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 2d3z_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AAcRAAKLQD cTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.574 174.600 -0.044 0.000 1.055 1 S CA 0.000 58.181 58.200 -0.031 0.000 1.107 1 S CB 0.000 63.179 63.200 -0.035 0.000 0.593 2 M N 3.565 123.133 119.600 -0.053 0.000 2.217 2 M HA 0.238 4.718 4.480 -0.000 0.000 0.354 2 M C 1.947 178.141 176.300 -0.176 0.000 1.225 2 M CA 0.040 55.295 55.300 -0.075 0.000 1.137 2 M CB 0.661 33.236 32.600 -0.042 0.000 1.576 2 M HN 0.816 nan 8.290 nan 0.000 0.461 3 S N 2.688 118.216 115.700 -0.286 0.000 2.400 3 S HA -0.106 4.364 4.470 -0.000 0.000 0.232 3 S C 0.086 174.270 174.600 -0.692 0.000 1.025 3 S CA 1.033 58.932 58.200 -0.502 0.000 0.993 3 S CB -0.202 62.604 63.200 -0.655 0.000 0.808 3 S HN 0.648 nan 8.310 nan 0.000 0.478 4 Y N 0.468 120.594 120.300 -0.291 0.000 2.597 4 Y HA 0.539 5.089 4.550 -0.001 0.000 0.340 4 Y C -0.376 175.198 175.900 -0.544 0.000 1.097 4 Y CA -0.948 56.841 58.100 -0.518 0.000 1.037 4 Y CB 1.949 39.918 38.460 -0.817 0.000 1.305 4 Y HN 0.106 nan 8.280 nan 0.000 0.463 5 T N -2.101 112.168 114.554 -0.475 0.000 2.879 5 T HA 0.625 4.974 4.350 -0.000 0.000 0.290 5 T C -1.346 173.091 174.700 -0.438 0.000 0.993 5 T CA -0.786 61.127 62.100 -0.311 0.000 0.975 5 T CB 0.724 69.528 68.868 -0.106 0.000 0.981 5 T HN 0.508 nan 8.240 nan 0.000 0.439 6 W N 1.472 122.824 121.300 0.086 0.000 2.627 6 W HA 0.501 5.160 4.660 -0.001 0.000 0.339 6 W C 1.563 178.109 176.519 0.044 0.000 1.058 6 W CA -0.738 56.640 57.345 0.056 0.000 1.223 6 W CB 1.808 31.283 29.460 0.026 0.000 1.389 6 W HN 0.868 nan 8.180 nan 0.000 0.541 7 T N -2.448 112.280 114.554 0.290 0.000 3.044 7 T HA 0.324 4.674 4.350 -0.000 0.000 0.255 7 T C 1.406 176.190 174.700 0.140 0.000 1.073 7 T CA 0.918 63.118 62.100 0.167 0.000 1.125 7 T CB 0.022 68.966 68.868 0.127 0.000 0.908 7 T HN 1.119 nan 8.240 nan 0.000 0.480 8 G N 1.233 110.125 108.800 0.154 0.000 2.316 8 G HA2 0.084 4.044 3.960 -0.000 0.000 0.203 8 G HA3 0.084 4.044 3.960 -0.000 0.000 0.203 8 G C 0.385 175.313 174.900 0.047 0.000 0.999 8 G CA -0.154 44.993 45.100 0.079 0.000 0.649 8 G HN 1.051 nan 8.290 nan 0.000 0.489 9 A N 1.063 123.925 122.820 0.069 0.000 2.498 9 A HA 0.616 4.936 4.320 -0.000 0.000 0.239 9 A C 0.777 178.373 177.584 0.019 0.000 1.068 9 A CA 0.344 52.408 52.037 0.046 0.000 0.766 9 A CB 0.144 19.181 19.000 0.061 0.000 1.003 9 A HN 0.857 nan 8.150 nan 0.000 0.497 10 L N 1.615 122.835 121.223 -0.005 0.000 2.439 10 L HA 0.328 4.667 4.340 -0.000 0.000 0.261 10 L C 0.101 176.955 176.870 -0.027 0.000 1.153 10 L CA -0.387 54.431 54.840 -0.037 0.000 0.808 10 L CB 0.767 42.806 42.059 -0.033 0.000 1.126 10 L HN 0.562 nan 8.230 nan 0.000 0.460 11 I N 1.406 121.942 120.570 -0.056 0.000 2.322 11 I HA 0.097 4.267 4.170 -0.000 0.000 0.292 11 I C 0.404 176.514 176.117 -0.012 0.000 1.060 11 I CA -0.107 61.175 61.300 -0.030 0.000 1.309 11 I CB 0.907 38.872 38.000 -0.059 0.000 1.415 11 I HN 0.651 nan 8.210 nan 0.000 0.492 12 T N 5.099 119.657 114.554 0.006 0.000 2.928 12 T HA 0.569 4.919 4.350 -0.000 0.000 0.284 12 T C -2.450 172.265 174.700 0.025 0.000 1.008 12 T CA -1.952 60.155 62.100 0.012 0.000 1.057 12 T CB 1.727 70.602 68.868 0.011 0.000 1.018 12 T HN 0.284 nan 8.240 nan 0.000 0.493 13 P HA 0.319 nan 4.420 nan 0.000 0.282 