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 1xpy_1_D DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKFR FETSFGVQTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TIAGALDLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LGTLLGGHKE QVEVGVSLGI QADEQATVDL DATA SEQUENCE VRRHVEQGYR RIKLKIKPGW DVQPVRATRE AFPDIRLTVD ANSAYTLADA DATA SEQUENCE GRLRQLDEYD LTYIEQPLAW DDLVDHAELA RRIRTPLCLD ESVASASDAR DATA SEQUENCE KALALGAGGV INLKVARVGG HAESRRVHDV AQSFGAPVWC GGMLESGIGR DATA SEQUENCE AHNIHLSTLS NFRLPGDTSS ASRYWERDLI QEPLEAVDGL MPVPQGPGTG DATA SEQUENCE VTLDREFLAT VTEAQEEHRA 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 175.767 176.300 -0.888 0.000 0.893 6 R CA 0.000 55.889 56.100 -0.352 0.000 0.921 6 R CB 0.000 30.149 30.300 -0.252 0.000 0.687 7 M N 1.267 120.487 119.600 -0.634 0.000 2.202 7 M HA 0.391 4.871 4.480 -0.000 0.000 0.316 7 M C -0.761 175.131 176.300 -0.680 0.000 1.138 7 M CA 0.771 55.752 55.300 -0.531 0.000 1.151 7 M CB 0.489 32.947 32.600 -0.237 0.000 1.422 7 M HN 0.343 nan 8.290 nan 0.000 0.471 8 F N 0.059 120.077 119.950 0.113 0.000 2.599 8 F HA 0.463 4.990 4.527 -0.000 0.000 0.311 8 F C -0.279 175.589 175.800 0.114 0.000 1.076 8 F CA -1.077 57.002 58.000 0.133 0.000 0.937 8 F CB 1.892 41.020 39.000 0.213 0.000 1.282 8 F HN 0.354 nan 8.300 nan 0.000 0.460 9 K N 3.788 124.384 120.400 0.328 0.000 2.413 9 K HA 0.508 4.828 4.320 -0.000 0.000 0.257 9 K C -1.209 175.509 176.600 0.197 0.000 0.946 9 K CA -0.473 55.928 56.287 0.190 0.000 0.823 9 K CB 1.100 33.670 32.500 0.116 0.000 1.109 9 K HN 0.628 nan 8.250 nan 0.000 0.427 10 I N 4.890 125.594 120.570 0.222 0.000 2.329 10 I HA 0.038 4.208 4.170 -0.000 0.000 0.295 10 I C 0.612 176.821 176.117 0.153 0.000 1.109 10 I CA 0.048 61.466 61.300 0.196 0.000 1.297 10 I CB 0.882 39.020 38.000 0.230 0.000 1.433 10 I HN 0.787 nan 8.210 nan 0.000 0.509 11 E N 4.354 124.639 120.200 0.141 0.000 2.190 11 E HA 0.210 4.560 4.350 -0.000 0.000 0.191 11 E C 0.495 177.169 176.600 0.123 0.000 0.978 11 E CA 0.399 56.867 56.400 0.114 0.000 0.839 11 E CB 0.426 30.183 29.700 0.095 0.000 0.787 11 E HN 0.797 nan 8.360 nan 0.000 0.473 12 A N 0.053 122.977 122.820 0.172 0.000 2.610 12 A HA 0.799 5.119 4.320 -0.000 0.000 0.291 12 A C -1.687 176.042 177.584 0.242 0.000 1.086 12 A CA -0.297 51.852 52.037 0.187 0.000 0.677 12 A CB 1.611 20.693 19.000 0.136 0.000 1.278 12 A HN 0.065 nan 8.150 nan 0.000 0.414 13 A N 0.617 123.571 122.820 0.225 0.000 2.422 13 A HA 0.755 5.075 4.320 -0.000 0.000 0.302 13 A C -0.929 176.779 177.584 0.206 0.000 1.041 13 A CA -0.395 51.759 52.037 0.196 0.000 0.708 13 A CB 1.110 20.202 19.000 0.153 0.000 1.257 13 A HN 0.725 nan 8.150 nan 0.000 0.414 14 E N 1.438 121.734 120.200 0.159 0.000 2.183 14 E HA 0.553 4.903 4.350 -0.000 0.000 0.271 14 E C -1.209 175.448 176.600 0.096 0.000 0.919 14 E CA -0.473 56.001 56.400 0.123 0.000 0.781 14 E CB 2.358 32.128 29.700 0.116 0.000 1.140 14 E HN 0.581 nan 8.360 nan 0.000 0.402 15 I N 2.826 123.454 120.570 0.097 0.000 2.362 15 I HA 0.277 4.447 4.170 -0.000 0.000 0.289 15 I C -0.831 175.302 176.117 0.028 0.000 0.994 15 I CA -0.891 60.448 61.300 0.064 0.000 1.158 15 I CB 1.448 39.502 38.000 0.090 0.000 1.315 15 I HN 0.170 nan 8.210 nan 0.000 0.451 16 V N 7.263 127.181 119.914 0.007 0.000 2.483 16 V HA 0.380 4.500 4.120 -0.000 0.000 0.297 16 V C -0.156 175.919 176.094 -0.031 0.000 1.027 16 V CA -0.714 61.577 62.300 -0.015 0.000 0.855 16 V CB 2.036 33.847 31.823 -0.020 0.000 0.995 16 V HN 0.369 nan 8.190 nan 0.000 0.424 17 V N 3.978 123.870 119.914 -0.037 0.000 2.398 17 V HA 0.881 5.001 4.120 -0.000 0.000 0.286 17 V C 0.404 176.458 176.094 -0.067 0.000 1.026 17 V CA -0.261 62.011 62.300 -0.046 0.000 0.868 17 V CB 1.398 33.201 31.823 -0.034 0.000 0.982 17 V HN 1.018 nan 8.190 nan 0.000 0.443 18 A N 5.662 128.430 122.820 -0.087 0.000 2.423 18 A HA 1.002 5.322 4.320 -0.000 0.000 0.304 18 A C -0.418 177.101 177.584 -0.107 0.000 1.104 18 A CA -0.987 50.979 52.037 -0.119 0.000 0.757 18 A CB 1.710 20.608 19.000 -0.170 0.000 1.313 18 A HN 0.935 nan 8.150 nan 0.000 0.423 19 R N 0.871 121.311 120.500 -0.100 0.000 2.628 19 R HA 0.773 5.112 4.340 -0.000 0.000 0.288 19 R C -1.861 174.392 176.300 -0.078 0.000 0.980 19 R CA -0.610 55.456 56.100 -0.055 0.000 0.891 19 R CB 1.157 31.482 30.300 0.040 0.000 1.188 19 R HN 0.481 nan 8.270 nan 0.000 0.450 20 L N 2.674 123.820 121.223 -0.127 0.000 2.346 20 L HA 0.574 4.914 4.340 -0.000 0.000 0.274 20 L C -2.338 174.443 176.870 -0.148 0.000 1.007 20 L CA -2.703 52.047 54.840 -0.149 0.000 0.818 20 L CB 2.370 44.183 42.059 -0.411 0.000 1.284 20 L HN 0.410 nan 8.230 nan 0.000 0.424 21 P HA 0.185 nan 4.420 nan 0.000 0.272 21 P C -1.074 176.185 177.300 -0.068 0.000 1.223 21 P CA -0.407 62.362 63.100 -0.551 0.000 0.784 21 P CB 0.808 32.315 31.700 -0.322 0.000 0.923 22 L N 2.630 123.768 121.223 -0.142 0.000 2.322 22 L HA 0.306 4.646 4.340 -0.000 0.000 0.281 22 L C 1.182 177.909 176.870 -0.239 0.000 1.014 22 L CA -0.107 54.641 54.840 -0.154 0.000 0.815 22 L CB 1.128 43.044 42.059 -0.238 0.000 1.247 22 L HN 0.217 nan 8.230 nan 0.000 0.421 23 K N 3.832 124.057 120.400 -0.292 0.000 2.148 23 K HA -0.023 4.297 4.320 -0.000 0.000 0.204 23 K C -0.054 176.516 176.600 -0.050 0.000 1.050 23 K CA 1.197 57.410 56.287 -0.123 0.000 0.942 23 K CB -0.165 32.303 32.500 -0.052 0.000 0.724 23 K HN 0.579 nan 8.250 nan 0.000 0.446 24 F N -0.806 119.104 119.950 -0.066 0.000 2.538 24 F HA 0.467 4.994 4.527 -0.000 0.000 0.325 24 F C -0.144 175.680 175.800 0.040 0.000 1.066 24 F CA -1.675 56.311 58.000 -0.023 0.000 0.946 24 F CB 0.754 39.721 39.000 -0.055 0.000 1.199 24 F HN -0.382 nan 8.300 nan 0.000 0.473 25 R N 2.721 123.388 120.500 0.279 0.000 2.248 25 R HA 0.233 4.572 4.340 -0.000 0.000 0.337 25 R C -1.567 174.961 176.300 0.379 0.000 1.085 25 R CA -0.404 55.830 56.100 0.224 0.000 0.934 25 R CB -0.117 30.265 30.300 0.136 0.000 1.034 25 R HN 0.699 nan 8.270 nan 0.000 0.465 26 F N 3.665 123.726 119.950 0.186 0.000 2.420 26 F HA 0.118 4.644 4.527 -0.000 0.000 0.352 26 F C 1.240 177.075 175.800 0.059 0.000 1.108 26 F CA -0.691 57.440 58.000 0.217 0.000 1.162 26 F CB 1.196 40.348 39.000 0.255 0.000 1.118 26 F HN 0.585 nan 8.300 nan 0.000 0.510 27 E N 2.093 121.991 120.200 -0.504 0.000 2.063 27 E HA -0.238 4.111 4.350 -0.000 0.000 0.221 27 E C 1.769 178.191 176.600 -0.298 0.000 1.052 27 E CA 2.706 58.887 56.400 -0.365 0.000 0.891 27 E CB -0.382 29.075 29.700 -0.404 0.000 0.792 27 E HN 0.740 nan 8.360 nan 0.000 0.482 28 T N -1.748 112.554 114.554 -0.420 0.000 2.966 28 T HA 0.081 4.431 4.350 -0.000 0.000 0.254 28 T C -0.323 174.110 174.700 -0.445 0.000 0.961 28 T CA 0.825 62.569 62.100 -0.593 0.000 0.915 28 T CB 0.000 68.286 68.868 -0.971 0.000 1.186 28 T HN 0.249 nan 8.240 nan 0.000 0.505 29 S N 1.859 117.350 115.700 -0.348 0.000 4.216 29 S HA -0.212 4.258 4.470 -0.000 0.000 0.260 29 S C 0.919 175.415 174.600 -0.173 0.000 0.746 29 S CA 0.602 58.683 58.200 -0.197 0.000 1.304 29 S CB -1.564 61.573 63.200 -0.105 0.000 1.988 29 S HN 0.583 nan 8.310 nan 0.000 0.386 30 F N 3.378 123.336 119.950 0.013 0.000 2.440 30 F HA 0.314 4.840 4.527 -0.000 0.000 0.297 30 F C 1.376 177.181 175.800 0.009 0.000 1.077 30 F CA 0.690 58.696 58.000 0.010 0.000 1.462 30 F CB -0.570 38.446 39.000 0.025 0.000 1.101 30 F HN 0.882 nan 8.300 nan 0.000 0.584 31 G N -0.554 108.152 108.800 -0.156 0.000 2.344 31 G HA2 0.226 4.186 3.960 -0.000 0.000 0.282 31 G HA3 0.226 4.186 3.960 -0.000 0.000 0.282 31 G C -0.648 174.194 174.900 -0.097 0.000 1.281 31 G CA -0.235 44.854 45.100 -0.018 0.000 0.877 31 G HN 0.131 nan 8.290 nan 0.000 0.494 32 V N -0.563 119.354 119.914 0.007 0.000 2.465 32 V HA 0.539 4.659 4.120 -0.000 0.000 0.230 32 V C 0.774 176.927 176.094 0.100 0.000 1.084 32 V CA 2.698 65.008 62.300 0.016 0.000 1.092 32 V CB -0.338 31.503 31.823 0.029 0.000 0.730 32 V HN 1.498 nan 8.190 nan 0.000 0.491 33 Q N -1.174 118.713 119.800 0.145 0.000 2.554 33 Q HA -0.146 4.194 4.340 -0.000 0.000 0.224 33 Q C -0.094 176.008 176.000 0.170 0.000 1.291 33 Q CA 0.779 56.701 55.803 0.197 0.000 0.526 33 Q CB -1.059 27.858 28.738 0.299 0.000 0.663 33 Q HN 0.614 nan 8.270 nan 0.000 0.319 34 T N 1.684 116.339 114.554 0.167 0.000 3.051 34 T HA 0.182 4.532 4.350 -0.000 0.000 0.254 34 T C -0.718 174.138 174.700 0.261 0.000 0.916 34 T CA 0.454 62.660 62.100 0.175 0.000 0.894 34 T CB 0.191 69.170 68.868 0.186 0.000 1.251 34 T HN 0.573 nan 8.240 nan 0.000 0.517 35 H N 0.670 119.784 119.070 0.073 0.000 2.812 35 H HA 0.794 5.350 4.556 -0.000 0.000 0.355 35 H C -0.751 174.645 175.328 0.114 0.000 1.207 35 H CA -0.775 55.328 56.048 0.092 0.000 1.217 35 H CB 1.457 31.255 29.762 0.060 0.000 1.874 35 H HN -0.035 nan 8.280 nan 0.000 0.581 36 K N 0.615 121.143 120.400 0.213 0.000 2.541 36 K HA 0.487 4.807 4.320 -0.000 0.000 0.250 36 K C -1.858 174.768 176.600 0.043 0.000 0.950 36 K CA -0.519 55.853 56.287 0.141 0.000 0.805 36 K CB 1.205 33.833 32.500 0.214 0.000 1.166 36 K HN 0.317 nan 8.250 nan 0.000 0.430 37 V N 4.457 124.393 119.914 0.038 0.000 2.498 37 V HA 0.341 4.461 4.120 -0.000 0.000 0.279 37 V C -0.490 175.583 176.094 -0.034 0.000 1.048 37 V CA -0.684 61.612 62.300 -0.005 0.000 0.967 37 V CB 1.409 33.235 31.823 0.005 0.000 0.988 37 V HN 0.564 nan 8.190 nan 0.000 0.473 38 V N 7.350 127.221 119.914 -0.072 0.000 2.305 38 V HA 0.331 4.450 4.120 -0.000 0.000 0.275 38 V C -2.552 173.503 176.094 -0.066 0.000 1.020 38 V CA -1.750 60.498 62.300 -0.087 0.000 0.811 38 V CB 1.463 33.194 31.823 -0.154 0.000 1.031 38 V HN 0.769 nan 8.190 nan 0.000 0.439 39 P HA 0.422 nan 4.420 nan 0.000 0.287 39 P C -0.686 176.595 177.300 -0.032 0.000 1.307 39 P CA -0.117 62.963 63.100 -0.034 0.000 0.777 39 P CB 0.775 32.460 31.700 -0.024 0.000 0.883 40 L N 3.905 125.111 121.223 -0.028 0.000 2.317 40 L HA 0.555 4.895 4.340 -0.000 0.000 0.281 40 L C -0.049 176.819 176.870 -0.004 0.000 1.024 40 L CA -1.052 53.777 54.840 -0.019 0.000 0.810 40 L CB 1.492 43.538 42.059 -0.022 0.000 1.240 40 L HN 0.225 nan 8.230 nan 0.000 0.427 41 L N 4.384 125.607 121.223 -0.001 0.000 2.333 41 L HA 0.581 4.920 4.340 -0.000 0.000 0.280 41 L C -0.777 176.089 176.870 -0.006 0.000 1.004 41 L CA 0.055 54.900 54.840 0.008 0.000 0.820 41 L CB 1.399 43.464 42.059 0.011 0.000 1.247 41 L HN 0.382 nan 8.230 nan 0.000 0.416 42 I N 6.152 126.709 120.570 -0.022 0.000 2.362 42 I HA 0.367 4.537 4.170 -0.000 0.000 0.289 42 I C -0.694 175.331 176.117 -0.153 0.000 0.994 42 I CA -0.456 60.782 61.300 -0.103 0.000 1.158 42 I CB 1.358 39.286 38.000 -0.121 0.000 1.315 42 I HN 0.452 nan 8.210 nan 0.000 0.451 43 L N 5.928 127.050 121.223 -0.170 0.000 2.322 43 L HA 0.530 4.869 4.340 -0.000 0.000 0.279 43 L C -0.374 176.344 176.870 -0.255 0.000 1.036 43 L CA -0.750 54.017 54.840 -0.122 0.000 0.807 43 L CB 1.097 43.140 42.059 -0.027 0.000 1.226 43 L HN 0.507 nan 8.230 nan 0.000 0.433 44 H N 1.506 120.605 119.070 0.048 0.000 2.495 44 H HA 0.760 5.316 4.556 -0.000 0.000 0.348 44 H C -0.166 175.189 175.328 0.044 0.000 1.113 44 H CA -0.540 55.530 56.048 0.036 0.000 1.195 44 H CB 2.337 32.118 29.762 0.033 0.000 1.521 44 H HN 0.780 nan 8.280 nan 0.000 0.509 45 G N 1.136 110.023 108.800 0.144 0.000 2.404 45 G HA2 0.142 4.102 3.960 -0.000 0.000 0.298 45 G HA3 0.142 4.102 3.960 -0.000 0.000 0.298 45 G C -0.903 174.018 174.900 0.034 0.000 1.577 45 G CA -0.900 44.263 45.100 0.104 0.000 0.847 45 G HN 0.467 nan 8.290 nan 0.000 0.598 46 E N -0.657 119.572 120.200 0.048 0.000 2.403 46 E HA -0.275 4.075 4.350 -0.000 0.000 0.241 46 E C 1.500 178.081 176.600 -0.031 0.000 1.201 46 E CA 1.954 58.357 56.400 0.006 0.000 0.721 46 E CB -1.616 28.010 29.700 -0.123 0.000 1.245 46 E HN 2.633 nan 8.360 nan 0.000 0.392 47 G N -1.785 107.020 108.800 0.009 0.000 2.175 47 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.265 47 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.265 47 G C 0.520 175.420 174.900 0.000 0.000 0.979 47 G CA 1.214 46.318 45.100 0.008 0.000 0.663 47 G HN 1.017 nan 8.290 nan 0.000 0.533 48 V N -3.327 116.578 119.914 -0.015 0.000 3.164 48 V HA 0.971 5.091 4.120 -0.000 0.000 0.313 48 V C -0.333 175.765 176.094 0.007 0.000 1.188 48 V CA -0.341 61.946 62.300 -0.021 0.000 1.058 48 V CB 1.827 33.598 31.823 -0.087 0.000 1.110 48 V HN 0.999 nan 8.190 nan 0.000 0.453 49 Q N 0.419 120.203 119.800 -0.026 0.000 2.389 49 Q HA 0.794 5.133 4.340 -0.000 0.000 0.277 49 Q C -0.542 175.413 176.000 -0.074 0.000 1.082 49 Q CA -0.632 55.115 55.803 -0.094 0.000 0.810 49 Q CB 2.318 30.955 28.738 -0.169 0.000 1.374 49 Q HN 1.239 nan 8.270 nan 0.000 0.422 50 G N 0.824 109.579 108.800 -0.075 0.000 2.416 50 G HA2 0.583 4.543 3.960 -0.000 0.000 0.329 50 G HA3 0.583 4.543 3.960 -0.000 0.000 0.329 50 G C -1.049 173.848 174.900 -0.006 0.000 1.173 50 G CA -0.675 44.422 45.100 -0.006 0.000 0.929 50 G HN 0.419 nan 8.290 nan 0.000 0.475 51 V N 0.660 120.612 119.914 0.063 0.000 2.588 51 V HA 0.842 4.962 4.120 -0.000 0.000 0.304 51 V C 0.235 176.448 176.094 0.198 0.000 1.042 51 V CA -0.664 61.683 62.300 0.078 0.000 0.877 51 V CB 1.117 32.971 31.823 