910 123.746 122.820 0.027 0.000 1.908 441 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 441 A C 2.448 180.061 177.584 0.047 0.000 1.181 441 A CA 2.051 54.109 52.037 0.034 0.000 0.627 441 A CB -0.854 18.167 19.000 0.034 0.000 0.818 441 A HN 0.246 nan 8.150 nan 0.000 0.445 442 V N -1.102 118.845 119.914 0.055 0.000 2.667 442 V HA -0.070 4.050 4.120 -0.000 0.000 0.252 442 V C 2.064 178.201 176.094 0.071 0.000 1.065 442 V CA 1.786 64.132 62.300 0.077 0.000 1.083 442 V CB -0.524 31.354 31.823 0.091 0.000 0.692 442 V HN 0.475 nan 8.190 nan 0.000 0.468 443 L N -0.278 120.966 121.223 0.036 0.000 2.201 443 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 443 L C 2.897 179.780 176.870 0.022 0.000 1.105 443 L CA 1.829 56.675 54.840 0.011 0.000 0.775 443 L CB -0.469 41.587 42.059 -0.004 0.000 0.913 443 L HN 0.403 nan 8.230 nan 0.000 0.440 444 Q N 0.079 119.899 119.800 0.034 0.000 2.096 444 Q HA -0.193 4.147 4.340 -0.000 0.000 0.197 444 Q C 1.877 177.911 176.000 0.057 0.000 0.964 444 Q CA 1.377 57.202 55.803 0.037 0.000 0.838 444 Q CB 0.041 28.798 28.738 0.031 0.000 0.906 444 Q HN 0.608 nan 8.270 nan 0.000 0.444 445 E N 0.478 120.724 120.200 0.076 0.000 2.455 445 E HA -0.035 4.315 4.350 -0.000 0.000 0.202 445 E C 0.440 177.122 176.600 0.136 0.000 1.045 445 E CA 0.425 56.882 56.400 0.096 0.000 0.872 445 E CB -0.067 29.693 29.700 0.100 0.000 0.792 445 E HN 0.165 nan 8.360 nan 0.000 0.542 446 A N 0.000 122.900 122.820 0.133 0.000 2.254 446 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 446 A CA 0.000 52.124 52.037 0.146 0.000 0.836 446 A CB 0.000 19.021 19.000 0.035 0.000 0.831 446 A HN 0.000 nan 8.150 nan 0.000 0.486