13 P C -0.050 177.271 177.300 0.035 0.000 1.259 13 P CA -0.729 62.392 63.100 0.035 0.000 0.826 13 P CB 1.295 33.015 31.700 0.034 0.000 1.064 14 C N 1.087 120.412 119.300 0.041 0.000 2.697 14 C HA 0.621 5.081 4.460 -0.000 0.000 0.267 14 C C 0.774 175.783 174.990 0.032 0.000 1.278 14 C CA 0.766 59.806 59.018 0.037 0.000 1.708 14 C CB -1.796 25.971 27.740 0.046 0.000 1.860 14 C HN 0.749 nan 8.230 nan 0.000 0.589 15 A N -0.891 121.950 122.820 0.035 0.000 2.452 15 A HA 0.621 4.941 4.320 -0.000 0.000 0.294 15 A C -0.713 176.897 177.584 0.043 0.000 1.010 15 A CA 0.062 52.121 52.037 0.036 0.000 0.613 15 A CB -0.584 18.439 19.000 0.039 0.000 1.363 15 A HN 0.863 nan 8.150 nan 0.000 0.463 16 A N 0.058 122.905 122.820 0.045 0.000 2.531 16 A HA 0.503 4.822 4.320 -0.000 0.000 0.236 16 A C 0.083 177.708 177.584 0.069 0.000 1.062 16 A CA 0.747 52.815 52.037 0.052 0.000 0.760 16 A CB -0.307 18.724 19.000 0.050 0.000 0.995 16 A HN 0.620 nan 8.150 nan 0.000 0.501 17 E N 1.275 121.521 120.200 0.076 0.000 2.187 17 E HA 0.319 4.669 4.350 -0.000 0.000 0.268 17 E C -0.981 175.699 176.600 0.134 0.000 0.896 17 E CA -0.451 56.008 56.400 0.098 0.000 0.766 17 E CB 1.746 31.494 29.700 0.079 0.000 1.142 17 E HN 0.737 nan 8.360 nan 0.000 0.408 18 E N 1.202 121.522 120.200 0.201 0.000 2.200 18 E HA 0.102 4.452 4.350 -0.000 0.000 0.283 18 E C 0.240 177.055 176.600 0.357 0.000 1.015 18 E CA -0.098 56.469 56.400 0.278 0.000 0.819 18 E CB 1.221 31.143 29.700 0.370 0.000 1.081 18 E HN 0.570 nan 8.360 nan 0.000 0.397 19 S N 2.940 118.821 115.700 0.302 0.000 2.545 19 S HA -0.014 4.455 4.470 -0.000 0.000 0.232 19 S C 0.697 175.543 174.600 0.410 0.000 1.070 19 S CA -0.245 58.143 58.200 0.314 0.000 0.923 19 S CB 0.019 63.346 63.200 0.213 0.000 0.806 19 S HN 0.411 nan 8.310 nan 0.000 0.506 20 K N 1.943 122.523 120.400 0.301 0.000 2.218 20 K HA 0.379 4.699 4.320 -0.000 0.000 0.276 20 K C -0.445 176.242 176.600 0.146 0.000 1.022 20 K CA -0.788 55.639 56.287 0.232 0.000 0.946 20 K CB 0.811 33.384 32.500 0.121 0.000 1.000 20 K HN 0.231 nan 8.250 nan 0.000 0.468 21 L N 3.696 124.990 121.223 0.118 0.000 2.534 21 L HA 0.121 4.461 4.340 -0.000 0.000 0.271 21 L C -2.415 174.222 176.870 -0.390 0.000 1.178 21 L CA -1.044 53.690 54.840 -0.177 0.000 0.907 21 L CB -0.185 41.892 42.059 0.030 0.000 1.164 21 L HN 0.541 nan 8.230 nan 0.000 0.482 22 P HA 0.207 nan 4.420 nan 0.000 0.271 22 P C -0.990 176.081 177.300 -0.382 0.000 1.216 22 P CA 0.012 62.815 63.100 -0.495 0.000 0.776 22 P CB 0.581 31.911 31.700 -0.618 0.000 0.881 23 I N 3.245 123.651 120.570 -0.272 0.000 2.433 23 I HA 0.388 4.558 4.170 -0.000 0.000 0.292 23 I C 0.389 176.406 176.117 -0.168 0.000 1.001 23 I CA -0.683 60.459 61.300 -0.263 0.000 1.119 23 I CB 1.476 39.320 38.000 -0.261 0.000 1.289 23 I HN 0.471 nan 8.210 nan 0.000 0.438 24 N N 4.120 122.734 118.700 -0.144 0.000 3.167 24 N HA 0.447 5.187 4.740 -0.000 0.000 0.323 24 N C 0.383 175.856 175.510 -0.061 0.000 1.478 24 N CA -0.461 52.536 53.050 -0.087 0.000 0.753 24 N CB 0.649 39.090 38.487 -0.078 0.000 1.721 24 N HN 0.391 nan 8.380 nan 0.000 0.618 25 A N -0.631 122.165 122.820 -0.041 0.000 2.172 25 A HA 0.113 4.433 4.320 -0.000 0.000 0.216 25 A C 1.633 179.204 177.584 -0.022 0.000 1.154 25 A CA 0.875 52.896 52.037 -0.027 0.000 0.701 25 A CB -0.911 18.075 19.000 -0.023 0.000 0.789 25 A HN 0.544 nan 