0.053 0.000 0.996 51 V HN 1.197 nan 8.190 nan 0.000 0.425 52 A N 3.304 126.176 122.820 0.086 0.000 2.485 52 A HA 0.931 5.251 4.320 -0.000 0.000 0.292 52 A C -0.849 176.712 177.584 -0.038 0.000 1.147 52 A CA -0.662 51.365 52.037 -0.018 0.000 0.750 52 A CB 1.992 20.909 19.000 -0.138 0.000 1.331 52 A HN 0.892 nan 8.150 nan 0.000 0.419 53 E N 0.752 120.901 120.200 -0.085 0.000 2.234 53 E HA 0.539 4.889 4.350 -0.000 0.000 0.266 53 E C 0.042 176.601 176.600 -0.068 0.000 0.877 53 E CA -0.689 55.679 56.400 -0.055 0.000 0.758 53 E CB 1.636 31.317 29.700 -0.033 0.000 1.170 53 E HN 0.942 nan 8.360 nan 0.000 0.415 54 G N 1.552 110.325 108.800 -0.046 0.000 2.442 54 G HA2 0.200 4.160 3.960 -0.000 0.000 0.249 54 G HA3 0.200 4.160 3.960 -0.000 0.000 0.249 54 G C 0.650 175.531 174.900 -0.031 0.000 1.263 54 G CA 0.099 45.178 45.100 -0.036 0.000 0.846 54 G HN 0.623 nan 8.290 nan 0.000 0.555 55 T N 0.184 114.723 114.554 -0.025 0.000 3.054 55 T HA 0.184 4.534 4.350 -0.000 0.000 0.255 55 T C 1.166 175.867 174.700 0.001 0.000 1.035 55 T CA -0.392 61.697 62.100 -0.019 0.000 0.941 55 T CB -0.060 68.790 68.868 -0.029 0.000 1.026 55 T HN 0.532 nan 8.240 nan 0.000 0.533 56 M N 1.515 121.116 119.600 0.003 0.000 2.243 56 M HA 0.499 4.979 4.480 -0.000 0.000 0.341 56 M C -0.558 175.743 176.300 0.002 0.000 1.130 56 M CA 0.010 55.313 55.300 0.006 0.000 1.162 56 M CB 0.077 32.673 32.600 -0.006 0.000 1.497 56 M HN 0.055 nan 8.290 nan 0.000 0.456 57 E N 1.602 121.802 120.200 0.000 0.000 2.254 57 E HA 0.598 4.948 4.350 -0.000 0.000 0.261 57 E C 0.966 177.563 176.600 -0.006 0.000 1.051 57 E CA -0.334 56.070 56.400 0.007 0.000 0.902 57 E CB 0.966 30.672 29.700 0.009 0.000 1.168 57 E HN 0.778 nan 8.360 nan 0.000 0.423 58 A N 1.438 124.260 122.820 0.004 0.000 1.933 58 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 58 A C 0.764 178.339 177.584 -0.015 0.000 1.175 58 A CA 1.294 53.328 52.037 -0.005 0.000 0.628 58 A CB -0.093 18.909 19.000 0.003 0.000 0.814 58 A HN 0.416 nan 8.150 nan 0.000 0.444 59 R N -0.615 119.876 120.500 -0.015 0.000 2.740 59 R HA 0.394 4.734 4.340 -0.000 0.000 0.282 59 R C -2.926 173.337 176.300 -0.061 0.000 0.969 59 R CA -2.252 53.830 56.100 -0.030 0.000 0.918 59 R CB 1.405 31.697 30.300 -0.014 0.000 1.175 59 R HN 0.036 nan 8.270 nan 0.000 0.464 60 P HA 0.097 nan 4.420 nan 0.000 0.260 60 P C -0.438 176.721 177.300 -0.235 0.000 1.651 60 P CA 0.293 63.294 63.100 -0.166 0.000 1.139 60 P CB 0.467 32.064 31.700 -0.171 0.000 1.756 61 M N 1.271 120.709 119.600 -0.269 0.000 2.858 61 M HA 0.054 4.534 4.480 -0.000 0.000 0.255 61 M C 1.871 177.692 176.300 -0.798 0.000 1.336 61 M CA 0.737 55.819 55.300 -0.364 0.000 1.220 61 M CB -0.127 32.377 32.600 -0.160 0.000 1.252 61 M HN 0.108 nan 8.290 nan 0.000 0.538 62 Y N 0.655 120.360 120.300 -0.992 0.000 2.314 62 Y HA 0.180 4.730 4.550 -0.000 0.000 0.294 62 Y C 1.261 176.814 175.900 -0.580 0.000 1.119 62 Y CA 0.989 58.500 58.100 -0.983 0.000 1.179 62 Y CB 0.578 38.663 38.460 -0.625 0.000 1.025 62 Y HN -0.042 nan 8.280 nan 0.000 0.541 63 R N -0.738 119.352 120.500 -0.684 0.000 3.006 63 R HA 0.073 4.412 4.340 -0.000 0.000 0.261 63 R C 0.898 176.879 176.300 -0.530 0.000 1.113 63 R CA 0.140 55.770 56.100 -0.784 0.000 0.973 63 R CB 0.624 30.537 30.300 -0.645 0.000 1.341 63 R HN 0.144 nan 8.270 nan 0.000 0.437 64 E N 0.952 120.892 120.200 -0.434 0.000 2.299 64 E HA 0.005 4.355 4.350 -0.000 0.000 0.193 64 E C -0.601 175.915 176.600 -0.141 0.000 0.998 64 E CA 0.926 57.161 56.400 -0.275 0.000 0.851 64 E CB 0.289 29.907 29.700 -0.136 0.000 0.795 64 E HN 0.438 nan 8.360 nan 0.000 0.492 65 E N 1.299 121.437 120.200 -0.104 0.000 2.349 65 E HA 0.240 4.589 4.350 -0.000 0.000 0.265 65 E C -0.217 176.347 176.600 -0.060 0.000 1.064 65 E CA 0.043 56.408 56.400 -0.057 0.000 0.886 65 E CB 1.161 30.846 29.700 -0.025 0.000 1.036 65 E HN 0.269 nan 8.360 nan 0.000 0.413 66 T N -1.588 112.937 114.554 -0.048 0.000 2.916 66 T HA 0.390 4.740 4.350 -0.000 0.000 0.292 66 T C 1.053 175.732 174.700 -0.035 0.000 1.055 66 T CA -0.784 61.291 62.100 -0.042 0.000 1.009 66 T CB 0.784 69.626 68.868 -0.043 0.000 1.118 66 T HN 0.395 nan 8.240 nan 0.000 0.497 67 I N 1.040 121.592 120.570 -0.029 0.000 2.286 67 I HA -0.118 4.052 4.170 -0.000 0.000 0.248 67 I C 2.932 179.028 176.117 -0.035 0.000 1.115 67 I CA 1.614 62.898 61.300 -0.027 0.000 1.392 67 I CB -0.624 37.364 38.000 -0.020 0.000 1.065 67 I HN 0.904 nan 8.210 nan 0.000 0.418 68 A N 0.852 123.651 122.820 -0.035 0.000 1.877 68 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 68 A C 2.441 179.993 177.584 -0.053 0.000 1.186 68 A CA 1.860 53.874 52.037 -0.039 0.000 0.620 68 A CB -1.386 17.593 19.000 -0.034 0.000 0.822 68 A HN 0.443 nan 8.150 nan 0.000 0.443 69 G N -0.650 108.117 108.800 -0.056 0.000 2.418 69 G HA2 0.028 3.988 3.960 -0.000 0.000 0.217 69 G HA3 0.028 3.988 3.960 -0.000 0.000 0.217 69 G C 1.714 176.555 174.900 -0.099 0.000 1.158 69 G CA 1.462 46.518 45.100 -0.073 0.000 0.771 69 G HN 0.781 nan 8.290 nan 0.000 0.545 70 A N 0.484 123.255 122.820 -0.080 0.000 1.897 70 A HA 0.202 4.522 4.320 -0.000 0.000 0.215 70 A C 2.420 179.940 177.584 -0.107 0.000 1.181 70 A CA 1.018 53.002 52.037 -0.089 0.000 0.620 70 A CB -0.356 18.619 19.000 -0.042 0.000 0.821 70 A HN 0.324 nan 8.150 nan 0.000 0.443 71 L N -0.490 120.687 121.223 -0.077 0.000 2.093 71 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 71 L C 2.381 179.187 176.870 -0.106 0.000 1.085 71 L CA 1.899 56.697 54.840 -0.070 0.000 0.755 71 L CB -0.697 41.340 42.059 -0.037 0.000 0.904 71 L HN 0.538 nan 8.230 nan 0.000 0.435 72 D N 0.370 120.704 120.400 -0.111 0.000 2.144 72 D HA -0.239 4.401 4.640 -0.000 0.000 0.199 72 D C 2.131 178.304 176.300 -0.213 0.000 0.984 72 D CA 0.877 54.798 54.000 -0.130 0.000 0.834 72 D CB 0.098 40.834 40.800 -0.106 0.000 0.955 72 D HN 0.101 nan 8.370 nan 0.000 0.465 73 L N 0.080 121.132 121.223 -0.285 0.000 2.093 73 L HA -0.008 4.331 4.340 -0.000 0.000 0.208 73 L C 2.089 178.600 176.870 -0.599 0.000 1.085 73 L CA 1.338 55.874 54.840 -0.506 0.000 0.755 73 L CB -0.446 41.259 42.059 -0.591 0.000 0.904 73 L HN 0.227 nan 8.230 nan 0.000 0.435 74 L N -0.460 120.540 121.223 -0.372 0.000 1.994 74 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 74 L C 2.876 179.604 176.870 -0.236 0.000 1.071 74 L CA 1.909 56.615 54.840 -0.223 0.000 0.745 74 L CB -0.473 41.531 42.059 -0.092 0.000 0.892 74 L HN 0.398 nan 8.230 nan 0.000 0.431 75 R N -0.413 119.937 120.500 -0.250 0.000 2.090 75 R HA -0.028 4.312 4.340 -0.000 0.000 0.228 75 R C 2.000 178.153 176.300 -0.245 0.000 1.110 75 R CA 1.318 57.218 56.100 -0.333 0.000 0.973 75 R CB -0.818 29.345 30.300 -0.227 0.000 0.869 75 R HN 0.237 nan 8.270 nan 0.000 0.440 76 G N -0.740 107.935 108.800 -0.208 0.000 2.777 76 G HA2 0.014 3.973 3.960 -0.000 0.000 0.211 76 G HA3 0.014 3.973 3.960 -0.000 0.000 0.211 76 G C 0.653 175.447 174.900 -0.176 0.000 1.149 76 G CA 0.768 45.770 45.100 -0.164 0.000 0.785 76 G HN 0.385 nan 8.290 nan 0.000 0.536 77 T N -0.617 113.790 114.554 -0.244 0.000 3.467 77 T HA 0.173 4.523 4.350 -0.000 0.000 0.258 77 T C 1.631 176.326 174.700 -0.010 0.000 0.999 77 T CA -0.255 61.714 62.100 -0.218 0.000 1.148 77 T CB -0.080 68.485 68.868 -0.504 0.000 1.186 77 T HN -0.034 nan 8.240 nan 0.000 0.401 78 F N 2.289 122.150 119.950 -0.148 0.000 2.084 78 F HA 0.210 4.737 4.527 -0.000 0.000 0.296 78 F C 2.258 178.017 175.800 -0.069 0.000 1.111 78 F CA 0.362 58.304 58.000 -0.096 0.000 1.224 78 F CB -1.348 37.592 39.000 -0.099 0.000 0.991 78 F HN 0.067 nan 8.300 nan 0.000 0.471 79 L N -0.236 121.042 121.223 0.091 0.000 2.012 79 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 79 L C -0.296 176.595 176.870 0.036 0.000 1.073 79 L CA 1.605 56.457 54.840 0.020 0.000 0.748 79 L CB -2.144 39.849 42.059 -0.109 0.000 0.891 79 L HN 0.073 nan 8.230 nan 0.000 0.431 80 P HA -0.136 nan 4.420 nan 0.000 0.222 80 P C 1.137 178.482 177.300 0.075 0.000 1.147 80 P CA 1.464 64.585 63.100 0.036 0.000 0.790 80 P CB 0.023 31.730 31.700 0.010 0.000 0.780 81 A N -0.836 122.046 122.820 0.103 0.000 2.169 81 A HA 0.014 4.334 4.320 -0.000 0.000 0.212 81 A C 1.870 179.562 177.584 0.179 0.000 1.153 81 A CA 0.756 52.874 52.037 0.134 0.000 0.756 81 A CB -1.093 18.004 19.000 0.163 0.000 0.813 81 A HN 0.346 nan 8.150 nan 0.000 0.471 82 I N -4.361 116.317 120.570 0.179 0.000 4.032 82 I HA 0.340 4.510 4.170 -0.000 0.000 0.313 82 I C 0.147 176.421 176.117 0.263 0.000 1.272 82 I CA -0.298 61.182 61.300 0.299 0.000 1.307 82 I CB -0.031 38.061 38.000 0.154 0.000 1.155 82 I HN -0.093 nan 8.210 nan 0.000 0.431 83 L N 3.505 124.822 121.223 0.158 0.000 2.455 83 L HA 0.316 4.656 4.340 -0.000 0.000 0.272 83 L C 1.410 178.337 176.870 0.095 0.000 1.174 83 L CA 1.060 55.977 54.840 0.128 0.000 0.869 83 L CB 0.510 42.632 42.059 0.106 0.000 1.130 83 L HN 0.604 nan 8.230 nan 0.000 0.474 84 G N 1.470 110.319 108.800 0.083 0.000 2.179 84 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.260 84 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.260 84 G C 0.310 175.203 174.900 -0.011 0.000 0.977 84 G CA -0.298 44.825 45.100 0.039 0.000 0.641 84 G HN 0.518 nan 8.290 nan 0.000 0.533 85 Q N 0.408 120.190 119.800 -0.029 0.000 2.221 85 Q HA 0.636 4.976 4.340 -0.000 0.000 0.242 85 Q C -0.169 175.580 176.000 -0.418 0.000 0.940 85 Q CA 0.079 55.726 55.803 -0.259 0.000 0.896 85 Q CB 1.417 29.943 28.738 -0.353 0.000 1.226 85 Q HN 0.222 nan 8.270 nan 0.000 0.463 86 T N 1.858 116.048 114.554 -0.606 0.000 2.797 86 T HA 0.675 5.025 4.350 -0.000 0.000 0.279 86 T C -0.760 173.514 174.700 -0.709 0.000 0.991 86 T CA -0.289 61.547 62.100 -0.441 0.000 0.979 86 T CB 0.295 69.034 68.868 -0.214 0.000 0.943 86 T HN 0.247 nan 8.240 nan 0.000 0.444 87 F N 0.290 120.213 119.950 -0.045 0.000 2.563 87 F HA 0.606 5.132 4.527 -0.000 0.000 0.316 87 F C 1.030 176.724 175.800 -0.178 0.000 1.076 87 F CA -1.234 56.699 58.000 -0.112 0.000 0.921 87 F CB 1.635 40.558 39.000 -0.129 0.000 1.209 87 F HN 0.639 nan 8.300 nan 0.000 0.462 88 A N 1.904 124.690 122.820 -0.057 0.000 1.975 88 A HA 0.161 4.480 4.320 -0.000 0.000 0.215 88 A C 0.259 177.512 177.584 -0.553 0.000 1.170 88 A CA 0.986 52.889 52.037 -0.224 0.000 0.656 88 A CB -0.511 18.387 19.000 -0.170 0.000 0.821 88 A HN 0.860 nan 8.150 nan 0.000 0.449 89 N N -3.351 114.984 118.700 -0.608 0.000 3.116 89 N HA 0.228 4.968 4.740 -0.000 0.000 0.244 89 N C -3.004 171.990 175.510 -0.860 0.000 1.485 89 N CA -1.444 50.929 53.050 -1.128 0.000 0.884 89 N CB 0.764 38.691 38.487 -0.933 0.000 1.415 89 N HN -0.311 nan 8.380 nan 0.000 0.524 90 P HA -0.082 nan 4.420 nan 0.000 0.218 90 P C 0.599 177.542 177.300 -0.596 0.000 1.148 90 P CA 1.361 63.890 63.100 -0.952 0.000 0.822 90 P CB 0.166 30.799 31.700 -1.779 0.000 0.784 91 E N -0.292 119.628 120.200 -0.467 0.000 2.110 91 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 91 E C 2.128 178.601 176.600 -0.211 0.000 0.988 91 E CA 1.480 57.745 56.400 -0.226 0.000 0.804 91 E CB -0.959 28.666 29.700 -0.126 0.000 0.745 91 E HN 0.160 nan 8.360 nan 0.000 0.458 92 A N 0.394 123.075 122.820 -0.232 0.000 1.930 92 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 92 A C 2.412 179.879 177.584 -0.195 0.000 1.175 92 A CA 1.116 53.091 52.037 -0.104 0.000 0.627 92 A CB -0.571 18.443 19.000 0.022 0.000 0.815 92 A HN 0.138 nan 8.150 nan 0.000 0.443 93 V N -0.012 119.568 119.914 -0.556 0.000 2.255 93 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 93 V C 2.768 178.585 176.094 -0.462 0.000 1.051 93 V CA 2.424 64.189 62.300 -0.893 0.000 1.018 93 V CB -1.105 30.187 31.823 -0.886 0.000 0.641 93 V HN 0.550 nan 8.190 nan 0.000 0.445 94 S N -0.153 115.344 115.700 -0.338 0.000 2.374 94 S HA -0.315 4.155 4.470 -0.000 0.000 0.227 94 S C 1.830 176.325 174.600 -0.175 0.000 1.037 94 S CA 2.065 60.122 58.200 -0.240 0.000 1.024 94 S CB -0.545 62.561 63.200 -0.155 0.000 0.861 94 S HN 0.822 nan 8.310 nan 0.000 0.456 95 D N 1.134 121.457 120.400 -0.128 0.000 2.178 95 D HA -0.028 4.612 4.640 -0.000 0.000 0.201 95 D C 1.770 178.053 176.300 -0.029 0.000 0.980 95 D CA 1.073 55.035 54.000 -0.062 0.000 0.842 95 D CB -0.214 40.564 40.800 -0.037 0.000 0.948 95 D HN 0.372 nan 8.370 nan 0.000 0.472 96 A N -0.218 122.592 122.820 -0.017 0.000 2.167 96 A HA 0.069 4.389 4.320 -0.000 0.000 0.214 96 A C 2.100 179.706 177.584 0.037 0.000 1.151 96 A CA 0.271 52.343 52.037 0.059 0.000 0.735 96 A CB -0.523 18.601 19.000 0.206 0.000 0.802 96 A HN 0.364 nan 8.150 nan 0.000 0.467 97 L N -1.185 120.000 121.223 -0.062 0.000 2.275 97 L HA 0.149 4.489 4.340 -0.000 0.000 0.215 97 L C 1.476 178.457 176.870 0.184 0.000 1.119 97 L CA 0.609 55.411 54.840 -0.062 0.000 0.790 97 L CB -0.949 40.807 42.059 -0.505 0.000 0.919 97 L HN 0.618 nan 8.230 nan 0.000 0.443 98 G N -0.211 108.651 108.800 0.104 0.000 2.610 98 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.304 98 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.304 98 G C 0.181 175.092 174.900 0.018 0.000 1.309 98 G CA -0.158 44.989 45.100 0.078 0.000 0.906 98 G HN 0.217 nan 8.290 nan 0.000 0.521 99 S N -0.793 114.808 115.700 -0.165 0.000 2.573 99 S HA 0.483 4.953 4.470 -0.000 0.000 0.244 99 S C 0.477 174.996 174.600 -0.134 0.000 0.984 99 S CA -0.189 57.939 58.200 -0.121 0.000 1.001 99 S CB -0.240 62.885 63.200 -0.125 0.000 0.788 99 S HN 0.768 nan 8.310 nan 0.000 0.456 100 Y N 2.394 122.744 120.300 0.083 0.000 2.683 100 Y HA 0.187 4.737 4.550 0.000 0.000 0.340 100 Y C 1.339 177.289 175.900 0.084 0.000 1.245 100 Y CA -0.213 57.944 58.100 0.096 0.000 1.485 100 Y CB 0.436 38.994 38.460 0.163 0.000 1.328 100 Y HN 0.148 nan 8.280 nan 0.000 0.603 101 R N 1.380 122.008 120.500 0.214 0.000 2.428 101 R HA 0.469 4.809 4.340 -0.000 0.000 0.294 101 R C 0.719 177.097 176.300 0.129 0.000 1.000 101 R CA 0.090 56.268 56.100 0.130 0.000 0.960 101 R CB 1.204 31.555 30.300 0.085 0.000 1.076 101 R HN 0.977 nan 8.270 nan 0.000 0.475 102 G N 2.325 111.187 108.800 0.103 0.000 2.564 102 G HA2 -0.419 3.540 3.960 -0.000 0.000 0.273 102 G HA3 -0.419 3.540 3.960 -0.000 0.000 0.273 102 G C -0.349 174.619 174.900 0.113 0.000 1.242 102 G CA 0.256 45.412 45.100 0.093 0.000 0.951 102 G HN 0.874 nan 8.290 nan 0.000 0.564 103 N N -0.716 118.039 118.700 0.091 0.000 2.725 103 N HA -0.184 4.556 4.740 -0.000 0.000 0.251 103 N C 1.418 177.002 175.510 0.122 0.000 1.031 103 N CA 1.160 54.268 53.050 0.096 0.000 0.720 103 N CB -0.217 38.330 38.487 0.099 0.000 0.930 103 N HN 0.639 nan 8.380 nan 0.000 0.543 104 R N 0.088 120.638 120.500 0.085 0.000 2.075 104 R HA -0.016 4.324 4.340 -0.000 0.000 0.232 104 R C 1.818 178.150 176.300 0.053 0.000 1.126 104 R CA 1.570 57.709 56.100 0.065 0.000 0.963 104 R CB -0.242 30.088 30.300 0.049 0.000 0.858 104 R HN 0.530 nan 8.270 nan 0.000 0.435 105 M N 0.107 119.736 119.600 0.048 0.000 2.159 105 M HA -0.104 4.376 4.480 -0.000 0.000 0.263 105 M C 2.520 178.846 176.300 0.044 0.000 1.063 105 M CA 1.737 57.055 55.300 0.031 0.000 1.110 105 M CB -0.422 32.194 32.600 0.027 0.000 1.374 105 M HN 0.158 nan 8.290 nan 0.000 0.411 106 A N 0.656 123.526 122.820 0.082 0.000 1.865 106 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 106 A C 2.167 179.894 177.584 0.238 0.000 1.191 106 A CA 1.691 53.812 52.037 0.139 0.000 0.623 106 A CB -0.705 18.371 19.000 0.126 0.000 0.826 106 A HN 0.412 nan 8.150 nan 0.000 0.444 107 R N -0.703 119.944 120.500 0.246 0.000 2.103 107 R HA -0.163 4.176 4.340 -0.000 0.000 0.242 107 R C 2.424 178.698 176.300 -0.044 0.000 1.142 107 R CA 1.305 57.407 56.100 0.003 0.000 0.960 107 R CB -0.491 29.772 30.300 -0.061 0.000 0.858 107 R HN 0.542 nan 8.270 nan 0.000 0.439 108 A N 0.752 123.566 122.820 -0.010 0.000 1.972 108 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 108 A C 2.125 179.677 177.584 -0.053 0.000 1.169 108 A CA 1.236 53.247 52.037 -0.044 0.000 0.635 108 A CB -0.371 18.594 19.000 -0.059 0.000 0.810 108 A HN 0.214 nan 8.150 nan 0.000 0.446 109 M N -0.835 118.751 119.600 -0.023 0.000 2.108 109 M HA -0.150 4.330 4.480 -0.000 0.000 0.261 109 M C 2.063 178.352 176.300 -0.017 0.000 1.066 109 M CA 1.510 56.794 55.300 -0.027 0.000 1.107 109 M CB -0.403 32.200 32.600 0.006 0.000 1.356 109 M HN 0.279 nan 8.290 nan 0.000 0.406 110 V N -0.272 119.634 119.914 -0.014 0.000 2.323 110 V HA -0.195 3.925 4.120 -0.000 0.000 0.244 110 V C 2.380 178.437 176.094 -0.062 0.000 1.041 110 V CA 1.680 63.954 62.300 -0.044 0.000 1.025 110 V CB -0.725 31.041 31.823 -0.095 0.000 0.656 110 V HN 0.460 nan 8.190 nan 0.000 0.451 111 E N 0.053 120.215 120.200 -0.063 0.000 2.077 111 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 111 E C 2.191 178.899 176.600 0.180 0.000 0.989 111 E CA 1.715 58.112 56.400 -0.005 0.000 0.800 111 E CB -0.109 29.605 29.700 0.024 0.000 0.746 111 E HN 0.555 nan 8.360 nan 0.000 0.452 112 M N -0.175 119.512 119.600 0.145 0.000 2.200 112 M HA -0.075 4.405 4.480 -0.000 0.000 0.265 112 M C 2.428 178.914 176.300 0.310 0.000 1.066 112 M CA 1.306 56.756 55.300 0.249 0.000 1.127 112 M CB -0.167 32.337 32.600 -0.160 0.000 1.379 112 M HN 0.086 nan 8.290 nan 0.000 0.420 113 A N 0.594 123.497 122.820 0.138 0.000 1.940 113 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 113 A C 2.366 180.030 177.584 0.133 0.000 1.176 113 A CA 1.981 54.099 52.037 0.134 0.000 0.631 113 A CB -0.929 18.099 19.000 0.046 0.000 0.814 113 A HN 0.494 nan 8.150 nan 0.000 0.446 114 A N -1.643 121.220 122.820 0.072 0.000 1.933 114 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 114 A C 1.978 179.604 177.584 0.069 0.000 1.175 114 A CA 1.264 53.293 52.037 -0.014 0.000 0.628 114 A CB -0.852 18.026 19.000 -0.203 0.000 0.814 114 A HN 0.749 nan 8.150 nan 0.000 0.444 115 W N -0.056 121.335 121.300 0.151 0.000 2.358 115 W HA -0.150 4.510 4.660 -0.000 0.000 0.303 115 W C 2.062 178.681 176.519 0.167 0.000 1.208 115 W CA 1.254 58.729 57.345 0.216 0.000 1.274 115 W CB -0.113 29.488 29.460 0.235 0.000 1.138 115 W HN 0.430 nan 8.180 nan 0.000 0.515 116 D N 0.018 120.642 120.400 0.373 0.000 2.097 116 D HA -0.196 4.444 4.640 -0.000 0.000 0.195 116 D C 2.037 178.395 176.300 0.097 0.000 0.989 116 D CA 1.327 55.422 54.000 0.158 0.000 0.827 116 D CB -0.480 40.405 40.800 0.143 0.000 0.966 116 D HN -0.011 nan 8.370 nan 0.000 0.456 117 L N 0.597 121.885 121.223 0.108 0.000 2.017 117 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 117 L C 2.173 179.086 176.870 0.072 0.000 1.073 117 L CA 1.825 56.695 54.840 0.049 0.000 0.745 117 L CB -1.020 41.068 42.059 0.048 0.000 0.894 117 L HN 0.401 nan 8.230 nan 0.000 0.432 118 W N 0.342 121.617 121.300 -0.042 0.000 2.355 118 W HA -0.244 4.416 4.660 -0.000 0.000 0.309 118 W C 2.112 178.638 176.519 0.011 0.000 1.206 118 W CA 1.595 58.931 57.345 -0.014 0.000 1.284 118 W CB -0.269 29.157 29.460 -0.058 0.000 1.145 118 W HN 0.331 nan 8.180 nan 0.000 0.502 119 A N 1.362 124.153 122.820 -0.048 0.000 1.940 119 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 119 A C 2.004 179.459 177.584 -0.216 0.000 1.176 119 A CA 1.948 53.862 52.037 -0.206 0.000 0.631 119 A CB -0.882 18.096 19.000 -0.036 0.000 0.814 119 A HN 0.445 nan 8.150 nan 0.000 0.446 120 R N -0.799 119.610 120.500 -0.151 0.000 2.148 120 R HA -0.059 4.281 4.340 -0.000 0.000 0.223 120 R C 2.388 178.560 176.300 -0.213 0.000 1.088 120 R CA 1.555 57.563 56.100 -0.153 0.000 0.985 120 R CB -0.432 29.802 30.300 -0.110 0.000 0.880 120 R HN 0.770 nan 8.270 nan 0.000 0.451 121 T N -1.188 113.173 114.554 -0.322 0.000 2.951 121 T HA -0.018 4.332 4.350 -0.000 0.000 0.268 121 T C 1.782 176.320 174.700 -0.271 0.000 1.073 121 T CA 0.807 62.630 62.100 -0.462 0.000 1.134 121 T CB -0.069 68.106 68.868 -1.155 0.000 0.884 121 T HN 0.128 nan 8.240 nan 0.000 0.479 122 L N 0.411 121.455 121.223 -0.298 0.000 2.375 122 L HA 0.341 4.681 4.340 -0.000 0.000 0.215 122 L C 2.080 178.855 176.870 -0.159 0.000 1.108 122 L CA 0.543 55.240 54.840 -0.238 0.000 0.830 122 L CB -0.669 41.142 42.059 -0.412 0.000 0.959 122 L HN 0.592 nan 8.230 nan 0.000 0.457 123 G N 0.885 109.590 108.800 -0.158 0.000 2.160 123 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.244 123 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.244 123 G C -0.114 174.729 174.900 -0.094 0.000 1.022 123 G CA 0.106 45.142 45.100 -0.107 0.000 0.741 123 G HN 0.123 nan 8.290 nan 0.000 0.508 124 V N 0.274 120.116 119.914 -0.120 0.000 2.715 124 V HA 0.597 4.717 4.120 -0.000 0.000 0.310 124 V C -1.880 174.165 176.094 -0.082 0.000 1.054 124 V CA -2.048 60.199 62.300 -0.088 0.000 0.928 124 V CB 2.192 33.957 31.823 -0.096 0.000 1.007 124 V HN 0.079 nan 8.190 nan 0.000 0.437 125 P HA 0.041 nan 4.420 nan 0.000 0.267 125 P C 0.575 177.822 177.300 -0.088 0.000 1.200 125 P CA -0.112 62.970 63.100 -0.030 0.000 0.772 125 P CB 0.600 32.351 31.700 0.086 0.000 0.855 126 L N 4.343 125.394 121.223 -0.286 0.000 2.017 126 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 126 L C 2.269 179.025 176.870 -0.191 0.000 1.073 126 L CA 2.640 57.293 54.840 -0.312 0.000 0.745 126 L CB -1.788 39.906 42.059 -0.608 0.000 0.894 126 L HN 0.524 nan 8.230 nan 0.000 0.432 127 G N -1.924 106.895 108.800 0.031 0.000 2.469 127 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 127 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 127 G C 1.448 176.340 174.900 -0.013 0.000 1.136 127 G CA 1.306 46.423 45.100 0.029 0.000 0.759 127 G HN 0.459 nan 8.290 nan 0.000 0.562 128 T N 1.088 115.657 114.554 0.025 0.000 2.788 128 T HA 0.003 4.353 4.350 -0.000 0.000 0.268 128 T C 2.357 177.075 174.700 0.029 0.000 1.044 128 T CA 0.717 62.835 62.100 0.030 0.000 1.139 128 T CB -0.147 68.740 68.868 0.031 0.000 0.867 128 T HN 0.161 nan 8.240 nan 0.000 0.454 129 L N 0.386 121.623 121.223 0.023 0.000 2.217 129 L HA 0.083 4.423 4.340 -0.000 0.000 0.211 129 L C 2.069 178.976 176.870 0.062 0.000 1.107 129 L CA 0.818 55.720 54.840 0.103 0.000 0.783 129 L CB -0.372 41.825 42.059 0.230 0.000 0.919 129 L HN 0.279 nan 8.230 nan 0.000 0.442 130 L N -0.847 120.316 121.223 -0.099 0.000 2.492 130 L HA 0.106 4.445 4.340 -0.000 0.000 0.223 130 L C 1.491 178.324 176.870 -0.062 0.000 1.132 130 L CA 0.735 55.472 54.840 -0.171 0.000 0.850 130 L CB -0.278 41.581 42.059 -0.332 0.000 0.966 130 L HN 0.467 nan 8.230 nan 0.000 0.454 131 G N -0.485 108.313 108.800 -0.004 0.000 2.184 131 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.206 131 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.206 131 G C 0.480 175.430 174.900 0.083 0.000 0.995 131 G CA -0.374 44.758 45.100 0.053 0.000 0.651 131 G HN 0.471 nan 8.290 nan 0.000 0.511 132 G N -0.391 108.418 108.800 0.014 0.000 2.444 132 G HA2 0.607 4.567 3.960 -0.000 0.000 0.268 132 G HA3 0.607 4.567 3.960 -0.000 0.000 0.268 132 G C 0.148 175.074 174.900 0.044 0.000 1.203 132 G CA 0.237 45.317 45.100 -0.034 0.000 0.835 132 G HN 1.196 nan 8.290 nan 0.000 0.543 133 H N -1.414 117.658 119.070 0.003 0.000 3.052 133 H HA 0.355 4.911 4.556 -0.000 0.000 0.257 133 H C 0.396 175.722 175.328 -0.003 0.000 1.193 133 H CA -0.651 55.398 56.048 0.001 0.000 1.072 133 H CB 0.188 29.957 29.762 0.012 0.000 1.685 133 H HN 0.268 nan 8.280 nan 0.000 0.630 134 K N 1.181 121.489 120.400 -0.153 0.000 2.258 134 K HA 0.096 4.415 4.320 -0.000 0.000 0.264 134 K C 0.103 176.667 176.600 -0.060 0.000 1.007 134 K CA -0.009 56.223 56.287 -0.092 0.000 0.941 134 K CB 1.344 33.779 32.500 -0.108 0.000 0.966 134 K HN 0.474 nan 8.250 nan 0.000 0.480 135 E N 0.933 121.109 120.200 -0.041 0.000 2.413 135 E HA -0.051 4.299 4.350 -0.000 0.000 0.203 135 E C -0.393 176.170 176.600 -0.060 0.000 0.957 135 E CA 0.268 56.641 56.400 -0.045 0.000 0.950 135 E CB 0.780 30.470 29.700 -0.018 0.000 0.957 135 E HN 0.469 nan 8.360 nan 0.000 0.497 136 Q N -0.314 119.454 119.800 -0.052 0.000 2.501 136 Q HA 0.520 4.860 4.340 -0.000 0.000 0.288 136 Q C -0.727 175.246 176.000 -0.045 0.000 1.051 136 Q CA -1.116 54.655 55.803 -0.054 0.000 0.788 136 Q CB 1.828 30.543 28.738 -0.038 0.000 1.469 136 Q HN -0.030 nan 8.270 nan 0.000 0.416 137 V N -2.864 117.028 119.914 -0.038 0.000 2.735 137 V HA 0.648 4.768 4.120 -0.000 0.000 0.310 137 V C -0.612 175.493 176.094 0.018 0.000 1.061 137 V CA -0.860 61.430 62.300 -0.017 0.000 0.913 137 V CB 1.923 33.718 31.823 -0.047 0.000 1.005 137 V HN 0.790 nan 8.190 nan 0.000 0.428 138 E N 2.441 122.668 120.200 0.045 0.000 2.313 138 E HA 0.541 4.890 4.350 -0.000 0.000 0.276 138 E C -0.464 176.189 176.600 0.088 0.000 1.031 138 E CA -0.380 56.053 56.400 0.056 0.000 0.857 138 E CB 1.994 31.729 29.700 0.059 0.000 1.040 138 E HN 0.921 nan 8.360 nan 0.000 0.408 139 V N -0.502 119.474 119.914 0.104 0.000 2.876 139 V HA 0.887 5.006 4.120 -0.000 0.000 0.312 139 V C 0.118 176.339 176.094 0.212 0.000 1.085 139 V CA -0.669 61.727 62.300 0.160 0.000 0.945 139 V CB 1.746 33.690 31.823 0.201 0.000 1.017 139 V HN 0.704 nan 8.190 nan 0.000 0.428 140 G N 0.534 109.412 108.800 0.130 0.000 3.107 140 G HA2 0.755 4.715 3.960 -0.000 0.000 0.232 140 G HA3 0.755 4.715 3.960 -0.000 0.000 0.232 140 G C -1.195 173.622 174.900 -0.137 0.000 1.339 140 G CA -0.646 44.489 45.100 0.058 0.000 1.033 140 G HN 1.419 nan 8.290 nan 0.000 0.567 141 V N -0.653 119.083 119.914 -0.297 0.000 2.888 141 V HA 0.676 4.796 4.120 -0.000 0.000 0.309 141 V C -0.729 175.171 176.094 -0.323 0.000 1.114 141 V CA -0.663 61.358 62.300 -0.466 0.000 0.940 141 V CB 2.151 33.433 31.823 -0.902 0.000 1.021 141 V HN 0.894 nan 8.190 nan 0.000 0.426 142 S N 6.922 122.484 115.700 -0.231 0.000 2.422 142 S HA 0.701 5.171 4.470 -0.000 0.000 0.308 142 S C -0.848 173.687 174.600 -0.109 0.000 1.097 142 S CA -0.533 57.621 58.200 -0.076 0.000 1.099 142 S CB 0.137 63.415 63.200 0.130 0.000 0.976 142 S HN 0.596 nan 8.310 nan 0.000 0.471 143 L N 4.550 125.684 121.223 -0.148 0.000 2.331 143 L HA 0.601 4.941 4.340 -0.000 0.000 0.275 143 L C 1.460 178.275 176.870 -0.092 0.000 1.022 143 L CA -1.003 53.731 54.840 -0.177 0.000 0.812 143 L CB 1.380 43.283 42.059 -0.259 0.000 1.257 143 L HN 0.797 nan 8.230 nan 0.000 0.435 144 G N 2.439 111.177 108.800 -0.104 0.000 2.913 144 G HA2 0.375 4.334 3.960 -0.000 0.000 0.145 144 G HA3 0.375 4.334 3.960 -0.000 0.000 0.145 144 G C -0.137 174.733 174.900 -0.050 0.000 1.801 144 G