8.150 nan 0.000 0.465 26 L N -1.492 119.714 121.223 -0.027 0.000 2.590 26 L HA 0.046 4.386 4.340 -0.000 0.000 0.227 26 L C 2.381 179.279 176.870 0.046 0.000 1.099 26 L CA 0.388 55.227 54.840 -0.003 0.000 0.872 26 L CB -0.130 41.903 42.059 -0.043 0.000 1.088 26 L HN 0.204 nan 8.230 nan 0.000 0.479 27 S N 0.808 116.505 115.700 -0.005 0.000 2.359 27 S HA -0.190 4.280 4.470 -0.000 0.000 0.223 27 S C 1.715 176.364 174.600 0.083 0.000 1.039 27 S CA 1.702 59.890 58.200 -0.020 0.000 1.042 27 S CB -0.324 62.756 63.200 -0.199 0.000 0.915 27 S HN 0.475 nan 8.310 nan 0.000 0.439 28 N N 1.480 120.255 118.700 0.124 0.000 2.272 28 N HA -0.077 4.663 4.740 -0.000 0.000 0.185 28 N C 1.893 177.433 175.510 0.050 0.000 1.014 28 N CA 1.317 54.452 53.050 0.142 0.000 0.870 28 N CB -0.512 38.034 38.487 0.098 0.000 0.975 28 N HN 0.608 nan 8.380 nan 0.000 0.433 29 S N -0.087 115.636 115.700 0.039 0.000 2.447 29 S HA -0.063 4.407 4.470 -0.000 0.000 0.233 29 S C 1.843 176.449 174.600 0.009 0.000 1.006 29 S CA 0.451 58.646 58.200 -0.008 0.000 0.957 29 S CB -0.168 63.053 63.200 0.037 0.000 0.773 29 S HN 0.216 nan 8.310 nan 0.000 0.507 30 L N 0.951 122.199 121.223 0.042 0.000 2.269 30 L HA 0.557 4.897 4.340 -0.000 0.000 0.200 30 L C 0.186 177.109 176.870 0.089 0.000 1.069 30 L CA 0.816 55.668 54.840 0.021 0.000 0.804 30 L CB -0.004 41.872 42.059 -0.306 0.000 0.987 30 L HN 0.635 nan 8.230 nan 0.000 0.468 31 L N -4.023 117.243 121.223 0.072 0.000 2.582 31 L HA 0.486 4.826 4.340 -0.000 0.000 0.257 31 L C -0.066 176.838 176.870 0.057 0.000 0.974 31 L CA -0.814 54.056 54.840 0.050 0.000 0.851 31 L CB 1.807 43.910 42.059 0.072 0.000 1.424 31 L HN -0.112 nan 8.230 nan 0.000 0.412 32 R N -0.759 119.660 120.500 -0.135 0.000 2.225 32 R HA 0.227 4.567 4.340 -0.000 0.000 0.194 32 R C 0.080 176.188 176.300 -0.319 0.000 0.957 32 R CA 0.164 56.105 56.100 -0.265 0.000 1.042 32 R CB 0.155 30.334 30.300 -0.201 0.000 1.004 32 R HN 0.692 nan 8.270 nan 0.000 0.509 33 H N 0.721 119.705 119.070 -0.142 0.000 2.799 33 H HA 0.098 4.654 4.556 -0.001 0.000 0.225 33 H C 0.425 175.772 175.328 0.031 0.000 1.904 33 H CA -0.331 55.667 56.048 -0.084 0.000 1.344 33 H CB -0.071 29.685 29.762 -0.010 0.000 1.744 33 H HN 0.352 nan 8.280 nan 0.000 0.542 34 H N 0.629 119.791 119.070 0.152 0.000 2.390 34 H HA -0.151 4.405 4.556 -0.000 0.000 0.298 34 H C 1.520 176.924 175.328 0.127 0.000 1.106 34 H CA 0.586 56.701 56.048 0.111 0.000 1.297 34 H CB 0.295 30.098 29.762 0.068 0.000 1.375 34 H HN 0.517 nan 8.280 nan 0.000 0.509 35 N N 0.361 119.191 118.700 0.217 0.000 2.519 35 N HA -0.096 4.644 4.740 -0.000 0.000 0.186 35 N C 1.334 176.948 175.510 0.174 0.000 1.062 35 N CA 0.709 53.856 53.050 0.162 0.000 0.910 35 N CB 0.060 38.601 38.487 0.090 0.000 0.958 35 N HN 0.430 nan 8.380 nan 0.000 0.445 36 M N 0.037 119.756 119.600 0.199 0.000 2.447 36 M HA 0.088 4.568 4.480 -0.000 0.000 0.264 36 M C 0.306 176.778 176.300 0.288 0.000 1.095 36 M CA 0.330 55.755 55.300 0.209 0.000 1.125 36 M CB -0.098 32.618 32.600 0.195 0.000 1.389 36 M HN -0.258 nan 8.290 nan 0.000 0.459 37 V N 1.361 121.451 119.914 0.294 0.000 2.481 37 V HA 0.341 4.461 4.120 -0.000 0.000 0.286 37 V C -0.634 175.708 176.094 0.414 0.000 1.042 37 V CA -0.706 61.779 62.300 0.308 0.000 0.928 37 V CB 0.971 32.949 31.823 0.257 0.000 0.986 37 V HN 0.411 nan 8.190 nan 0.000 0.462 