CA -0.129 44.875 45.100 -0.160 0.000 1.033 144 G HN 0.429 nan 8.290 nan 0.000 0.495 145 I N -0.186 120.377 120.570 -0.012 0.000 2.769 145 I HA 0.432 4.602 4.170 -0.000 0.000 0.298 145 I C -0.871 175.286 176.117 0.066 0.000 1.128 145 I CA -0.602 60.755 61.300 0.095 0.000 1.031 145 I CB 2.526 40.549 38.000 0.039 0.000 1.235 145 I HN 0.577 nan 8.210 nan 0.000 0.423 146 Q N 5.008 124.900 119.800 0.153 0.000 2.468 146 Q HA 0.467 4.807 4.340 -0.000 0.000 0.263 146 Q C -0.229 175.867 176.000 0.160 0.000 0.979 146 Q CA 0.068 55.922 55.803 0.084 0.000 0.932 146 Q CB 1.896 30.672 28.738 0.064 0.000 1.462 146 Q HN 0.911 nan 8.270 nan 0.000 0.403 147 A N 3.260 126.105 122.820 0.042 0.000 3.115 147 A HA -0.404 3.915 4.320 -0.000 0.000 0.357 147 A C 0.232 177.973 177.584 0.262 0.000 3.236 147 A CA 3.064 55.146 52.037 0.075 0.000 0.959 147 A CB -2.114 16.924 19.000 0.063 0.000 1.307 147 A HN 1.233 nan 8.150 nan 0.000 0.582 148 D N -4.468 116.097 120.400 0.275 0.000 2.865 148 D HA 0.435 5.075 4.640 -0.000 0.000 0.343 148 D C 0.383 176.748 176.300 0.109 0.000 1.372 148 D CA 0.084 54.229 54.000 0.241 0.000 0.862 148 D CB -0.419 40.470 40.800 0.147 0.000 1.425 148 D HN 0.285 nan 8.370 nan 0.000 0.501 149 E N -1.034 119.190 120.200 0.040 0.000 2.007 149 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 149 E C 0.642 177.239 176.600 -0.005 0.000 0.999 149 E CA 1.281 57.670 56.400 -0.017 0.000 0.811 149 E CB -0.051 29.627 29.700 -0.036 0.000 0.762 149 E HN 0.346 nan 8.360 nan 0.000 0.450 150 Q N -0.525 119.276 119.800 0.001 0.000 2.642 150 Q HA 0.224 4.564 4.340 -0.000 0.000 0.319 150 Q C -0.701 175.307 176.000 0.014 0.000 1.030 150 Q CA 0.164 55.964 55.803 -0.006 0.000 0.943 150 Q CB 0.313 29.041 28.738 -0.017 0.000 1.323 150 Q HN 0.271 nan 8.270 nan 0.000 0.419 151 A N -1.131 121.710 122.820 0.035 0.000 2.381 151 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 151 A C 0.941 178.566 177.584 0.068 0.000 2.810 151 A CA 0.302 52.367 52.037 0.048 0.000 1.564 151 A CB -0.458 18.568 19.000 0.042 0.000 0.368 151 A HN 0.285 nan 8.150 nan 0.000 0.558 152 T N -1.017 113.583 114.554 0.076 0.000 3.023 152 T HA 0.079 4.428 4.350 -0.000 0.000 0.249 152 T C 1.799 176.545 174.700 0.077 0.000 1.050 152 T CA 1.502 63.653 62.100 0.085 0.000 1.088 152 T CB -0.136 68.795 68.868 0.105 0.000 0.946 152 T HN 0.230 nan 8.240 nan 0.000 0.480 153 V N 2.432 122.400 119.914 0.091 0.000 2.357 153 V HA -0.292 3.828 4.120 -0.000 0.000 0.257 153 V C 2.180 178.384 176.094 0.183 0.000 1.082 153 V CA 2.387 64.791 62.300 0.174 0.000 1.078 153 V CB -0.634 31.266 31.823 0.128 0.000 0.663 153 V HN 0.528 nan 8.190 nan 0.000 0.455 154 D N -0.575 119.893 120.400 0.113 0.000 2.103 154 D HA -0.193 4.447 4.640 -0.000 0.000 0.190 154 D C 1.884 178.240 176.300 0.093 0.000 0.997 154 D CA 1.430 55.486 54.000 0.094 0.000 0.833 154 D CB -0.526 40.310 40.800 0.061 0.000 0.961 154 D HN 0.361 nan 8.370 nan 0.000 0.447 155 L N 0.289 121.560 121.223 0.080 0.000 2.127 155 L HA -0.130 4.210 4.340 -0.000 0.000 0.211 155 L C 2.102 179.073 176.870 0.168 0.000 1.089 155 L CA 1.193 56.092 54.840 0.098 0.000 0.757 155 L CB -0.192 41.890 42.059 0.039 0.000 0.899 155 L HN -0.064 nan 8.230 nan 0.000 0.434 156 V N -0.899 119.064 119.914 0.082 0.000 2.407 156 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 156 V C 2.685 178.722 176.094 -0.095 0.000 1.041 156 V CA 1.680 63.969 62.300 -0.019 0.000 1.040 156 V CB -0.515 31.268 31.823 -0.067 0.000 0.671 156 V HN 0.448 nan 8.190 nan 0.000 0.455 157 R N 0.055 120.599 120.500 0.074 0.000 2.094 157 R HA -0.230 4.110 4.340 -0.000 0.000 0.239 157 R C 2.483 178.797 176.300 0.023 0.000 1.137 157 R CA 1.893 58.097 56.100 0.174 0.000 0.943 157 R CB -0.229 30.255 30.300 0.307 0.000 0.850 157 R HN 0.265 nan 8.270 nan 0.000 0.433 158 R N -0.974 119.523 120.500 -0.004 0.000 2.133 158 R HA -0.166 4.174 4.340 -0.000 0.000 0.247 158 R C 1.930 178.075 176.300 -0.257 0.000 1.151 158 R CA 2.119 58.132 56.100 -0.145 0.000 0.971 158 R CB -0.426 29.735 30.300 -0.231 0.000 0.866 158 R HN 0.516 nan 8.270 nan 0.000 0.447 159 H N -1.947 117.091 119.070 -0.053 0.000 2.486 159 H HA 0.128 4.684 4.556 -0.000 0.000 0.287 159 H C 1.687 177.023 175.328 0.014 0.000 1.010 159 H CA 0.907 56.967 56.048 0.019 0.000 1.324 159 H CB 0.356 30.068 29.762 -0.084 0.000 1.446 159 H HN -0.082 nan 8.280 nan 0.000 0.537 160 V N 0.772 120.650 119.914 -0.059 0.000 2.515 160 V HA -0.175 3.945 4.120 -0.000 0.000 0.250 160 V C 1.756 177.815 176.094 -0.058 0.000 1.058 160 V CA 1.643 63.867 62.300 -0.127 0.000 1.064 160 V CB -0.279 31.321 31.823 -0.371 0.000 0.675 160 V HN 0.467 nan 8.190 nan 0.000 0.461 161 E N -0.208 119.968 120.200 -0.040 0.000 2.265 161 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 161 E C 2.068 178.634 176.600 -0.057 0.000 0.996 161 E CA 0.727 57.110 56.400 -0.028 0.000 0.832 161 E CB -0.050 29.638 29.700 -0.020 0.000 0.756 161 E HN 0.503 nan 8.360 nan 0.000 0.491 162 Q N -0.771 118.988 119.800 -0.068 0.000 2.403 162 Q HA 0.053 4.393 4.340 -0.000 0.000 0.203 162 Q C 1.144 177.009 176.000 -0.226 0.000 0.932 162 Q CA 0.752 56.472 55.803 -0.138 0.000 0.945 162 Q CB 0.926 29.593 28.738 -0.119 0.000 1.045 162 Q HN 0.406 nan 8.270 nan 0.000 0.511 163 G N 0.441 109.160 108.800 -0.135 0.000 2.143 163 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.248 163 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.248 163 G C -0.229 174.582 174.900 -0.148 0.000 0.991 163 G CA -0.084 44.936 45.100 -0.134 0.000 0.689 163 G HN 0.357 nan 8.290 nan 0.000 0.522 164 Y N -0.251 120.024 120.300 -0.041 0.000 2.712 164 Y HA 0.241 4.791 4.550 -0.000 0.000 0.333 164 Y C 2.050 177.914 175.900 -0.060 0.000 1.225 164 Y CA 0.481 58.557 58.100 -0.039 0.000 1.499 164 Y CB 0.460 38.904 38.460 -0.027 0.000 1.288 164 Y HN 0.132 nan 8.280 nan 0.000 0.575 165 R N 1.278 121.844 120.500 0.109 0.000 2.297 165 R HA 0.105 4.444 4.340 -0.000 0.000 0.197 165 R C 0.238 176.528 176.300 -0.017 0.000 0.943 165 R CA 0.256 56.371 56.100 0.025 0.000 1.038 165 R CB 0.352 30.663 30.300 0.018 0.000 0.957 165 R HN 0.371 nan 8.270 nan 0.000 0.484 166 R N 1.025 121.506 120.500 -0.031 0.000 2.584 166 R HA 0.256 4.596 4.340 -0.000 0.000 0.276 166 R C -1.684 174.531 176.300 -0.142 0.000 1.046 166 R CA -0.518 55.513 56.100 -0.116 0.000 0.906 166 R CB 1.359 31.553 30.300 -0.177 0.000 1.215 166 R HN -0.062 nan 8.270 nan 0.000 0.449 167 I N 3.944 124.410 120.570 -0.173 0.000 2.354 167 I HA 0.361 4.531 4.170 -0.000 0.000 0.292 167 I C 0.059 176.054 176.117 -0.203 0.000 0.989 167 I CA -0.612 60.570 61.300 -0.196 0.000 1.188 167 I CB 1.507 39.387 38.000 -0.199 0.000 1.342 167 I HN 0.465 nan 8.210 nan 0.000 0.457 168 K N 7.760 128.043 120.400 -0.195 0.000 2.323 168 K HA 0.638 4.957 4.320 -0.000 0.000 0.259 168 K C -1.627 174.907 176.600 -0.109 0.000 0.947 168 K CA -0.575 55.625 56.287 -0.145 0.000 0.819 168 K CB 1.524 33.958 32.500 -0.110 0.000 1.109 168 K HN 0.561 nan 8.250 nan 0.000 0.429 169 L N 4.709 125.881 121.223 -0.084 0.000 2.287 169 L HA 0.396 4.736 4.340 -0.000 0.000 0.287 169 L C 0.087 176.947 176.870 -0.017 0.000 1.022 169 L CA -1.137 53.664 54.840 -0.065 0.000 0.814 169 L CB 1.395 43.403 42.059 -0.085 0.000 1.217 169 L HN 0.479 nan 8.230 nan 0.000 0.420 170 K N 5.290 125.677 120.400 -0.022 0.000 2.412 170 K HA 0.362 4.682 4.320 -0.000 0.000 0.281 170 K C -0.169 176.455 176.600 0.039 0.000 1.027 170 K CA 0.129 56.407 56.287 -0.013 0.000 0.989 170 K CB 1.180 33.596 32.500 -0.140 0.000 0.935 170 K HN 0.615 nan 8.250 nan 0.000 0.475 171 I N -1.063 119.559 120.570 0.086 0.000 3.445 171 I HA 0.647 4.817 4.170 -0.000 0.000 0.303 171 I C -0.762 175.449 176.117 0.157 0.000 1.129 171 I CA -1.125 60.262 61.300 0.145 0.000 0.989 171 I CB 2.384 40.459 38.000 0.125 0.000 1.314 171 I HN 0.550 nan 8.210 nan 0.000 0.488 172 K N -0.389 120.127 120.400 0.194 0.000 2.685 172 K HA 0.477 4.796 4.320 -0.000 0.000 0.290 172 K C -3.240 173.392 176.600 0.053 0.000 1.018 172 K CA -1.595 54.701 56.287 0.016 0.000 0.860 172 K CB 0.885 33.372 32.500 -0.022 0.000 1.498 172 K HN 0.221 nan 8.250 nan 0.000 0.390 173 P HA -0.047 nan 4.420 nan 0.000 0.255 173 P C 0.624 177.993 177.300 0.116 0.000 1.161 173 P CA 2.087 65.185 63.100 -0.003 0.000 0.768 173 P CB 0.019 31.645 31.700 -0.124 0.000 0.746 174 G N 1.961 110.875 108.800 0.190 0.000 2.176 174 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.253 174 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.253 174 G C -0.299 174.814 174.900 0.356 0.000 0.979 174 G CA -0.285 44.939 45.100 0.205 0.000 0.641 174 G HN 0.607 nan 8.290 nan 0.000 0.530 175 W N 1.164 122.495 121.300 0.052 0.000 1.752 175 W HA 0.414 5.073 4.660 -0.000 0.000 0.308 175 W C -0.043 176.508 176.519 0.053 0.000 0.978 175 W CA 0.295 57.659 57.345 0.031 0.000 1.401 175 W CB 0.361 29.821 29.460 -0.001 0.000 1.522 175 W HN 0.350 nan 8.180 nan 0.000 0.359 176 D N -1.128 119.137 120.400 -0.225 0.000 2.712 176 D HA -0.002 4.638 4.640 -0.000 0.000 0.181 176 D C 1.315 177.467 176.300 -0.248 0.000 1.434 176 D CA 0.226 54.126 54.000 -0.167 0.000 1.446 176 D CB 0.186 41.019 40.800 0.056 0.000 1.609 176 D HN -0.133 nan 8.370 nan 0.000 0.340 177 V N 0.804 120.612 119.914 -0.176 0.000 2.871 177 V HA -0.085 4.035 4.120 -0.000 0.000 0.256 177 V C 2.004 177.933 176.094 -0.276 0.000 1.082 177 V CA 1.460 63.670 62.300 -0.150 0.000 1.105 177 V CB -0.825 30.999 31.823 0.002 0.000 0.713 177 V HN 0.117 nan 8.190 nan 0.000 0.473 178 Q N 0.800 120.376 119.800 -0.374 0.000 1.890 178 Q HA -0.086 4.253 4.340 -0.000 0.000 0.208 178 Q C -0.025 175.627 176.000 -0.579 0.000 0.982 178 Q CA 1.853 57.365 55.803 -0.485 0.000 0.856 178 Q CB -1.936 26.416 28.738 -0.643 0.000 0.915 178 Q HN 0.418 nan 8.270 nan 0.000 0.427 179 P HA -0.236 nan 4.420 nan 0.000 0.220 179 P C 1.316 178.393 177.300 -0.371 0.000 1.155 179 P CA 1.456 64.219 63.100 -0.562 0.000 0.880 179 P CB -0.096 31.237 31.700 -0.611 0.000 0.790 180 V N -0.452 119.213 119.914 -0.414 0.000 2.453 180 V HA -0.154 3.966 4.120 -0.000 0.000 0.247 180 V C 2.798 178.525 176.094 -0.613 0.000 1.048 180 V CA 1.319 63.350 62.300 -0.448 0.000 1.049 180 V CB -0.868 30.677 31.823 -0.463 0.000 0.672 180 V HN 0.037 nan 8.190 nan 0.000 0.457 181 R N 0.325 120.440 120.500 -0.642 0.000 2.122 181 R HA -0.266 4.074 4.340 -0.000 0.000 0.236 181 R C 2.465 178.602 176.300 -0.272 0.000 1.129 181 R CA 2.009 57.812 56.100 -0.495 0.000 0.925 181 R CB -1.016 29.137 30.300 -0.245 0.000 0.850 181 R HN 0.509 nan 8.270 nan 0.000 0.431 182 A N 0.171 122.866 122.820 -0.207 0.000 1.909 182 A HA -0.260 4.060 4.320 -0.000 0.000 0.221 182 A C 2.330 179.868 177.584 -0.076 0.000 1.223 182 A CA 2.787 54.753 52.037 -0.118 0.000 0.658 182 A CB -1.177 17.761 19.000 -0.104 0.000 0.831 182 A HN 0.491 nan 8.150 nan 0.000 0.462 183 T N -1.337 113.168 114.554 -0.082 0.000 2.857 183 T HA -0.069 4.281 4.350 -0.000 0.000 0.266 183 T C 2.025 176.767 174.700 0.071 0.000 1.048 183 T CA 1.582 63.703 62.100 0.035 0.000 1.139 183 T CB -0.160 68.694 68.868 -0.023 0.000 0.874 183 T HN 0.498 nan 8.240 nan 0.000 0.455 184 R N 1.485 121.959 120.500 -0.044 0.000 2.236 184 R HA 0.060 4.400 4.340 -0.000 0.000 0.208 184 R C 2.025 178.338 176.300 0.022 0.000 1.036 184 R CA 1.142 57.249 56.100 0.012 0.000 1.001 184 R CB -0.259 30.042 30.300 0.001 0.000 0.896 184 R HN 0.551 nan 8.270 nan 0.000 0.464 185 E N -0.366 119.819 120.200 -0.024 0.000 2.016 185 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 185 E C 1.681 178.218 176.600 -0.105 0.000 0.985 185 E CA 1.424 57.799 56.400 -0.042 0.000 0.802 185 E CB -0.345 29.325 29.700 -0.052 0.000 0.762 185 E HN 0.268 nan 8.360 nan 0.000 0.448 186 A N -0.320 122.390 122.820 -0.184 0.000 2.014 186 A HA 0.061 4.380 4.320 -0.000 0.000 0.218 186 A C 0.464 177.610 177.584 -0.730 0.000 1.163 186 A CA 0.649 52.406 52.037 -0.468 0.000 0.652 186 A CB -0.219 18.434 19.000 -0.579 0.000 0.808 186 A HN 0.328 nan 8.150 nan 0.000 0.449 187 F N -1.357 118.578 119.950 -0.025 0.000 2.686 187 F HA 0.350 4.877 4.527 -0.000 0.000 0.365 187 F C -2.124 173.665 175.800 -0.019 0.000 1.196 187 F CA -1.742 56.246 58.000 -0.021 0.000 1.198 187 F CB 1.645 40.630 39.000 -0.025 0.000 1.454 187 F HN -0.009 nan 8.300 nan 0.000 0.539 188 P HA -0.077 nan 4.420 nan 0.000 0.222 188 P C 0.480 177.823 177.300 0.072 0.000 1.147 188 P CA 1.337 64.480 63.100 0.071 0.000 0.790 188 P CB 0.370 32.091 31.700 0.034 0.000 0.780 189 D N -1.791 118.660 120.400 0.085 0.000 2.474 189 D HA 0.114 4.754 4.640 -0.000 0.000 0.213 189 D C 0.748 177.068 176.300 0.032 0.000 1.120 189 D CA -0.223 53.807 54.000 0.050 0.000 0.836 189 D CB 0.011 40.837 40.800 0.044 0.000 1.019 189 D HN 0.169 nan 8.370 nan 0.000 0.507 190 I N -0.899 119.692 120.570 0.036 0.000 2.892 190 I HA 0.171 4.341 4.170 -0.000 0.000 0.287 190 I C 0.141 176.233 176.117 -0.041 0.000 1.205 190 I CA -0.502 60.787 61.300 -0.018 0.000 1.409 190 I CB 0.680 38.640 38.000 -0.066 0.000 1.367 190 I HN -0.311 nan 8.210 nan 0.000 0.597 191 R N 4.133 124.595 120.500 -0.063 0.000 2.404 191 