38 Y N 2.102 122.544 120.300 0.237 0.000 2.638 38 Y HA 0.893 5.443 4.550 -0.001 0.000 0.335 38 Y C -0.576 175.395 175.900 0.117 0.000 1.155 38 Y CA -1.494 56.749 58.100 0.239 0.000 1.046 38 Y CB 1.426 39.994 38.460 0.180 0.000 1.303 38 Y HN 0.719 nan 8.280 nan 0.000 0.460 39 A N 1.558 124.414 122.820 0.061 0.000 2.342 39 A HA 0.689 5.009 4.320 -0.000 0.000 0.323 39 A C -0.098 177.533 177.584 0.079 0.000 1.125 39 A CA -0.379 51.502 52.037 -0.260 0.000 0.785 39 A CB 0.517 19.123 19.000 -0.658 0.000 1.221 39 A HN 1.129 nan 8.150 nan 0.000 0.463 40 T N 0.140 114.738 114.554 0.074 0.000 2.898 40 T HA 0.560 4.910 4.350 -0.000 0.000 0.301 40 T C 0.412 175.164 174.700 0.087 0.000 1.049 40 T CA 0.423 62.633 62.100 0.184 0.000 1.095 40 T CB 0.758 69.751 68.868 0.208 0.000 0.976 40 T HN 1.492 nan 8.240 nan 0.000 0.539 41 T N -2.222 112.389 114.554 0.095 0.000 2.865 41 T HA 0.482 4.832 4.350 -0.000 0.000 0.294 41 T C 1.348 176.077 174.700 0.048 0.000 1.119 41 T CA -0.247 61.892 62.100 0.064 0.000 1.007 41 T CB 1.297 70.209 68.868 0.074 0.000 1.225 41 T HN 0.786 nan 8.240 nan 0.000 0.515 42 S N 0.204 115.925 115.700 0.035 0.000 2.469 42 S HA -0.114 4.356 4.470 -0.000 0.000 0.238 42 S C 1.619 176.221 174.600 0.003 0.000 0.998 42 S CA 0.162 58.372 58.200 0.018 0.000 0.957 42 S CB -0.553 62.657 63.200 0.017 0.000 0.764 42 S HN 0.632 nan 8.310 nan 0.000 0.514 43 R N 1.790 122.299 120.500 0.015 0.000 2.316 43 R HA 0.114 4.454 4.340 -0.000 0.000 0.202 43 R C 1.850 178.147 176.300 -0.006 0.000 1.029 43 R CA 1.026 57.129 56.100 0.004 0.000 1.018 43 R CB -1.029 29.281 30.300 0.017 0.000 0.888 43 R HN 0.774 nan 8.270 nan 0.000 0.471 44 S N -1.664 114.036 115.700 0.001 0.000 2.559 44 S HA 0.284 4.754 4.470 -0.000 0.000 0.226 44 S C 1.704 176.285 174.600 -0.030 0.000 1.000 44 S CA 0.144 58.339 58.200 -0.008 0.000 0.948 44 S CB 0.712 63.924 63.200 0.020 0.000 0.870 44 S HN 0.170 nan 8.310 nan 0.000 0.497 45 A N 2.138 124.930 122.820 -0.046 0.000 1.940 45 A HA 0.168 4.488 4.320 -0.000 0.000 0.219 45 A C 2.254 179.744 177.584 -0.157 0.000 1.176 45 A CA 1.644 53.628 52.037 -0.088 0.000 0.631 45 A CB -1.674 17.269 19.000 -0.095 0.000 0.814 45 A HN 0.674 nan 8.150 nan 0.000 0.446 46 G N -0.281 108.426 108.800 -0.154 0.000 2.442 46 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.219 46 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.219 46 G C 1.336 176.143 174.900 -0.155 0.000 1.141 46 G CA 1.270 46.253 45.100 -0.195 0.000 0.763 46 G HN 0.385 nan 8.290 nan 0.000 0.554 47 L N 0.174 121.341 121.223 -0.094 0.000 2.093 47 L HA 0.100 4.440 4.340 -0.000 0.000 0.208 47 L C 2.708 179.550 176.870 -0.048 0.000 1.085 47 L CA 1.386 56.191 54.840 -0.058 0.000 0.755 47 L CB -0.677 41.361 42.059 -0.035 0.000 0.904 47 L HN 0.145 nan 8.230 nan 0.000 0.435 48 R N -0.069 120.397 120.500 -0.057 0.000 2.075 48 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 48 R C 2.212 178.482 176.300 -0.050 0.000 1.126 48 R CA 1.401 57.484 56.100 -0.028 0.000 0.963 48 R CB -0.384 29.903 30.300 -0.020 0.000 0.858 48 R HN 0.451 nan 8.270 nan 0.000 0.435 49 Q N 0.102 119.791 119.800 -0.185 0.000 2.135 49 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 49 Q C 1.966 177.923 176.000 -0.070 0.000 0.981 49 Q CA 1.973 57.596 55.803 -0.300 0.000 0.856 49 Q CB -0.133 28.112 28.738 -0.822 0.000 0.902 49 Q HN 