R HA 0.353 4.693 4.340 -0.000 0.000 0.315 191 R C -0.765 175.451 176.300 -0.140 0.000 1.032 191 R CA -0.392 55.650 56.100 -0.097 0.000 0.992 191 R CB 0.379 30.621 30.300 -0.097 0.000 0.959 191 R HN 0.506 nan 8.270 nan 0.000 0.428 192 L N 2.489 123.618 121.223 -0.157 0.000 2.381 192 L HA 0.504 4.844 4.340 -0.000 0.000 0.268 192 L C -0.290 176.423 176.870 -0.261 0.000 0.997 192 L CA -0.097 54.636 54.840 -0.179 0.000 0.818 192 L CB 2.359 44.349 42.059 -0.116 0.000 1.310 192 L HN 0.792 nan 8.230 nan 0.000 0.416 193 T N 1.234 115.617 114.554 -0.286 0.000 2.787 193 T HA 0.840 5.190 4.350 -0.000 0.000 0.297 193 T C -0.723 173.879 174.700 -0.163 0.000 1.221 193 T CA -0.118 61.772 62.100 -0.350 0.000 1.006 193 T CB 1.313 69.754 68.868 -0.713 0.000 1.328 193 T HN 1.028 nan 8.240 nan 0.000 0.509 194 V N -1.762 118.115 119.914 -0.061 0.000 3.160 194 V HA 0.939 5.059 4.120 -0.000 0.000 0.310 194 V C -1.857 174.325 176.094 0.146 0.000 1.181 194 V CA -0.873 61.443 62.300 0.027 0.000 1.047 194 V CB 1.988 33.822 31.823 0.018 0.000 1.068 194 V HN 1.126 nan 8.190 nan 0.000 0.441 195 D N 0.735 121.230 120.400 0.159 0.000 2.736 195 D HA 0.727 5.367 4.640 -0.000 0.000 0.243 195 D C 0.198 176.627 176.300 0.215 0.000 1.304 195 D CA 0.262 54.396 54.000 0.224 0.000 0.934 195 D CB 1.978 42.914 40.800 0.227 0.000 1.382 195 D HN 0.956 nan 8.370 nan 0.000 0.571 196 A N 3.563 126.549 122.820 0.276 0.000 2.267 196 A HA 0.146 4.466 4.320 -0.000 0.000 0.213 196 A C 0.760 178.479 177.584 0.224 0.000 1.192 196 A CA -0.153 52.050 52.037 0.277 0.000 0.851 196 A CB -0.255 19.034 19.000 0.481 0.000 0.881 196 A HN 0.685 nan 8.150 nan 0.000 0.494 197 N N 0.741 119.608 118.700 0.279 0.000 2.689 197 N HA -0.181 4.559 4.740 -0.000 0.000 0.263 197 N C -0.082 175.605 175.510 0.294 0.000 0.987 197 N CA 1.150 54.403 53.050 0.338 0.000 0.782 197 N CB -1.199 37.563 38.487 0.459 0.000 0.903 197 N HN 0.538 nan 8.380 nan 0.000 0.547 198 S N -3.630 112.243 115.700 0.289 0.000 3.672 198 S HA -0.259 4.211 4.470 -0.000 0.000 0.319 198 S C 1.197 175.908 174.600 0.185 0.000 1.151 198 S CA 0.732 59.097 58.200 0.275 0.000 0.911 198 S CB -1.470 61.925 63.200 0.327 0.000 0.939 198 S HN 0.874 nan 8.310 nan 0.000 0.524 199 A N -1.181 121.695 122.820 0.093 0.000 2.081 199 A HA 0.430 4.750 4.320 -0.000 0.000 0.214 199 A C 0.537 177.992 177.584 -0.216 0.000 1.158 199 A CA 0.667 52.631 52.037 -0.122 0.000 0.724 199 A CB 0.003 18.806 19.000 -0.328 0.000 0.826 199 A HN 0.596 nan 8.150 nan 0.000 0.463 200 Y N -0.091 120.251 120.300 0.071 0.000 2.480 200 Y HA 0.516 5.066 4.550 -0.000 0.000 0.323 200 Y C 1.100 177.005 175.900 0.008 0.000 1.267 200 Y CA 0.011 58.133 58.100 0.038 0.000 1.336 200 Y CB 0.885 39.362 38.460 0.029 0.000 1.361 200 Y HN 0.123 nan 8.280 nan 0.000 0.518 201 T N -2.995 111.673 114.554 0.189 0.000 2.888 201 T HA 0.377 4.727 4.350 -0.000 0.000 0.288 201 T C 0.500 175.227 174.700 0.045 0.000 1.063 201 T CA -0.881 61.263 62.100 0.073 0.000 1.010 201 T CB 0.704 69.604 68.868 0.052 0.000 1.214 201 T HN 0.598 nan 8.240 nan 0.000 0.533 202 L N 0.708 121.931 121.223 -0.000 0.000 2.187 202 L HA -0.040 4.300 4.340 -0.000 0.000 0.213 202 L C 3.175 180.048 176.870 0.005 0.000 1.100 202 L CA 1.486 56.318 54.840 -0.012 0.000 0.765 202 L CB -0.991 41.055 42.059 -0.022 0.000 0.904 202 L HN 0.960 nan 8.230 nan 0.000 0.437 203 A N 0.007 122.840 122.820 0.022 0.000 1.958 203 A HA -0.253 4.067 4.320 -0.000 0.000 0.221 203 A C 1.723 179.328 177.584 0.035 0.000 1.178 203 A CA 2.103 54.157 52.037 0.029 0.000 0.642 203 A CB -0.464 18.559 19.000 0.039 0.000 0.816 203 A HN 0.417 nan 8.150 nan 0.000 0.453 204 D N -0.210 120.224 120.400 0.055 0.000 2.324 204 D HA 0.269 4.909 4.640 -0.000 0.000 0.235 204 D C 1.758 178.041 176.300 -0.029 0.000 1.095 204 D CA 0.768 54.801 54.000 0.055 0.000 0.871 204 D CB -0.019 40.887 40.800 0.177 0.000 0.906 204 D HN 0.482 nan 8.370 nan 0.000 0.522 205 A N 0.931 123.734 122.820 -0.028 0.000 1.972 205 A HA -0.045 4.274 4.320 -0.000 0.000 0.219 205 A C 2.340 179.895 177.584 -0.047 0.000 1.169 205 A CA 1.723 53.730 52.037 -0.050 0.000 0.635 205 A CB -0.805 18.175 19.000 -0.033 0.000 0.810 205 A HN 0.312 nan 8.150 nan 0.000 0.446 206 G N -0.273 108.511 108.800 -0.028 0.000 2.433 206 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.216 206 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.216 206 G C 1.720 176.601 174.900 -0.031 0.000 1.186 206 G CA 1.036 46.123 45.100 -0.023 0.000 0.779 206 G HN 0.548 nan 8.290 nan 0.000 0.543 207 R N 0.002 120.484 120.500 -0.031 0.000 2.094 207 R HA -0.023 4.316 4.340 -0.000 0.000 0.239 207 R C 2.628 178.880 176.300 -0.080 0.000 1.137 207 R CA 1.418 57.495 56.100 -0.038 0.000 0.943 207 R CB -0.649 29.640 30.300 -0.017 0.000 0.850 207 R HN 0.351 nan 8.270 nan 0.000 0.433 208 L N -0.237 120.901 121.223 -0.142 0.000 2.275 208 L HA -0.064 4.276 4.340 -0.000 0.000 0.215 208 L C 2.509 179.332 176.870 -0.079 0.000 1.119 208 L CA 0.897 55.641 54.840 -0.160 0.000 0.790 208 L CB -0.250 41.674 42.059 -0.225 0.000 0.919 208 L HN 0.125 nan 8.230 nan 0.000 0.443 209 R N 0.107 120.571 120.500 -0.060 0.000 2.189 209 R HA -0.128 4.212 4.340 -0.000 0.000 0.218 209 R C 2.218 178.491 176.300 -0.045 0.000 1.074 209 R CA 0.851 56.924 56.100 -0.044 0.000 0.991 209 R CB 0.010 30.287 30.300 -0.039 0.000 0.883 209 R HN 0.404 nan 8.270 nan 0.000 0.457 210 Q N 0.094 119.873 119.800 -0.035 0.000 2.124 210 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 210 Q C 1.907 177.901 176.000 -0.010 0.000 0.977 210 Q CA 1.477 57.264 55.803 -0.028 0.000 0.850 210 Q CB -0.091 28.654 28.738 0.011 0.000 0.901 210 Q HN 0.393 nan 8.270 nan 0.000 0.429 211 L N 0.737 121.990 121.223 0.049 0.000 2.349 211 L HA -0.221 4.119 4.340 -0.000 0.000 0.220 211 L C 1.404 178.311 176.870 0.061 0.000 1.130 211 L CA 0.678 55.608 54.840 0.150 0.000 0.791 211 L CB -0.363 41.738 42.059 0.070 0.000 0.918 211 L HN 0.187 nan 8.230 nan 0.000 0.444 212 D N 0.288 120.664 120.400 -0.040 0.000 2.144 212 D HA -0.208 4.431 4.640 -0.000 0.000 0.199 212 D C 2.049 178.277 176.300 -0.121 0.000 0.984 212 D CA 1.324 55.288 54.000 -0.059 0.000 0.834 212 D CB 0.048 40.813 40.800 -0.059 0.000 0.955 212 D HN 0.561 nan 8.370 nan 0.000 0.465 213 E N -0.600 119.437 120.200 -0.271 0.000 2.268 213 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 213 E C 0.954 177.346 176.600 -0.347 0.000 0.995 213 E CA 0.845 57.027 56.400 -0.364 0.000 0.836 213 E CB -0.463 28.927 29.700 -0.517 0.000 0.763 213 E HN 0.375 nan 8.360 nan 0.000 0.491 214 Y N 1.149 121.425 120.300 -0.039 0.000 2.529 214 Y HA 0.085 4.635 4.550 -0.000 0.000 0.290 214 Y C 0.199 176.073 175.900 -0.044 0.000 1.177 214 Y CA 0.150 58.225 58.100 -0.042 0.000 1.305 214 Y CB -0.061 38.367 38.460 -0.053 0.000 1.047 214 Y HN 0.027 nan 8.280 nan 0.000 0.522 215 D N 0.849 121.281 120.400 0.053 0.000 2.718 215 D HA -0.195 4.444 4.640 -0.000 0.000 0.242 215 D C -0.685 175.616 176.300 0.001 0.000 1.123 215 D CA 0.325 54.336 54.000 0.019 0.000 0.690 215 D CB -0.893 39.916 40.800 0.016 0.000 1.059 215 D HN 0.281 nan 8.370 nan 0.000 0.429 216 L N 0.053 121.271 121.223 -0.008 0.000 2.395 216 L HA 0.194 4.533 4.340 -0.000 0.000 0.269 216 L C 2.276 179.089 176.870 -0.094 0.000 1.133 216 L CA -0.469 54.325 54.840 -0.076 0.000 0.812 216 L CB 0.711 42.725 42.059 -0.075 0.000 1.125 216 L HN -0.095 nan 8.230 nan 0.000 0.452 217 T N -0.055 114.376 114.554 -0.204 0.000 2.867 217 T HA -0.037 4.313 4.350 -0.000 0.000 0.268 217 T C -0.375 174.321 174.700 -0.006 0.000 1.057 217 T CA 1.278 63.291 62.100 -0.145 0.000 1.136 217 T CB -0.266 68.452 68.868 -0.251 0.000 0.874 217 T HN 0.625 nan 8.240 nan 0.000 0.466 218 Y N -2.013 118.305 120.300 0.030 0.000 2.810 218 Y HA 0.598 5.148 4.550 -0.000 0.000 0.355 218 Y C -2.032 173.909 175.900 0.067 0.000 1.211 218 Y CA -2.329 55.808 58.100 0.062 0.000 1.112 218 Y CB 0.426 38.950 38.460 0.107 0.000 1.383 218 Y HN -0.134 nan 8.280 nan 0.000 0.458 219 I N 1.983 122.758 120.570 0.341 0.000 2.362 219 I HA 0.323 4.493 4.170 -0.000 0.000 0.289 219 I C -0.541 175.790 176.117 0.356 0.000 0.994 219 I CA -0.633 60.825 61.300 0.263 0.000 1.158 219 I CB 1.848 39.935 38.000 0.146 0.000 1.315 219 I HN 0.684 nan 8.210 nan 0.000 0.451 220 E N 5.953 126.385 120.200 0.386 0.000 2.167 220 E HA 0.134 4.484 4.350 -0.000 0.000 0.284 220 E C -0.294 176.483 176.600 0.296 0.000 1.016 220 E CA -0.548 56.062 56.400 0.351 0.000 0.817 220 E CB 0.677 30.639 29.700 0.436 0.000 1.080 220 E HN 0.469 nan 8.360 nan 0.000 0.397 221 Q N 3.773 123.725 119.800 0.253 0.000 2.437 221 Q HA -0.168 4.172 4.340 -0.000 0.000 0.354 221 Q C -2.009 174.241 176.000 0.416 0.000 1.402 221 Q CA 0.611 56.601 55.803 0.312 0.000 1.020 221 Q CB -0.336 28.551 28.738 0.248 0.000 1.220 221 Q HN 0.534 nan 8.270 nan 0.000 0.368 222 P HA -0.147 nan 4.420 nan 0.000 0.216 222 P C 0.340 177.827 177.300 0.312 0.000 1.153 222 P CA 1.313 64.616 63.100 0.337 0.000 0.848 222 P CB 0.209 31.994 31.700 0.143 0.000 0.787 223 L N -1.668 119.625 121.223 0.116 0.000 2.491 223 L HA 0.621 4.960 4.340 -0.000 0.000 0.264 223 L C 0.833 177.806 176.870 0.172 0.000 1.053 223 L CA -1.708 53.105 54.840 -0.046 0.000 0.858 223 L CB -0.397 41.371 42.059 -0.485 0.000 1.519 223 L HN -0.222 nan 8.230 nan 0.000 0.508 224 A N 0.443 123.318 122.820 0.092 0.000 2.586 224 A HA -0.084 4.236 4.320 -0.000 0.000 0.231 224 A C 0.874 178.540 177.584 0.135 0.000 1.055 224 A CA 0.163 52.262 52.037 0.103 0.000 0.756 224 A CB -0.196 18.779 19.000 -0.042 0.000 0.988 224 A HN 0.903 nan 8.150 nan 0.000 0.509 225 W N 1.679 123.015 121.300 0.061 0.000 2.425 225 W HA -0.072 4.588 4.660 -0.000 0.000 0.277 225 W C -0.104 176.406 176.519 -0.015 0.000 1.231 225 W CA 1.178 58.527 57.345 0.007 0.000 1.248 225 W CB -0.624 28.789 29.460 -0.079 0.000 1.117 225 W HN 0.743 nan 8.180 nan 0.000 0.568 226 D N -0.208 119.679 120.400 -0.855 0.000 2.424 226 D HA 0.021 4.660 4.640 -0.000 0.000 0.220 226 D C -0.153 175.918 176.300 -0.381 0.000 1.150 226 D CA -0.139 53.370 54.000 -0.818 0.000 0.831 226 D CB -0.574 39.387 40.800 -1.399 0.000 0.981 226 D HN 0.084 nan 8.370 nan 0.000 0.500 227 D N 0.460 120.751 120.400 -0.180 0.000 2.198 227 D HA 0.255 4.895 4.640 -0.000 0.000 0.247 227 D C 0.435 176.766 176.300 0.051 0.000 1.010 227 D CA -0.571 53.405 54.000 -0.041 0.000 0.880 227 D CB 2.113 42.933 40.800 0.033 0.000 1.209 227 D HN 0.013 nan 8.370 nan 0.000 0.451 228 L N 2.204 123.443 121.223 0.026 0.000 2.663 228 L HA 0.055 4.395 4.340 -0.000 0.000 0.218 228 L C 2.266 179.172 176.870 0.060 0.000 1.043 228 L CA -0.107 54.747 54.840 0.024 0.000 0.876 228 L CB -0.010 42.023 42.059 -0.045 0.000 1.263 228 L HN 0.270 nan 8.230 nan 0.000 0.486 229 V N 0.567 120.495 119.914 0.024 0.000 2.295 229 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 229 V C 1.973 178.077 176.094 0.017 0.000 1.049 229 V CA 2.150 64.457 62.300 0.011 0.000 1.024 229 V CB -0.415 31.402 31.823 -0.010 0.000 0.648 229 V HN 0.390 nan 8.190 nan 0.000 0.447 230 D N -1.111 119.291 120.400 0.004 0.000 2.144 230 D HA -0.142 4.498 4.640 -0.000 0.000 0.200 230 D C 2.057 178.328 176.300 -0.049 0.000 0.978 230 D CA 1.318 55.294 54.000 -0.040 0.000 0.833 230 D CB -0.334 40.412 40.800 -0.090 0.000 0.961 230 D HN 0.582 nan 8.370 nan 0.000 0.470 231 H N 0.441 119.505 119.070 -0.010 0.000 2.353 231 H HA -0.001 4.554 4.556 -0.000 0.000 0.300 231 H C 2.071 177.394 175.328 -0.008 0.000 1.090 231 H CA 1.661 57.707 56.048 -0.003 0.000 1.327 231 H CB -0.029 29.729 29.762 -0.008 0.000 1.383 231 H HN 0.115 nan 8.280 nan 0.000 0.508 232 A N 0.675 123.560 122.820 0.108 0.000 1.908 232 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 232 A C 2.225 179.827 177.584 0.029 0.000 1.181 232 A CA 1.957 54.023 52.037 0.048 0.000 0.627 232 A CB -0.370 18.644 19.000 0.023 0.000 0.818 232 A HN 0.420 nan 8.150 nan 0.000 0.445 233 E N -0.096 120.114 120.200 0.017 0.000 2.051 233 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 233 E C 1.803 178.403 176.600 -0.000 0.000 0.991 233 E CA 1.428 57.829 56.400 0.003 0.000 0.799 233 E CB -0.519 29.177 29.700 -0.008 0.000 0.748 233 E HN 0.426 nan 8.360 nan 0.000 0.449 234 L N 0.223 121.441 121.223 -0.007 0.000 2.083 234 L HA -0.017 4.323 4.340 -0.000 0.000 0.209 234 L C 2.173 179.049 176.870 0.010 0.000 1.083 234 L CA 2.241 57.073 54.840 -0.012 0.000 0.752 234 L CB -0.861 41.174 42.059 -0.040 0.000 0.899 234 L HN 0.183 nan 8.230 nan 0.000 0.433 235 A N -0.722 122.117 122.820 0.031 0.000 2.015 235 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 235 A C 2.414 180.011 177.584 0.022 0.000 1.163 235 A CA 1.401 53.460 52.037 0.036 0.000 0.646 235 A CB -0.523 18.505 19.000 0.047 0.000 0.806 235 A HN 0.497 nan 8.150 nan 0.000 0.448 236 R N -0.860 119.649 120.500 0.015 0.000 2.115 236 R HA 0.012 4.351 4.340 -0.000 0.000 0.226 236 R C 2.142 178.445 176.300 0.005 0.000 1.100 236 R CA 1.130 57.236 56.100 0.010 0.000 0.980 236 R CB -0.134 30.171 30.300 0.008 0.000 0.875 236 R HN 0.448 nan 8.270 nan 0.000 0.445 237 R N 0.258 120.758 120.500 