0.346 nan 8.270 nan 0.000 0.425 50 K N 0.814 121.179 120.400 -0.058 0.000 2.057 50 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 50 K C 2.029 178.710 176.600 0.135 0.000 1.049 50 K CA 1.153 57.466 56.287 0.043 0.000 0.931 50 K CB 0.002 32.509 32.500 0.012 0.000 0.714 50 K HN 0.105 nan 8.250 nan 0.000 0.440 51 K N 0.598 121.070 120.400 0.121 0.000 2.026 51 K HA -0.106 4.214 4.320 -0.000 0.000 0.208 51 K C 1.971 178.774 176.600 0.338 0.000 1.048 51 K CA 1.631 58.027 56.287 0.182 0.000 0.929 51 K CB -0.124 32.452 32.500 0.127 0.000 0.713 51 K HN 0.120 nan 8.250 nan 0.000 0.439 52 V N -1.061 119.037 119.914 0.305 0.000 3.573 52 V HA 0.042 4.162 4.120 -0.000 0.000 0.270 52 V C 0.297 176.536 176.094 0.242 0.000 1.221 52 V CA 0.287 62.804 62.300 0.361 0.000 1.163 52 V CB -0.307 31.706 31.823 0.316 0.000 0.847 52 V HN -0.010 nan 8.190 nan 0.000 0.468 53 T N 4.361 119.115 114.554 0.334 0.000 2.753 53 T HA 0.720 5.070 4.350 -0.000 0.000 0.297 53 T C -0.748 174.115 174.700 0.273 0.000 0.981 53 T CA -0.037 62.230 62.100 0.277 0.000 0.956 53 T CB 0.237 69.389 68.868 0.473 0.000 0.936 53 T HN 0.635 nan 8.240 nan 0.000 0.463 54 F N -0.141 119.909 119.950 0.166 0.000 2.773 54 F HA 0.644 5.171 4.527 0.001 0.000 0.314 54 F C -1.082 174.752 175.800 0.057 0.000 1.160 54 F CA -1.715 56.344 58.000 0.099 0.000 0.920 54 F CB 0.611 39.661 39.000 0.083 0.000 1.323 54 F HN 0.231 nan 8.300 nan 0.000 0.457 55 D N 0.581 121.167 120.400 0.309 0.000 2.304 55 D HA 0.545 5.185 4.640 -0.000 0.000 0.247 55 D C -0.886 175.561 176.300 0.244 0.000 1.089 55 D CA 0.073 54.178 54.000 0.175 0.000 0.910 55 D CB 0.917 41.786 40.800 0.115 0.000 1.199 55 D HN 0.599 nan 8.370 nan 0.000 0.426 56 R N 1.721 122.297 120.500 0.126 0.000 2.670 56 R HA 0.705 5.044 4.340 -0.000 0.000 0.289 56 R C -1.154 175.178 176.300 0.052 0.000 0.965 56 R CA -0.769 55.401 56.100 0.118 0.000 0.899 56 R CB 1.346 31.689 30.300 0.071 0.000 1.173 56 R HN 0.315 nan 8.270 nan 0.000 0.456 57 L N 1.179 122.425 121.223 0.040 0.000 2.401 57 L HA 0.507 4.847 4.340 -0.000 0.000 0.266 57 L C -1.129 175.739 176.870 -0.004 0.000 0.991 57 L CA -0.270 54.575 54.840 0.010 0.000 0.818 57 L CB 2.268 44.330 42.059 0.006 0.000 1.321 57 L HN 0.569 nan 8.230 nan 0.000 0.413 58 Q N 2.162 121.949 119.800 -0.021 0.000 2.331 58 Q HA 0.688 5.028 4.340 -0.000 0.000 0.272 58 Q C -1.662 174.310 176.000 -0.048 0.000 1.062 58 Q CA -0.722 55.061 55.803 -0.034 0.000 0.806 58 Q CB 3.195 31.898 28.738 -0.058 0.000 1.312 58 Q HN 0.364 nan 8.270 nan 0.000 0.431 59 V N 4.334 124.223 119.914 -0.041 0.000 2.357 59 V HA 0.374 4.493 4.120 -0.000 0.000 0.281 59 V C -0.676 175.411 176.094 -0.012 0.000 1.015 59 V CA -0.489 61.785 62.300 -0.043 0.000 0.827 59 V CB 1.118 32.908 31.823 -0.054 0.000 1.018 59 V HN 0.610 nan 8.190 nan 0.000 0.432 60 L N 5.732 126.911 121.223 -0.074 0.000 2.272 60 L HA 0.577 4.916 4.340 -0.000 0.000 0.289 60 L C 0.149 177.025 176.870 0.010 0.000 1.032 60 L CA -0.512 54.249 54.840 -0.131 0.000 0.810 60 L CB 1.304 43.087 42.059 -0.459 0.000 1.205 60 L HN 0.656 nan 8.230 nan 0.000 0.422 61 D N 0.996 121.486 120.400 0.151 0.000 2.564 61 D HA 0.100 4.740 4.640 -0.000 0.000 0.273 61 D C 0.261 176.635 176.300 0.123 0.000 1.192 61 D CA -0.562 53.509 54.000 0.118 0.000 1.080 61 D CB 0.902 41.778 40.800 0.126 0.000 1.160 61 D HN 0.328 nan 8.370 