0.001 0.000 2.246 237 R HA 0.129 4.469 4.340 -0.000 0.000 0.199 237 R C 0.879 177.175 176.300 -0.007 0.000 0.984 237 R CA 0.488 56.586 56.100 -0.005 0.000 1.015 237 R CB 0.164 30.458 30.300 -0.010 0.000 0.930 237 R HN 0.224 nan 8.270 nan 0.000 0.475 238 I N -3.884 116.685 120.570 -0.001 0.000 2.892 238 I HA 0.397 4.567 4.170 -0.000 0.000 0.306 238 I C 0.443 176.564 176.117 0.007 0.000 1.078 238 I CA -1.036 60.263 61.300 -0.003 0.000 1.032 238 I CB 2.373 40.370 38.000 -0.006 0.000 1.229 238 I HN -0.342 nan 8.210 nan 0.000 0.435 239 R N 0.706 121.207 120.500 0.003 0.000 2.156 239 R HA 0.179 4.519 4.340 -0.000 0.000 0.207 239 R C 0.200 176.513 176.300 0.021 0.000 1.040 239 R CA 0.584 56.689 56.100 0.008 0.000 1.013 239 R CB 0.088 30.386 30.300 -0.003 0.000 0.931 239 R HN 0.751 nan 8.270 nan 0.000 0.465 240 T N 3.436 118.005 114.554 0.024 0.000 2.853 240 T HA 0.123 4.472 4.350 -0.000 0.000 0.298 240 T C -2.391 172.354 174.700 0.075 0.000 0.978 240 T CA -1.024 61.103 62.100 0.045 0.000 1.152 240 T CB 1.004 69.896 68.868 0.041 0.000 0.914 240 T HN -0.060 nan 8.240 nan 0.000 0.539 241 P HA 0.114 nan 4.420 nan 0.000 0.265 241 P C -0.426 176.975 177.300 0.168 0.000 1.187 241 P CA -0.084 63.092 63.100 0.126 0.000 0.766 241 P CB 0.396 32.190 31.700 0.158 0.000 0.820 242 L N 2.296 123.597 121.223 0.130 0.000 2.325 242 L HA 0.470 4.809 4.340 -0.000 0.000 0.279 242 L C 0.350 177.272 176.870 0.086 0.000 1.054 242 L CA -0.671 54.255 54.840 0.143 0.000 0.804 242 L CB 1.395 43.538 42.059 0.141 0.000 1.200 242 L HN 0.418 nan 8.230 nan 0.000 0.436 243 C N 4.579 123.929 119.300 0.083 0.000 2.351 243 C HA 0.643 5.103 4.460 -0.000 0.000 0.326 243 C C -0.075 174.875 174.990 -0.067 0.000 1.272 243 C CA -0.643 58.334 59.018 -0.068 0.000 1.650 243 C CB 0.167 27.779 27.740 -0.213 0.000 2.257 243 C HN 0.691 nan 8.230 nan 0.000 0.505 244 L N 5.481 126.611 121.223 -0.156 0.000 2.322 244 L HA 0.486 4.825 4.340 -0.000 0.000 0.279 244 L C 0.454 177.230 176.870 -0.156 0.000 1.036 244 L CA -0.028 54.704 54.840 -0.180 0.000 0.807 244 L CB 1.435 43.353 42.059 -0.234 0.000 1.226 244 L HN 0.771 nan 8.230 nan 0.000 0.433 245 D N 0.382 120.738 120.400 -0.073 0.000 3.054 245 D HA -0.020 4.620 4.640 -0.000 0.000 0.209 245 D C 1.395 177.717 176.300 0.036 0.000 1.527 245 D CA 0.268 54.257 54.000 -0.018 0.000 1.427 245 D CB 0.252 41.112 40.800 0.101 0.000 1.059 245 D HN 0.495 nan 8.370 nan 0.000 0.243 246 E N 0.222 120.478 120.200 0.094 0.000 2.160 246 E HA -0.045 4.305 4.350 -0.000 0.000 0.195 246 E C 1.975 178.618 176.600 0.071 0.000 0.991 246 E CA 1.213 57.651 56.400 0.063 0.000 0.810 246 E CB -0.077 29.662 29.700 0.065 0.000 0.742 246 E HN 0.078 nan 8.360 nan 0.000 0.466 247 S N -0.423 115.281 115.700 0.007 0.000 2.489 247 S HA 0.021 4.491 4.470 -0.000 0.000 0.228 247 S C 0.425 174.986 174.600 -0.064 0.000 0.995 247 S CA 0.191 58.359 58.200 -0.053 0.000 0.934 247 S CB 0.435 63.553 63.200 -0.138 0.000 0.771 247 S HN -0.047 nan 8.310 nan 0.000 0.522 248 V N 1.857 121.736 119.914 -0.058 0.000 2.293 248 V HA 0.562 4.681 4.120 -0.000 0.000 0.275 248 V C 0.391 176.468 176.094 -0.028 0.000 1.021 248 V CA -0.360 61.901 62.300 -0.064 0.000 0.815 248 V CB 0.760 32.522 31.823 -0.102 0.000 1.025 248 V HN 0.266 nan 8.190 nan 0.000 0.448 249 A N 3.914 126.727 122.820 -0.011 0.000 2.470 249 A HA 0.675 4.995 4.320 -0.000 0.000 0.251 249 A C 0.652 178.241 177.584 0.007 0.000 1.245 249 A CA 0.506 52.550 52.037 0.012 0.000 0.932 249 A CB 0.246 19.267 19.000 0.035 0.000 1.037 249 A HN 0.923 nan 8.150 nan 0.000 0.522 250 S N -3.294 112.402 115.700 -0.006 0.000 2.636 250 S HA 0.621 5.091 4.470 -0.000 0.000 0.268 250 S C 0.800 175.396 174.600 -0.007 0.000 1.159 250 S CA 0.052 58.252 58.200 0.000 0.000 0.815 250 S CB 0.811 64.015 63.200 0.006 0.000 1.130 250 S HN 1.013 nan 8.310 nan 0.000 0.471 251 A N 1.630 124.454 122.820 0.007 0.000 1.898 251 A HA 0.035 4.354 4.320 -0.000 0.000 0.216 251 A C 2.391 179.980 177.584 0.008 0.000 1.181 251 A CA 2.324 54.369 52.037 0.012 0.000 0.620 251 A CB -1.631 17.389 19.000 0.033 0.000 0.819 251 A HN 1.682 nan 8.150 nan 0.000 0.442 252 S N 0.455 116.160 115.700 0.009 0.000 2.368 252 S HA -0.225 4.245 4.470 -0.000 0.000 0.225 252 S C 1.447 176.037 174.600 -0.017 0.000 1.030 252 S CA 1.636 59.839 58.200 0.005 0.000 0.999 252 S CB -0.654 62.550 63.200 0.007 0.000 0.844 252 S HN 0.483 nan 8.310 nan 0.000 0.459 253 D N 2.515 122.899 120.400 -0.028 0.000 2.123 253 D HA -0.007 4.633 4.640 -0.000 0.000 0.196 253 D C 2.272 178.522 176.300 -0.082 0.000 0.992 253 D CA 1.600 55.569 54.000 -0.052 0.000 0.833 253 D CB -0.746 40.024 40.800 -0.049 0.000 0.954 253 D HN 0.592 nan 8.370 nan 0.000 0.455 254 A N 0.843 123.615 122.820 -0.079 0.000 1.898 254 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 254 A C 2.163 179.643 177.584 -0.173 0.000 1.181 254 A CA 1.303 53.266 52.037 -0.124 0.000 0.620 254 A CB -0.374 18.569 19.000 -0.095 0.000 0.819 254 A HN 0.046 nan 8.150 nan 0.000 0.442 255 R N 0.527 120.977 120.500 -0.083 0.000 2.083 255 R HA -0.157 4.182 4.340 -0.000 0.000 0.237 255 R C 1.816 178.040 176.300 -0.127 0.000 1.137 255 R CA 2.201 58.275 56.100 -0.045 0.000 0.951 255 R CB -0.458 29.899 30.300 0.095 0.000 0.851 255 R HN 0.568 nan 8.270 nan 0.000 0.434 256 K N -0.038 120.310 120.400 -0.087 0.000 2.057 256 K HA -0.026 4.294 4.320 -0.000 0.000 0.206 256 K C 2.207 178.729 176.600 -0.130 0.000 1.050 256 K CA 1.389 57.629 56.287 -0.078 0.000 0.935 256 K CB -0.208 32.260 32.500 -0.053 0.000 0.715 256 K HN 0.241 nan 8.250 nan 0.000 0.439 257 A N 1.297 124.017 122.820 -0.167 0.000 1.883 257 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 257 A C 2.109 179.542 177.584 -0.252 0.000 1.186 257 A CA 1.413 53.340 52.037 -0.183 0.000 0.624 257 A CB -0.630 18.254 19.000 -0.193 0.000 0.822 257 A HN 0.163 nan 8.150 nan 0.000 0.444 258 L N -1.183 119.776 121.223 -0.439 0.000 2.131 258 L HA -0.055 4.285 4.340 -0.000 0.000 0.206 258 L C 3.019 179.562 176.870 -0.545 0.000 1.087 258 L CA 0.803 55.240 54.840 -0.672 0.000 0.767 258 L CB -0.435 40.846 42.059 -1.297 0.000 0.917 258 L HN 0.411 nan 8.230 nan 0.000 0.441 259 A N -0.010 122.570 122.820 -0.400 0.000 1.969 259 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 259 A C 2.192 179.773 177.584 -0.005 0.000 1.169 259 A CA 1.223 53.264 52.037 0.005 0.000 0.635 259 A CB -0.540 18.538 19.000 0.130 0.000 0.810 259 A HN 0.361 nan 8.150 nan 0.000 0.445 260 L N -1.293 119.895 121.223 -0.058 0.000 2.395 260 L HA 0.109 4.448 4.340 -0.000 0.000 0.218 260 L C 1.656 178.510 176.870 -0.026 0.000 1.130 260 L CA 0.658 55.480 54.840 -0.030 0.000 0.826 260 L CB -0.221 41.815 42.059 -0.038 0.000 0.941 260 L HN 0.590 nan 8.230 nan 0.000 0.451 261 G N -0.519 108.249 108.800 -0.053 0.000 2.182 261 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.248 261 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.248 261 G C 0.878 175.763 174.900 -0.024 0.000 1.042 261 G CA 0.347 45.427 45.100 -0.033 0.000 0.775 261 G HN 0.427 nan 8.290 nan 0.000 0.501 262 A N -1.025 121.767 122.820 -0.047 0.000 2.066 262 A HA 0.605 4.924 4.320 -0.000 0.000 0.218 262 A C 1.631 179.198 177.584 -0.029 0.000 1.157 262 A CA 1.856 53.883 52.037 -0.015 0.000 0.670 262 A CB 0.170 19.141 19.000 -0.048 0.000 0.804 262 A HN 2.170 nan 8.150 nan 0.000 0.453 263 G N -3.896 104.862 108.800 -0.071 0.000 2.623 263 G HA2 0.452 4.412 3.960 -0.000 0.000 0.290 263 G HA3 0.452 4.412 3.960 -0.000 0.000 0.290 263 G C 0.211 175.072 174.900 -0.066 0.000 1.437 263 G CA 0.230 45.295 45.100 -0.058 0.000 0.798 263 G HN 0.602 nan 8.290 nan 0.000 0.488 264 G N -1.389 107.393 108.800 -0.030 0.000 3.192 264 G HA2 0.458 4.417 3.960 -0.000 0.000 0.239 264 G HA3 0.458 4.417 3.960 -0.000 0.000 0.239 264 G C -0.248 174.635 174.900 -0.028 0.000 1.084 264 G CA 0.335 45.424 45.100 -0.017 0.000 0.784 264 G HN 0.904 nan 8.290 nan 0.000 0.540 265 V N 0.887 120.763 119.914 -0.064 0.000 2.888 265 V HA 0.526 4.646 4.120 -0.000 0.000 0.309 265 V C -1.061 174.918 176.094 -0.190 0.000 1.114 265 V CA -0.788 61.452 62.300 -0.100 0.000 0.940 265 V CB 2.325 34.079 31.823 -0.115 0.000 1.021 265 V HN 0.083 nan 8.190 nan 0.000 0.426 266 I N 3.230 123.650 120.570 -0.250 0.000 2.406 266 I HA 0.395 4.565 4.170 -0.000 0.000 0.290 266 I C -0.132 175.617 176.117 -0.613 0.000 0.999 266 I CA -0.499 60.595 61.300 -0.343 0.000 1.124 266 I CB 1.928 39.763 38.000 -0.276 0.000 1.289 266 I HN 0.610 nan 8.210 nan 0.000 0.441 267 N N 6.996 125.235 118.700 -0.768 0.000 2.399 267 N HA 0.080 4.820 4.740 -0.000 0.000 0.259 267 N C -1.120 174.031 175.510 -0.599 0.000 1.160 267 N CA -0.275 52.064 53.050 -1.185 0.000 0.946 267 N CB 0.692 38.516 38.487 -1.104 0.000 1.156 267 N HN 0.382 nan 8.380 nan 0.000 0.489 268 L N 4.259 125.194 121.223 -0.480 0.000 2.268 268 L HA 0.365 4.704 4.340 -0.000 0.000 0.289 268 L C -0.290 176.534 176.870 -0.077 0.000 1.064 268 L CA -0.119 54.600 54.840 -0.202 0.000 0.824 268 L CB 0.103 42.076 42.059 -0.143 0.000 1.202 268 L HN 0.364 nan 8.230 nan 0.000 0.433 269 K N 4.425 124.789 120.400 -0.060 0.000 2.281 269 K HA 0.182 4.502 4.320 -0.000 0.000 0.272 269 K C 0.862 177.458 176.600 -0.007 0.000 1.048 269 K CA -0.372 55.906 56.287 -0.015 0.000 0.898 269 K CB 2.110 34.605 32.500 -0.008 0.000 1.128 269 K HN 0.551 nan 8.250 nan 0.000 0.460 270 V N 3.389 123.295 119.914 -0.012 0.000 2.324 270 V HA -0.320 3.800 4.120 -0.000 0.000 0.250 270 V C 1.818 177.851 176.094 -0.102 0.000 1.060 270 V CA 2.804 65.060 62.300 -0.073 0.000 1.042 270 V CB -0.183 31.543 31.823 -0.161 0.000 0.650 270 V HN 0.932 nan 8.190 nan 0.000 0.450 271 A N -0.354 122.415 122.820 -0.086 0.000 1.970 271 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 271 A C 2.385 179.961 177.584 -0.014 0.000 1.170 271 A CA 1.352 53.347 52.037 -0.070 0.000 0.645 271 A CB -0.651 18.308 19.000 -0.068 0.000 0.816 271 A HN 0.573 nan 8.150 nan 0.000 0.447 272 R N 0.288 120.798 120.500 0.017 0.000 2.105 272 R HA -0.136 4.203 4.340 -0.000 0.000 0.239 272 R C 1.666 177.987 176.300 0.035 0.000 1.135 272 R CA 2.077 58.212 56.100 0.059 0.000 0.967 272 R CB -0.292 30.068 30.300 0.101 0.000 0.861 272 R HN 0.533 nan 8.270 nan 0.000 0.442 273 V N -3.570 116.351 119.914 0.011 0.000 3.647 273 V HA 0.408 4.528 4.120 -0.000 0.000 0.279 273 V C 0.823 176.921 176.094 0.006 0.000 1.314 273 V CA 0.618 62.923 62.300 0.009 0.000 1.125 273 V CB 0.430 32.255 31.823 0.002 0.000 0.907 273 V HN 0.435 nan 8.190 nan 0.000 0.434 274 G N -1.550 107.248 108.800 -0.005 0.000 2.148 274 G HA2 0.337 4.297 3.960 -0.000 0.000 0.203 274 G HA3 0.337 4.297 3.960 -0.000 0.000 0.203 274 G C 0.915 175.803 174.900 -0.019 0.000 0.993 274 G CA -0.034 45.062 45.100 -0.007 0.000 0.661 274 G HN 2.236 nan 8.290 nan 0.000 0.518 275 G N -1.643 107.123 108.800 -0.057 0.000 2.318 275 G HA2 0.210 4.170 3.960 -0.000 0.000 0.367 275 G HA3 0.210 4.170 3.960 -0.000 0.000 0.367 275 G C 0.201 175.027 174.900 -0.123 0.000 1.260 275 G CA 0.462 45.498 45.100 -0.106 0.000 1.055 275 G HN 0.532 nan 8.290 nan 0.000 0.484 276 H N -0.058 119.009 119.070 -0.006 0.000 2.343 276 H HA 0.157 4.713 4.556 -0.000 0.000 0.303 276 H C 3.103 178.360 175.328 -0.119 0.000 1.068 276 H CA 2.232 58.162 56.048 -0.197 0.000 1.359 276 H CB -0.512 28.844 29.762 -0.675 0.000 1.402 276 H HN 0.713 nan 8.280 nan 0.000 0.515 277 A N 1.226 124.175 122.820 0.215 0.000 1.865 277 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 277 A C 2.357 180.021 177.584 0.134 0.000 1.191 277 A CA 2.105 54.286 52.037 0.240 0.000 0.623 277 A CB -0.438 18.793 19.000 0.384 0.000 0.826 277 A HN 0.367 nan 8.150 nan 0.000 0.444 278 E N 0.055 120.321 120.200 0.110 0.000 2.153 278 E HA -0.090 4.259 4.350 -0.000 0.000 0.194 278 E C 2.128 178.764 176.600 0.060 0.000 0.988 278 E CA 1.414 57.857 56.400 0.070 0.000 0.811 278 E CB -0.210 29.518 29.700 0.048 0.000 0.746 278 E HN 0.517 nan 8.360 nan 0.000 0.466 279 S N -0.173 115.560 115.700 0.056 0.000 2.368 279 S HA -0.085 4.385 4.470 -0.000 0.000 0.224 279 S C 1.840 176.502 174.600 0.103 0.000 1.029 279 S CA 0.852 59.096 58.200 0.072 0.000 0.988 279 S CB -0.234 63.014 63.200 0.079 0.000 0.838 279 S HN 0.256 nan 8.310 nan 0.000 0.462 280 R N 1.130 121.674 120.500 0.073 0.000 2.103 280 R HA -0.087 4.253 4.340 -0.000 0.000 0.242 280 R C 2.418 178.795 176.300 0.128 0.000 1.142 280 R CA 1.396 57.529 56.100 0.056 0.000 0.960 280 R CB -0.113 30.197 30.300 0.017 0.000 0.858 280 R HN 0.317 nan 8.270 nan 0.000 0.439 281 R N -0.532 120.030 120.500 0.103 0.000 2.081 281 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 281 R C 2.325 178.679 176.300 0.090 0.000 1.131 281 R CA 1.492 57.650 56.100 0.097 0.000 0.960 281 R CB -0.354 29.991 30.300 0.075 0.000 0.856 281 R HN 0.081 nan 8.270 nan 0.000 0.436 282 V N 0.978 120.934 119.914 0.071 0.000 2.287 282 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 282 V C 2.491 178.602 176.094 0.028 0.000 1.053 282 V CA 2.094 64.412 62.300 0.030 0.000 1.027 282 V CB -0.842 30.979 31.823 -0.004 0.000 0.646 282 V HN 0.485 nan 8.190 nan 0.000 