nan 0.000 0.607 62 D N -1.188 119.226 120.400 0.022 0.000 2.178 62 D HA -0.140 4.500 4.640 -0.000 0.000 0.202 62 D C 1.786 178.100 176.300 0.024 0.000 0.974 62 D CA 0.984 54.977 54.000 -0.013 0.000 0.841 62 D CB -0.101 40.638 40.800 -0.101 0.000 0.953 62 D HN 0.413 nan 8.370 nan 0.000 0.478 63 H N -0.162 118.974 119.070 0.109 0.000 2.353 63 H HA -0.154 4.402 4.556 -0.000 0.000 0.300 63 H C 2.005 177.369 175.328 0.061 0.000 1.090 63 H CA 0.930 57.031 56.048 0.088 0.000 1.327 63 H CB -0.639 29.198 29.762 0.124 0.000 1.383 63 H HN 0.314 nan 8.280 nan 0.000 0.508 64 Y N 1.906 122.249 120.300 0.073 0.000 2.097 64 Y HA -0.225 4.324 4.550 -0.001 0.000 0.282 64 Y C 2.647 178.500 175.900 -0.077 0.000 1.152 64 Y CA 1.666 59.688 58.100 -0.130 0.000 1.136 64 Y CB -0.099 38.208 38.460 -0.255 0.000 0.975 64 Y HN -0.046 nan 8.280 nan 0.000 0.498 65 R N 0.030 120.615 120.500 0.141 0.000 2.115 65 R HA -0.134 4.205 4.340 -0.000 0.000 0.230 65 R C 1.693 177.973 176.300 -0.034 0.000 1.111 65 R CA 1.303 57.425 56.100 0.037 0.000 0.976 65 R CB -0.253 30.106 30.300 0.098 0.000 0.870 65 R HN 0.430 nan 8.270 nan 0.000 0.445 66 D N 0.070 120.469 120.400 -0.002 0.000 2.117 66 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 66 D C 1.943 178.224 176.300 -0.032 0.000 0.982 66 D CA 1.014 55.015 54.000 0.002 0.000 0.828 66 D CB -0.106 40.724 40.800 0.049 0.000 0.967 66 D HN -0.010 nan 8.370 nan 0.000 0.464 67 V N 1.191 121.062 119.914 -0.072 0.000 2.427 67 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 67 V C 2.422 178.439 176.094 -0.128 0.000 1.051 67 V CA 0.901 63.139 62.300 -0.102 0.000 1.048 67 V CB -0.380 31.343 31.823 -0.168 0.000 0.666 67 V HN 0.132 nan 8.190 nan 0.000 0.456 68 L N 0.555 121.641 121.223 -0.228 0.000 2.083 68 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 68 L C 2.369 179.176 176.870 -0.106 0.000 1.083 68 L CA 2.109 56.820 54.840 -0.215 0.000 0.752 68 L CB -0.824 41.045 42.059 -0.317 0.000 0.899 68 L HN 0.268 nan 8.230 nan 0.000 0.433 69 K N -0.517 119.837 120.400 -0.075 0.000 2.057 69 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 69 K C 1.947 178.532 176.600 -0.026 0.000 1.049 69 K CA 1.768 58.032 56.287 -0.039 0.000 0.931 69 K CB -0.083 32.404 32.500 -0.023 0.000 0.714 69 K HN 0.495 nan 8.250 nan 0.000 0.440 70 E N 0.181 120.370 120.200 -0.019 0.000 2.051 70 E HA -0.187 4.162 4.350 -0.000 0.000 0.192 70 E C 2.098 178.699 176.600 0.001 0.000 0.991 70 E CA 1.600 58.001 56.400 0.000 0.000 0.799 70 E CB -0.064 29.647 29.700 0.018 0.000 0.748 70 E HN 0.342 nan 8.360 nan 0.000 0.449 71 M N 0.594 120.193 119.600 -0.001 0.000 2.117 71 M HA -0.190 4.289 4.480 -0.000 0.000 0.262 71 M C 2.130 178.411 176.300 -0.032 0.000 1.065 71 M CA 1.523 56.817 55.300 -0.009 0.000 1.114 71 M CB -0.155 32.442 32.600 -0.005 0.000 1.361 71 M HN -0.061 nan 8.290 nan 0.000 0.408 72 K N 0.202 120.580 120.400 -0.037 0.000 2.148 72 K HA -0.067 4.253 4.320 -0.000 0.000 0.204 72 K C 2.108 178.695 176.600 -0.022 0.000 1.050 72 K CA 1.296 57.563 56.287 -0.033 0.000 0.942 72 K CB -0.247 32.233 32.500 -0.034 0.000 0.724 72 K HN 0.305 nan 8.250 nan 0.000 0.446 73 A N 1.999 124.808 122.820 -0.018 0.000 1.902 73 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 73 A C 1.874 179.449 177.584 -0.015 0.000 1.181 73 A CA 1.503 53.532 52.037 -0.012 0.000 0.623 73 A CB -0.237 18.759 19.000 -0.007 0.000 0.818 73 A HN 0.187 nan 8.150 nan 0.000 0.443 74 K N -0.344 120.044 120.400 -0.021 0.000 2.097 74 K HA 0.031 4.351 4.320 -0.000 0.000 0.205 74 K C 2.260 178.839 176.600 -0.035 0.000 1.050 74 K CA 0.962 57.231 56.287 -0.030 0.000 0.938 74 K CB -0.297 32.178 32.500 -0.041 0.000 0.718 74 K HN 0.417 nan 8.250 nan 0.000 0.442 75 A N 1.195 123.995 122.820 -0.034 0.000 1.972 75 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 75 A C 2.076 179.652 177.584 -0.012 0.000 1.169 75 A CA 1.611 53.632 52.037 -0.026 0.000 0.635 75 A CB -0.443 18.545 19.000 -0.019 0.000 0.810 75 A HN 0.155 nan 8.150 nan 0.000 0.446 76 S N -0.357 115.337 115.700 -0.010 0.000 2.500 76 S HA -0.096 4.374 4.470 -0.000 0.000 0.239 76 S C 1.889 176.486 174.600 -0.005 0.000 0.989 76 S CA 1.554 59.752 58.200 -0.003 0.000 0.951 76 S CB -0.456 62.742 63.200 -0.003 0.000 0.759 76 S HN 0.909 nan 8.310 nan 0.000 0.523 77 T N -1.153 113.394 114.554 -0.011 0.000 3.081 77 T HA 0.214 4.564 4.350 -0.000 0.000 0.250 77 T C 0.476 175.167 174.700 -0.014 0.000 1.100 77 T CA -0.127 61.966 62.100 -0.012 0.000 1.038 77 T CB -0.191 68.667 68.868 -0.016 0.000 0.962 77 T HN 0.013 nan 8.240 nan 0.000 0.516 78 V N 1.959 121.864 119.914 -0.015 0.000 2.546 78 V HA 0.418 4.538 4.120 -0.000 0.000 0.284 78 V C 0.055 176.146 176.094 -0.005 0.000 1.050 78 V CA -0.791 61.499 62.300 -0.017 0.000 0.981 78 V CB 1.262 33.069 31.823 -0.026 0.000 0.990 78 V HN 0.390 nan 8.190 nan 0.000 0.474 79 K N 3.629 124.026 120.400 -0.005 0.000 2.358 79 K HA 0.769 5.089 4.320 -0.000 0.000 0.260 79 K C -0.686 175.916 176.600 0.004 0.000 0.956 79 K CA -0.385 55.905 56.287 0.004 0.000 0.834 79 K CB 1.558 34.061 32.500 0.005 0.000 1.102 79 K HN 0.833 nan 8.250 nan 0.000 0.431 80 A N 3.838 126.665 122.820 0.012 0.000 2.380 80 A HA 0.686 5.006 4.320 -0.000 0.000 0.315 80 A C -1.214 176.388 177.584 0.029 0.000 1.101 80 A CA -0.874 51.171 52.037 0.014 0.000 0.771 80 A CB 1.245 20.249 19.000 0.008 0.000 1.287 80 A HN 0.609 nan 8.150 nan 0.000 0.436 81 K N 0.866 121.287 120.400 0.035 0.000 2.281 81 K HA 0.564 4.884 4.320 -0.000 0.000 0.242 81 K C -0.872 175.757 176.600 0.049 0.000 0.971 81 K CA -0.560 55.750 56.287 0.039 0.000 0.834 81 K CB 1.844 34.361 32.500 0.029 0.000 1.181 81 K HN 0.655 nan 8.250 nan 0.000 0.435 82 L N 1.719 122.966 121.223 0.039 0.000 2.436 82 L HA 0.222 4.562 4.340 -0.000 0.000 0.265 82 L C -0.046 176.810 176.870 -0.024 0.000 1.168 82 L CA -0.786 54.066 54.840 0.021 0.000 0.815 82 L CB 0.232 42.293 42.059 0.005 0.000 1.109 82 L HN 0.204 nan 8.230 nan 0.000 0.462 83 L N 1.182 122.368 121.223 -0.061 0.000 2.334 83 L HA 0.351 4.691 4.340 -0.000 0.000 0.275 83 L C 0.414 177.176 176.870 -0.180 0.000 1.036 83 L CA 0.202 54.988 54.840 -0.089 0.000 0.807 83 L CB 1.810 43.822 42.059 -0.078 0.000 1.231 83 L HN 0.728 nan 8.230 nan 0.000 0.438 84 S N 1.009 116.614 115.700 -0.158 0.000 2.624 84 S HA 0.258 4.728 4.470 -0.000 0.000 0.263 84 S C 1.224 175.684 174.600 -0.235 0.000 1.287 84 S CA -0.620 57.466 58.200 -0.190 0.000 0.990 84 S CB 0.825 63.952 63.200 -0.122 0.000 0.950 84 S HN 0.320 nan 8.310 nan 0.000 0.561 85 V N 1.459 121.208 119.914 -0.276 0.000 2.343 85 V HA -0.140 3.980 4.120 -0.000 0.000 0.247 85 V C 2.642 178.613 176.094 -0.204 0.000 1.051 85 V CA 2.315 64.427 62.300 -0.313 0.000 1.036 85 V CB -1.391 