0.447 283 H N 0.549 119.586 119.070 -0.056 0.000 2.352 283 H HA -0.195 4.361 4.556 -0.000 0.000 0.299 283 H C 1.944 177.251 175.328 -0.035 0.000 1.097 283 H CA 2.254 58.245 56.048 -0.096 0.000 1.311 283 H CB -0.133 29.601 29.762 -0.047 0.000 1.377 283 H HN 0.432 nan 8.280 nan 0.000 0.504 284 D N 0.165 120.661 120.400 0.160 0.000 2.194 284 D HA -0.069 4.571 4.640 -0.000 0.000 0.204 284 D C 2.563 178.884 176.300 0.035 0.000 0.964 284 D CA 0.680 54.733 54.000 0.089 0.000 0.846 284 D CB -0.147 40.746 40.800 0.154 0.000 0.962 284 D HN 0.249 nan 8.370 nan 0.000 0.490 285 V N 1.454 121.404 119.914 0.061 0.000 2.358 285 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 285 V C 2.523 178.715 176.094 0.163 0.000 1.047 285 V CA 1.709 64.079 62.300 0.116 0.000 1.035 285 V CB -0.717 31.172 31.823 0.110 0.000 0.658 285 V HN 0.170 nan 8.190 nan 0.000 0.452 286 A N -0.854 121.983 122.820 0.028 0.000 1.877 286 A HA -0.318 4.002 4.320 -0.000 0.000 0.216 286 A C 2.238 179.830 177.584 0.013 0.000 1.186 286 A CA 2.156 54.189 52.037 -0.007 0.000 0.620 286 A CB -0.622 18.299 19.000 -0.131 0.000 0.822 286 A HN 0.567 nan 8.150 nan 0.000 0.443 287 Q N 0.181 119.924 119.800 -0.095 0.000 2.112 287 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 287 Q C 2.262 178.252 176.000 -0.018 0.000 0.987 287 Q CA 2.362 58.107 55.803 -0.097 0.000 0.858 287 Q CB -0.224 28.407 28.738 -0.179 0.000 0.905 287 Q HN 0.822 nan 8.270 nan 0.000 0.420 288 S N -1.010 114.693 115.700 0.005 0.000 2.442 288 S HA -0.112 4.358 4.470 -0.000 0.000 0.236 288 S C 1.222 175.757 174.600 -0.109 0.000 1.007 288 S CA 0.750 58.922 58.200 -0.046 0.000 0.965 288 S CB -0.280 62.882 63.200 -0.064 0.000 0.773 288 S HN 0.406 nan 8.310 nan 0.000 0.504 289 F N 1.826 121.751 119.950 -0.043 0.000 2.693 289 F HA 0.414 4.941 4.527 -0.000 0.000 0.303 289 F C 1.789 177.570 175.800 -0.033 0.000 1.097 289 F CA 0.043 58.022 58.000 -0.034 0.000 1.330 289 F CB 0.116 39.093 39.000 -0.038 0.000 1.067 289 F HN 0.369 nan 8.300 nan 0.000 0.565 290 G N 1.144 110.004 108.800 0.100 0.000 2.225 290 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.267 290 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.267 290 G C 0.108 175.039 174.900 0.053 0.000 1.024 290 G CA 0.142 45.276 45.100 0.056 0.000 0.784 290 G HN 0.647 nan 8.290 nan 0.000 0.507 291 A N 0.594 123.444 122.820 0.049 0.000 2.304 291 A HA 0.869 5.188 4.320 -0.000 0.000 0.323 291 A C -1.594 175.961 177.584 -0.048 0.000 1.195 291 A CA -1.487 50.552 52.037 0.002 0.000 0.826 291 A CB 1.762 20.747 19.000 -0.025 0.000 1.184 291 A HN 0.199 nan 8.150 nan 0.000 0.496 292 P HA 0.366 nan 4.420 nan 0.000 0.277 292 P C -0.175 177.059 177.300 -0.110 0.000 1.240 292 P CA -0.062 63.008 63.100 -0.051 0.000 0.798 292 P CB 1.270 32.994 31.700 0.040 0.000 0.979 293 V N -0.600 119.184 119.914 -0.217 0.000 2.994 293 V HA 0.792 4.912 4.120 -0.000 0.000 0.318 293 V C -0.464 175.556 176.094 -0.123 0.000 1.085 293 V CA -0.853 61.253 62.300 -0.324 0.000 0.998 293 V CB 1.947 33.415 31.823 -0.592 0.000 1.063 293 V HN 0.777 nan 8.190 nan 0.000 0.447 294 W N 0.019 121.237 121.300 -0.137 0.000 3.029 294 W HA 0.658 5.318 4.660 -0.000 0.000 0.339 294 W C -1.201 175.478 176.519 0.266 0.000 1.198 294 W CA -1.387 56.037 57.345 0.131 0.000 1.148 294 W CB 1.203 30.741 29.460 0.130 0.000 1.451 294 W HN 0.841 nan 8.180 nan 0.000 0.564 295 C N 3.072 122.818 119.300 0.745 0.000 2.349 295 C HA 0.628 5.088 4.460 -0.000 0.000 0.348 295 C C 1.183 176.410 174.990 0.396 0.000 1.223 295 C CA 0.495 59.816 59.018 0.505 0.000 1.746 295 C CB -1.011 26.929 27.740 0.334 0.000 2.360 295 C HN 0.783 nan 8.230 nan 0.000 0.533 296 G N 4.167 113.026 108.800 0.098 0.000 2.599 296 G HA2 0.568 4.528 3.960 -0.000 0.000 0.264 296 G HA3 0.568 4.528 3.960 -0.000 0.000 0.264 296 G C 0.086 175.073 174.900 0.146 0.000 1.200 296 G CA 0.159 45.324 45.100 0.110 0.000 0.896 296 G HN 1.177 nan 8.290 nan 0.000 0.536 297 G N -1.095 107.794 108.800 0.148 0.000 2.533 297 G HA2 0.516 4.475 3.960 -0.000 0.000 0.304 297 G HA3 0.516 4.475 3.960 -0.000 0.000 0.304 297 G C -0.195 174.709 174.900 0.005 0.000 1.263 297 G CA -0.632 44.514 45.100 0.077 0.000 0.964 297 G HN 0.399 nan 8.290 nan 0.000 0.479 298 M N 1.793 121.369 119.600 -0.040 0.000 3.262 298 M HA 0.252 4.732 4.480 -0.000 0.000 0.450 298 M C 0.296 176.567 176.300 -0.048 0.000 1.524 298 M CA -0.059 55.200 55.300 -0.070 0.000 0.770 298 M CB -0.211 32.328 32.600 -0.102 0.000 1.459 298 M HN 0.586 nan 8.290 nan 0.000 0.517 299 L N 0.457 121.619 121.223 -0.102 0.000 3.608 299 L HA -0.258 4.081 4.340 -0.000 0.000 0.422 299 L C -0.370 176.536 176.870 0.060 0.000 1.260 299 L CA 0.565 55.328 54.840 -0.129 0.000 0.889 299 L CB -1.905 40.153 42.059 -0.001 0.000 1.821 299 L HN 0.374 nan 8.230 nan 0.000 0.884 300 E N 0.173 120.359 120.200 -0.024 0.000 2.343 300 E HA 0.465 4.815 4.350 -0.000 0.000 0.269 300 E C 0.714 177.430 176.600 0.194 0.000 1.047 300 E CA 0.239 56.680 56.400 0.068 0.000 0.874 300 E CB 0.969 30.677 29.700 0.013 0.000 1.033 300 E HN 0.349 nan 8.360 nan 0.000 0.409 301 S N 0.854 116.579 115.700 0.041 0.000 2.612 301 S HA 0.097 4.567 4.470 -0.000 0.000 0.253 301 S C 1.403 176.044 174.600 0.069 0.000 1.346 301 S CA -0.230 57.933 58.200 -0.061 0.000 0.976 301 S CB 0.749 63.806 63.200 -0.239 0.000 0.949 301 S HN 0.655 nan 8.310 nan 0.000 0.584 302 G N -0.158 108.683 108.800 0.069 0.000 2.509 302 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.218 302 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.218 302 G C 1.165 176.120 174.900 0.092 0.000 1.124 302 G CA 0.387 45.547 45.100 0.100 0.000 0.776 302 G HN 0.571 nan 8.290 nan 0.000 0.547 303 I N 1.875 122.493 120.570 0.080 0.000 2.090 303 I HA -0.066 4.104 4.170 -0.000 0.000 0.236 303 I C 3.009 179.266 176.117 0.233 0.000 1.064 303 I CA 1.540 62.919 61.300 0.133 0.000 1.324 303 I CB -1.493 36.567 38.000 0.099 0.000 1.044 303 I HN 0.213 nan 8.210 nan 0.000 0.399 304 G N 0.081 108.968 108.800 0.146 0.000 2.432 304 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.219 304 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.219 304 G C 1.917 176.901 174.900 0.140 0.000 1.135 304 G CA 0.676 45.851 45.100 0.125 0.000 0.767 304 G HN 0.310 nan 8.290 nan 0.000 0.550 305 R N 0.396 120.962 120.500 0.110 0.000 2.092 305 R HA 0.099 4.438 4.340 -0.000 0.000 0.231 305 R C 2.792 179.159 176.300 0.111 0.000 1.119 305 R CA 1.340 57.494 56.100 0.090 0.000 0.970 305 R CB -0.285 30.060 30.300 0.076 0.000 0.864 305 R HN 0.275 nan 8.270 nan 0.000 0.440 306 A N 0.143 123.040 122.820 0.129 0.000 1.930 306 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 306 A C 1.820 179.515 177.584 0.186 0.000 1.175 306 A CA 1.185 53.299 52.037 0.128 0.000 0.627 306 A CB -0.726 18.328 19.000 0.089 0.000 0.815 306 A HN 0.425 nan 8.150 nan 0.000 0.443 307 H N 0.042 119.197 119.070 0.142 0.000 2.387 307 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 307 H C 1.692 177.130 175.328 0.184 0.000 1.090 307 H CA 1.651 57.812 56.048 0.188 0.000 1.332 307 H CB -0.000 29.871 29.762 0.182 0.000 1.386 307 H HN 0.438 nan 8.280 nan 0.000 0.516 308 N N 0.749 119.582 118.700 0.222 0.000 2.188 308 N HA -0.086 4.654 4.740 -0.000 0.000 0.184 308 N C 2.164 177.679 175.510 0.009 0.000 1.018 308 N CA 0.554 53.665 53.050 0.102 0.000 0.858 308 N CB -0.303 38.230 38.487 0.076 0.000 0.989 308 N HN 0.356 nan 8.380 nan 0.000 0.426 309 I N 0.551 121.131 120.570 0.017 0.000 2.179 309 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 309 I C 2.180 178.192 176.117 -0.175 0.000 1.088 309 I CA 1.058 62.304 61.300 -0.089 0.000 1.357 309 I CB -0.287 37.656 38.000 -0.095 0.000 1.051 309 I HN 0.263 nan 8.210 nan 0.000 0.409 310 H N 0.032 119.031 119.070 -0.119 0.000 2.353 310 H HA -0.173 4.383 4.556 -0.000 0.000 0.300 310 H C 2.179 177.370 175.328 -0.228 0.000 1.090 310 H CA 1.668 57.614 56.048 -0.170 0.000 1.327 310 H CB -0.156 29.487 29.762 -0.198 0.000 1.383 310 H HN 0.214 nan 8.280 nan 0.000 0.508 311 L N 0.875 122.055 121.223 -0.073 0.000 2.083 311 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 311 L C 2.163 178.701 176.870 -0.554 0.000 1.083 311 L CA 1.395 56.131 54.840 -0.173 0.000 0.752 311 L CB -0.523 41.554 42.059 0.029 0.000 0.899 311 L HN -0.041 nan 8.230 nan 0.000 0.433 312 S N -1.154 114.126 115.700 -0.699 0.000 2.547 312 S HA -0.115 4.355 4.470 -0.000 0.000 0.235 312 S C 1.671 175.940 174.600 -0.551 0.000 0.980 312 S CA 1.100 58.636 58.200 -1.106 0.000 0.941 312 S CB -0.736 62.122 63.200 -0.571 0.000 0.763 312 S HN 0.794 nan 8.310 nan 0.000 0.532 313 T N -0.433 113.920 114.554 -0.334 0.000 3.118 313 T HA 0.177 4.527 4.350 -0.000 0.000 0.260 313 T C 0.519 175.142 174.700 -0.128 0.000 1.139 313 T CA -0.038 61.947 62.100 -0.190 0.000 1.085 313 T CB -0.329 68.440 68.868 -0.166 0.000 0.934 313 T HN -0.009 nan 8.240 nan 0.000 0.518 314 L N 2.902 124.075 121.223 -0.083 0.000 2.473 314 L HA 0.277 4.617 4.340 -0.000 0.000 0.268 314 L C 1.903 178.932 176.870 0.266 0.000 1.215 314 L CA 0.359 55.217 54.840 0.031 0.000 0.823 314 L CB 0.793 42.754 42.059 -0.163 0.000 1.099 314 L HN 0.356 nan 8.230 nan 0.000 0.483 315 S N 0.152 116.020 115.700 0.280 0.000 2.461 315 S HA -0.086 4.384 4.470 -0.000 0.000 0.228 315 S C 1.235 175.986 174.600 0.252 0.000 1.005 315 S CA 0.857 59.184 58.200 0.213 0.000 0.942 315 S CB -0.482 62.795 63.200 0.128 0.000 0.776 315 S HN 0.746 nan 8.310 nan 0.000 0.514 316 N N -0.258 118.652 118.700 0.350 0.000 2.461 316 N HA 0.104 4.844 4.740 -0.000 0.000 0.188 316 N C -0.948 174.566 175.510 0.005 0.000 1.134 316 N CA -0.161 52.862 53.050 -0.046 0.000 0.878 316 N CB -0.035 38.073 38.487 -0.633 0.000 0.972 316 N HN 0.355 nan 8.380 nan 0.000 0.456 317 F N 1.168 121.228 119.950 0.184 0.000 2.652 317 F HA 0.217 4.744 4.527 -0.000 0.000 0.352 317 F C 1.363 177.239 175.800 0.127 0.000 1.259 317 F CA -0.096 58.003 58.000 0.164 0.000 1.249 317 F CB 0.342 39.434 39.000 0.154 0.000 1.628 317 F HN -0.111 nan 8.300 nan 0.000 0.654 318 R N 1.106 121.730 120.500 0.207 0.000 2.334 318 R HA 0.308 4.648 4.340 -0.000 0.000 0.212 318 R C -0.151 176.242 176.300 0.156 0.000 0.897 318 R CA 0.125 56.316 56.100 0.151 0.000 1.056 318 R CB 0.494 30.851 30.300 0.095 0.000 1.046 318 R HN 0.383 nan 8.270 nan 0.000 0.513 319 L N 1.182 122.533 121.223 0.214 0.000 2.342 319 L HA 0.496 4.836 4.340 -0.000 0.000 0.271 319 L C -2.380 174.606 176.870 0.195 0.000 1.008 319 L CA -2.663 52.285 54.840 0.180 0.000 0.818 319 L CB 1.817 43.996 42.059 0.200 0.000 1.296 319 L HN -0.254 nan 8.230 nan 0.000 0.427 320 P HA 0.090 nan 4.420 nan 0.000 0.268 320 P C -0.198 177.151 177.300 0.082 0.000 1.205 320 P CA -0.073 63.073 63.100 0.077 0.000 0.771 320 P CB 0.636 32.342 31.700 0.010 0.000 0.858 321 G N 1.072 109.998 108.800 0.210 0.000 2.531 321 G HA2 0.191 4.151 3.960 -0.000 0.000 0.313 321 G HA3 0.191 4.151 3.960 -0.000 0.000 0.313 321 G C -0.059 174.978 174.900 0.229 0.000 1.238 321 G CA -0.414 44.904 45.100 0.362 0.000 0.994 321 G HN 0.305 nan 8.290 nan 0.000 0.493 322 D N -0.140 120.460 120.400 0.332 0.000 2.336 322 D HA 0.101 4.740 4.640 -0.000 0.000 0.228 322 D C 0.930 177.334 176.300 0.173 0.000 1.120 322 D CA 0.338 54.468 54.000 0.218 0.000 0.839 322 D CB 0.155 41.139 40.800 0.306 0.000 0.932 322 D HN 0.169 nan 8.370 nan 0.000 0.509 323 T N 0.736 115.394 114.554 0.173 0.000 4.313 323 T HA 0.135 4.485 4.350 -0.000 0.000 0.272 323 T C 0.937 175.746 174.700 0.181 0.000 1.298 323 T CA -0.370 61.820 62.100 0.149 0.000 1.124 323 T CB -0.251 68.688 68.868 0.118 0.000 1.352 323 T HN 0.055 nan 8.240 nan 0.000 1.013 324 S N 1.010 116.836 115.700 0.209 0.000 2.652 324 S HA 0.463 4.932 4.470 -0.000 0.000 0.267 324 S C 0.518 175.306 174.600 0.314 0.000 1.201 324 S CA -0.946 57.406 58.200 0.253 0.000 0.996 324 S CB 0.499 63.678 63.200 -0.034 0.000 1.054 324 S HN 0.313 nan 8.310 nan 0.000 0.561 325 S N 0.527 116.414 115.700 0.311 0.000 2.549 325 S HA 0.410 4.880 4.470 -0.000 0.000 0.283 325 S C 1.501 176.271 174.600 0.283 0.000 1.320 325 S CA -0.181 58.165 58.200 0.243 0.000 1.058 325 S CB 0.718 64.036 63.200 0.196 0.000 0.882 325 S HN 0.893 nan 8.310 nan 0.000 0.498 326 A N 3.177 126.146 122.820 0.247 0.000 1.902 326 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 326 A C 2.289 180.005 177.584 0.220 0.000 1.181 326 A CA 1.848 54.054 52.037 0.281 0.000 0.623 326 A CB -1.113 18.044 19.000 0.261 0.000 0.818 326 A HN 0.941 nan 8.150 nan 0.000 0.443 327 S N -0.384 115.407 115.700 0.152 0.000 2.493 327 S HA -0.150 4.320 4.470 -0.000 0.000 0.243 327 S C 1.768 176.383 174.600 0.026 0.000 0.991 327 S CA 1.116 59.371 58.200 0.093 0.000 0.957 327 S CB -0.510 62.732 63.200 0.070 0.000 0.756 327 S HN 0.607 nan 8.310 nan 0.000 0.521 328 R N -0.797 119.690 120.500 -0.021 0.000 2.148 328 R HA 0.036 4.376 4.340 -0.000 0.000 0.223 328 R C 1.307 177.453 176.300 -0.258 0.000 1.088 328 R CA 1.532 57.528 56.100 -0.173 0.000 0.985 328 R CB -0.200 29.863 30.300 -0.395 0.000 0.880 328 R HN 0.618 nan 8.270 nan 0.000 0.451 329 Y N -2.132 117.957 120.300 -0.351 0.000 2.506 329 Y HA 0.096 4.646 4.550 -0.000 0.000 0.287 329 Y C 0.405 175.783 175.900 -0.870 0.000 1.147 329 Y CA -0.085 57.459 58.100 -0.927 0.000 1.241 329 Y CB 0.307 37.700 38.460 -1.779 0.000 1.279 329 Y HN -0.052 nan 8.280 nan 0.000 0.527 330 W N 0.554 121.948 121.300 0.156 0.000 2.736 330 W HA 0.446 5.105 4.660 -0.000 0.000 0.335 330 W C 0.622 177.163 176.519 0.037 0.000 1.059 330 W CA -0.796 56.588 57.345 0.064 0.000 1.226 330 W CB 1.094 30.596 29.460 0.069 0.000 1.416 330 W HN -0.148 nan 8.180 nan 0.000 0.505 331 E N 0.854 121.199 120.200 0.240 0.000 2.152 331 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 331 E C 0.567 177.205 176.600 0.064 0.000 0.983 331 E CA 0.851 57.319 56.400 0.114 0.000 0.818 331 E CB 0.306 30.051 29.700 0.075 0.000 0.758 331 E HN 0.227 nan 8.360 nan 0.000 0.467 332 R N 0.905 121.449 120.500 0.074 0.000 2.515 332 R HA 0.102 4.441 4.340 -0.000 0.000 0.291 332 R C -1.563 174.744 176.300 0.011 0.000 1.046 332 R CA -0.467 55.559 56.100 -0.124 0.000 0.914 332 R CB 1.291 31.226 30.300 -0.609 0.000 1.191 332 R HN -0.101 nan 8.270 nan 0.000 0.435 333 D N 2.743 123.176 120.400 0.055 0.000 2.377 333 D HA 0.102 4.742 4.640 -0.000 0.000 0.245 333 D C 1.092 177.452 176.300 0.099 0.000 1.196 333 D CA -0.193 53.845 54.000 0.063 0.000 0.962 333 D CB 1.213 42.102 40.800 0.148 0.000 1.127 333 D HN 0.545 nan 8.370 nan 0.000 0.471 334 L N 1.253 122.510 121.223 0.056 0.000 2.554 334 L HA 0.132 4.471 4.340 -0.000 0.000 0.226 334 L C 0.932 177.858 176.870 0.093 0.000 1.137 334 L CA 0.191 55.101 54.840 0.116 0.000 0.863 334 L CB -0.446 41.596 42.059 -0.028 0.000 0.985 334 L HN 0.322 nan 8.230 nan 0.000 0.451 335 I N -4.746 115.865 120.570 0.069 0.000 2.863 335 I HA 0.239 4.409 4.170 -0.000 0.000 0.311 335 I C 0.716 176.864 176.117 0.050 0.000 1.026 335 I CA -0.803 60.531 61.300 0.057 0.000 1.077 335 I CB 1.264 39.294 38.000 0.050 0.000 1.262 335 I HN -0.106 nan 8.210 nan 0.000 0.461 336 Q N 0.802 120.625 119.800 0.040 0.000 2.187 336 Q HA 0.008 4.348 4.340 -0.000 0.000 0.199 336 Q C -0.286 175.728 176.000 0.023 0.000 0.957 336 Q CA 1.041 56.860 55.803 0.027 0.000 0.857 336 Q CB -0.019 28.733 28.738 0.023 0.000 0.929 336 Q HN 0.645 nan 8.270 nan 0.000 0.453 337 E N 1.907 122.125 120.200 0.030 0.000 2.331 337 E HA 0.134 4.484 4.350 -0.000 0.000 0.272 337 E C -2.315 174.310 176.600 0.041 0.000 1.036 337 E CA -1.918 54.500 56.400 0.030 0.000 0.864 337 E CB 0.376 30.094 29.700 0.029 0.000 1.035 337 E HN 0.043 nan 8.360 nan 0.000 0.408 338 P HA 0.164 nan 4.420 nan 0.000 0.278 338 P C -0.853 176.480 177.300 0.055 0.000 1.238 338 P CA -0.231 62.899 63.100 0.050 0.000 0.794 338 P CB 0.719 32.440 31.700 0.035 0.000 0.955 339 L N 2.773 124.042 121.223 0.077 0.000 2.433 339 L HA 0.364 4.703 4.340 -0.000 0.000 0.256 339 L C 0.091 177.014 176.870 0.087 0.000 1.063 339 L CA -0.231 54.654 54.840 0.074 0.000 0.922 339 L CB 1.045 43.157 42.059 0.089 0.000 1.238 339 L HN 0.196 nan 8.230 nan 0.000 0.466 340 E N 2.249 122.486 120.200 0.061 0.000 2.199 340 E HA 0.636 4.986 4.350 -0.000 0.000 0.265 340 E C -0.651 175.969 176.600 0.033 0.000 0.882 340 E CA -0.461 55.975 56.400 0.060 0.000 0.759 340 E CB 2.782 32.505 29.700 0.039 0.000 1.148 340 E HN 0.469 nan 8.360 nan 0.000 0.412 341 A N 2.158 125.001 122.820 0.040 0.000 2.293 341 A HA 0.665 4.985 4.320 -0.000 0.000 0.302 341 A C -0.454 177.072 177.584 -0.097 0.000 1.119 341 A CA -0.536 51.491 52.037 -0.017 0.000 0.823 341 A CB 0.959 19.968 19.000 0.016 0.000 1.097 341 A HN 0.329 nan 8.150 nan 0.000 0.491 342 V N 1.672 121.515 119.914 -0.119 0.000 2.623 342 V HA 0.419 4.539 4.120 -0.000 0.000 0.304 342 V C -0.164 175.832 176.094 -0.164 0.000 1.054 342 V CA 0.504 62.717 62.300 -0.146 0.000 0.882 342 V CB 1.460 33.230 31.823 -0.087 0.000 1.002 342 V HN 1.210 nan 8.190 nan 0.000 0.424 343 D N 4.162 124.433 120.400 -0.214 0.000 2.870 343 D HA -0.160 4.480 4.640 -0.000 0.000 0.228 343 D C 1.145 177.340 176.300 -0.175 0.000 1.147 343 D CA 2.028 55.922 54.000 -0.176 0.000 0.757 343 D CB -1.067 39.671 40.800 -0.103 0.000 1.091 343 D HN 1.701 nan 8.370 nan 0.000 0.429 344 G N -1.309 107.326 108.800 -0.275 0.000 2.155 344 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.257 344 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.257 344 G C 0.235 175.101 174.900 -0.057 0.000 0.983 344 G CA 0.496 45.504 45.100 -0.153 0.000 0.676 344 G HN 0.614 nan 8.290 nan 0.000 0.528 345 L N -0.343 120.837 121.223 -0.072 0.000 2.333 345 L HA 0.753 5.093 4.340 -0.000 0.000 0.280 345 L C 0.093 176.947 176.870 -0.027 0.000 1.004 345 L CA -1.026 53.794 54.840 -0.034 0.000 0.820 345 L CB 1.860 43.897 42.059 -0.036 0.000 1.247 345 L HN 0.183 nan 8.230 nan 0.000 0.416 346 M N 7.339 126.935 119.600 -0.007 0.000 2.167 346 M HA 0.533 5.013 4.480 -0.000 0.000 0.333 346 M C -2.576 173.706 176.300 -0.030 0.000 1.030 346 M CA -1.936 53.362 55.300 -0.003 0.000 0.963 346 M CB 1.627 34.243 32.600 0.027 0.000 1.589 346 M HN 0.101 nan 8.290 nan 0.000 0.431 347 P HA 0.146 nan 4.420 nan 0.000 0.278 347 P C -0.944 176.306 177.300 -0.083 0.000 1.238 347 P CA -0.372 62.697 63.100 -0.052 0.000 0.794 347 P CB 0.765 32.443 31.700 -0.037 0.000 0.955 348 V N 5.029 124.868 119.914 -0.124 0.000 2.479 348 V HA 0.094 4.214 4.120 -0.000 0.000 0.281 348 V C -1.493 174.513 176.094 -0.146 0.000 1.031 348 V CA -1.095 61.074 62.300 -0.218 0.000 1.038 348 V CB -0.117 31.541 31.823 -0.275 0.000 0.981 348 V HN 0.600 nan 8.190 nan 0.000 0.478 349 P HA 0.114 nan 4.420 nan 0.000 0.267 349 P C -0.443 176.868 177.300 0.019 0.000 1.209 349 P CA -0.081 63.008 63.100 -0.019 0.000 0.763 349 P CB 0.558 32.275 31.700 0.029 0.000 0.816 350 Q N 1.285 121.092 119.800 0.013 0.000 2.354 350 Q HA 0.551 4.891 4.340 -0.000 0.000 0.244 350 Q C 0.738 176.755 176.000 0.029 0.000 0.969 350 Q CA 0.208 56.023 55.803 0.020 0.000 0.885 350 Q CB 0.808 29.549 28.738 0.005 0.000 1.241 350 Q HN 0.820 nan 8.270 nan 0.000 0.461 351 G N 1.430 110.244 108.800 0.024 0.000 2.355 351 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.619 351 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.619 351 G C -3.039 171.855 174.900 -0.010 0.000 1.337 351 G CA -1.206 43.896 45.100 0.003 0.000 0.993 351 G HN 0.471 nan 8.290 nan 0.000 0.599 352 P HA 0.466 nan 4.420 nan 0.000 0.274 352 P C 1.319 178.549 177.300 -0.117 0.000 1.231 352 P CA 1.572 64.627 63.100 -0.075 0.000 0.790 352 P CB 0.897 32.549 31.700 -0.080 0.000 0.951 353 G N 2.247 110.948 108.800 -0.166 0.000 2.622 353 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.307 353 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.307 353 G C 1.141 175.751 174.900 -0.483 0.000 1.226 353 G CA 1.423 46.372 45.100 -0.252 0.000 0.997 353 G HN 0.699 nan 8.290 nan 0.000 0.551 354 T N -0.733 113.558 114.554 -0.439 0.000 2.962 354 T HA 0.320 4.670 4.350 -0.000 0.000 0.270 354 T C 2.757 177.418 174.700 -0.066 0.000 1.088 354 T CA 1.893 63.719 62.100 -0.456 0.000 1.127 354 T CB -0.416 68.234 68.868 -0.362 0.000 0.883 354 T HN 2.773 nan 8.240 nan 0.000 0.493 355 G N 0.823 109.593 108.800 -0.050 0.000 2.155 355 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.257 355 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.257 355 G C 0.210 175.126 174.900 0.027 0.000 0.983 355 G CA 0.566 45.687 45.100 0.036 0.000 0.676 355 G HN 1.576 nan 8.290 nan 0.000 0.528 356 V N -3.719 116.198 119.914 0.004 0.000 3.113 356 V HA 1.015 5.135 4.120 -0.000 0.000 0.316 356 V C -0.115 175.983 176.094 0.005 0.000 1.125 356 V CA -0.202 62.106 62.300 0.014 0.000 1.026 356 V CB 2.242 34.083 31.823 0.029 0.000 1.080 356 V HN 0.614 nan 8.190 nan 0.000 0.444 357 T N 2.823 117.387 114.554 0.017 0.000 2.991 357 T HA 0.522 4.871 4.350 -0.000 0.000 0.303 357 T C -0.458 174.258 174.700 0.027 0.000 1.015 357 T CA -0.439 61.671 62.100 0.017 0.000 1.007 357 T CB 1.222 70.099 68.868 0.016 0.000 1.034 357 T HN 0.784 nan 8.240 nan 0.000 0.446 358 L N 2.829 124.068 121.223 0.027 0.000 2.540 358 L HA 0.091 4.431 4.340 -0.000 0.000 0.276 358 L C 0.672 177.569 176.870 0.045 0.000 1.212 358 L CA -0.030 54.830 54.840 0.034 0.000 0.893 358 L CB 0.258 42.331 42.059 0.025 0.000 1.138 358 L HN 0.654 nan 8.230 nan 0.000 0.491 359 D N 3.749 124.190 120.400 0.068 0.000 2.453 359 D HA 0.050 4.689 4.640 -0.000 0.000 0.223 359 D C 1.107 177.461 176.300 0.090 0.000 1.183 359 D CA -0.249 53.805 54.000 0.090 0.000 0.933 359 D CB 0.637 41.518 40.800 0.134 0.000 1.038 359 D HN 0.294 nan 8.370 nan 0.000 0.513 360 R N 2.587 123.120 120.500 0.056 0.000 2.075 360 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 360 R C 1.682 177.999 176.300 0.029 0.000 1.126 360 R CA 0.798 56.917 56.100 0.032 0.000 0.963 360 R CB -0.263 30.052 30.300 0.026 0.000 0.858 360 R HN 0.585 nan 8.270 nan 0.000 0.435 361 E N -0.168 120.065 120.200 0.055 0.000 2.023 361 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 361 E C 1.791 178.443 176.600 0.087 0.000 1.003 361 E CA 1.518 57.955 56.400 0.062 0.000 0.809 361 E CB -0.265 29.481 29.700 0.077 0.000 0.755 361 E HN 0.274 nan 8.360 nan 0.000 0.449 362 F N 0.518 120.461 119.950 -0.011 0.000 2.171 362 F HA -0.204 4.322 4.527 -0.000 0.000 0.300 362 F C 2.069 177.853 175.800 -0.027 0.000 1.090 362 F CA 0.989 58.979 58.000 -0.017 0.000 1.293 362 F CB -0.054 38.935 39.000 -0.019 0.000 1.013 362 F HN 0.144 nan 8.300 nan 0.000 0.486 363 L N 1.138 122.248 121.223 -0.188 0.000 2.046 363 L HA -0.098 4.241 4.340 -0.000 0.000 0.208 363 L C 2.496 179.209 176.870 -0.262 0.000 1.077 363 L CA 2.017 56.686 54.840 -0.284 0.000 0.747 363 L CB -1.312 40.679 42.059 -0.112 0.000 0.896 363 L HN 0.150 nan 8.230 nan 0.000 0.432 364 A N -0.748 121.980 122.820 -0.152 0.000 1.927 364 A HA -0.318 4.002 4.320 -0.000 0.000 0.220 364 A C 2.380 179.877 177.584 -0.145 0.000 1.185 364 A CA 2.820 54.788 52.037 -0.114 0.000 0.639 364 A CB -1.603 17.363 19.000 -0.056 0.000 0.820 364 A HN 0.678 nan 8.150 nan 0.000 0.451 365 T N -2.296 112.142 114.554 -0.193 0.000 2.995 365 T HA 0.026 4.375 4.350 -0.000 0.000 0.269 365 T C 1.147 175.714 174.700 -0.221 0.000 1.091 365 T CA 1.449 63.449 62.100 -0.167 0.000 1.128 365 T CB -0.495 68.313 68.868 -0.100 0.000 0.891 365 T HN 0.904 nan 8.240 nan 0.000 0.492 366 V N -2.157 117.548 119.914 -0.348 0.000 3.276 366 V HA 0.384 4.504 4.120 -0.000 0.000 0.319 366 V C 0.401 176.374 176.094 -0.203 0.000 1.427 366 V CA -0.674 61.452 62.300 -0.291 0.000 1.102 366 V CB -0.600 30.965 31.823 -0.430 0.000 1.020 366 V HN 0.198 nan 8.190 nan 0.000 0.456 367 T N 3.145 117.596 114.554 -0.172 0.000 2.814 367 T HA 0.246 4.596 4.350 -0.000 0.000 0.297 367 T C 1.094 175.744 174.700 -0.082 0.000 0.956 367 T CA 0.668 62.697 62.100 -0.118 0.000 1.123 367 T CB 1.186 69.994 68.868 -0.100 0.000 0.902 367 T HN 0.826 nan 8.240 nan 0.000 0.528 368 E N 1.934 122.094 120.200 -0.066 0.000 2.473 368 E HA 0.451 4.801 4.350 -0.000 0.000 0.204 368 E C 0.319 176.896 176.600 -0.039 0.000 0.994 368 E CA -0.421 55.951 56.400 -0.047 0.000 0.945 368 E CB 0.590 30.267 29.700 -0.039 0.000 0.990 368 E HN 0.513 nan 8.360 nan 0.000 0.493 369 A N 1.340 124.136 122.820 -0.040 0.000 2.574 369 A HA 0.531 4.851 4.320 -0.000 0.000 0.297 369 A C -1.597 175.970 177.584 -0.029 0.000 1.062 369 A CA -0.679 51.340 52.037 -0.030 0.000 0.686 369 A CB 1.757 20.744 19.000 -0.023 0.000 1.285 369 A HN 0.215 nan 8.150 nan 0.000 0.403 370 Q N 0.901 120.686 119.800 -0.027 0.000 2.352 370 Q HA 0.647 4.987 4.340 -0.000 0.000 0.270 370 Q C -1.378 174.601 176.000 -0.036 0.000 1.006 370 Q CA -0.526 55.262 55.803 -0.025 0.000 0.880 370 Q CB 1.637 30.358 28.738 -0.029 0.000 1.392 370 Q HN 0.884 nan 8.270 nan 0.000 0.401 371 E N 1.689 121.864 120.200 -0.042 0.000 2.390 371 E HA 0.541 4.891 4.350 -0.000 0.000 0.277 371 E C -1.352 175.152 176.600 -0.160 0.000 0.939 371 E CA -1.025 55.304 56.400 -0.118 0.000 0.769 371 E CB 2.449 32.076 29.700 -0.122 0.000 1.251 371 E HN 0.629 nan 8.360 nan 0.000 0.450 372 E N 1.125 121.160 120.200 -0.276 0.000 2.222 372 E HA 0.300 4.649 4.350 -0.000 0.000 0.267 372 E C -1.337 175.030 176.600 -0.388 0.000 0.884 372 E CA -0.776 55.502 56.400 -0.204 0.000 0.764 372 E CB 1.356 31.002 29.700 -0.089 0.000 1.169 372 E HN 0.484 nan 8.360 nan 0.000 0.413 373 H N 2.914 122.007 119.070 0.038 0.000 2.600 373 H HA 0.487 5.043 4.556 -0.000 0.000 0.357 373 H C -0.373 174.982 175.328 0.045 0.000 1.106 373 H CA -0.598 55.471 56.048 0.036 0.000 1.193 373 H CB 1.722 31.505 29.762 0.036 0.000 1.594 373 H HN 0.400 nan 8.280 nan 0.000 0.526 374 R N 0.445 121.031 120.500 0.143 0.000 2.912 374 R HA 0.624 4.964 4.340 -0.000 0.000 0.262 374 R C -0.029 176.324 176.300 0.089 0.000 1.057 374 R CA -0.801 55.356 56.100 0.095 0.000 0.981 374 R CB 2.023 32.354 30.300 0.051 0.000 1.201 374 R HN 0.707 nan 8.270 nan 0.000 0.484 375 A N 0.000 122.862 122.820 0.071 0.000 2.254 375 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 375 A CA 0.000 52.073 52.037 0.060 0.000 0.836 375 A CB 0.000 19.026 19.000 0.044 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486