30.145 31.823 -0.479 0.000 0.654 85 V HN 0.846 nan 8.190 nan 0.000 0.451 86 E N 0.342 120.451 120.200 -0.151 0.000 2.085 86 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 86 E C 2.182 178.715 176.600 -0.111 0.000 0.994 86 E CA 1.537 57.871 56.400 -0.110 0.000 0.801 86 E CB -0.323 29.330 29.700 -0.078 0.000 0.743 86 E HN 0.691 nan 8.360 nan 0.000 0.453 87 E N 0.294 120.422 120.200 -0.120 0.000 2.077 87 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 87 E C 2.081 178.582 176.600 -0.164 0.000 0.989 87 E CA 1.031 57.354 56.400 -0.128 0.000 0.800 87 E CB -0.213 29.415 29.700 -0.121 0.000 0.746 87 E HN 0.283 nan 8.360 nan 0.000 0.452 88 A N 0.955 123.673 122.820 -0.170 0.000 1.902 88 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 88 A C 2.453 179.953 177.584 -0.139 0.000 1.181 88 A CA 1.229 53.163 52.037 -0.172 0.000 0.623 88 A CB -0.952 17.961 19.000 -0.146 0.000 0.818 88 A HN 0.370 nan 8.150 nan 0.000 0.443 89 C N -0.239 118.990 119.300 -0.119 0.000 2.401 89 C HA -0.096 4.363 4.460 -0.000 0.000 0.276 89 C C 2.553 177.497 174.990 -0.075 0.000 1.233 89 C CA 1.319 60.285 59.018 -0.087 0.000 1.753 89 C CB -0.810 26.877 27.740 -0.088 0.000 2.029 89 C HN 0.482 nan 8.230 nan 0.000 0.478 90 K N 0.721 121.072 120.400 -0.082 0.000 2.442 90 K HA 0.061 4.381 4.320 -0.000 0.000 0.198 90 K C 1.372 177.947 176.600 -0.041 0.000 1.042 90 K CA 0.816 57.074 56.287 -0.049 0.000 0.958 90 K CB -0.374 32.094 32.500 -0.054 0.000 0.766 90 K HN 0.569 nan 8.250 nan 0.000 0.474 91 L N 0.785 121.936 121.223 -0.119 0.000 2.592 91 L HA 0.034 4.374 4.340 -0.000 0.000 0.227 91 L C 0.248 177.058 176.870 -0.101 0.000 1.127 91 L CA 0.085 54.819 54.840 -0.177 0.000 0.884 91 L CB 0.002 41.845 42.059 -0.359 0.000 1.065 91 L HN -0.125 nan 8.230 nan 0.000 0.457 92 T N 1.458 115.980 114.554 -0.053 0.000 2.780 92 T HA 0.260 4.610 4.350 -0.000 0.000 0.294 92 T C -2.331 172.308 174.700 -0.100 0.000 0.949 92 T CA -1.198 60.867 62.100 -0.059 0.000 1.074 92 T CB 1.264 70.104 68.868 -0.047 0.000 0.910 92 T HN -0.153 nan 8.240 nan 0.000 0.501 93 P HA 0.172 nan 4.420 nan 0.000 0.271 93 P C -1.895 175.241 177.300 -0.274 0.000 1.218 93 P CA -1.409 61.526 63.100 -0.275 0.000 0.780 93 P CB 0.258 31.877 31.700 -0.135 0.000 0.901 94 P HA -0.152 nan 4.420 nan 0.000 0.219 94 P C 0.182 177.297 177.300 -0.308 0.000 1.146 94 P CA 1.654 64.587 63.100 -0.278 0.000 0.808 94 P CB -0.105 31.457 31.700 -0.229 0.000 0.779 95 H N -2.550 116.419 119.070 -0.168 0.000 2.469 95 H HA 0.298 4.854 4.556 -0.000 0.000 0.286 95 H C 0.353 175.614 175.328 -0.112 0.000 1.106 95 H CA -0.430 55.549 56.048 -0.116 0.000 1.055 95 H CB -0.319 29.384 29.762 -0.097 0.000 1.618 95 H HN -0.052 nan 8.280 nan 0.000 0.559 96 S N 1.091 116.759 115.700 -0.052 0.000 2.572 96 S HA 0.407 4.877 4.470 -0.000 0.000 0.279 96 S C 0.742 175.301 174.600 -0.069 0.000 1.341 96 S CA -0.463 57.691 58.200 -0.076 0.000 1.043 96 S CB 0.215 63.372 63.200 -0.072 0.000 0.887 96 S HN 0.558 nan 8.310 nan 0.000 0.516 97 A N 4.622 127.382 122.820 -0.100 0.000 2.580 97 A HA 0.182 4.502 4.320 -0.000 0.000 0.244 97 A C 0.615 178.196 177.584 -0.004 0.000 1.045 97 A CA 0.070 52.083 52.037 -0.040 0.000 0.761 97 A CB -0.350 18.639 19.000 -0.017 0.000 0.962 97 A HN 0.865 nan 8.150 nan 0.000 0.512 98 K N 2.369 122.754 120.400 -0.025 0.000 2.336 98 K HA 0.328 4.648 4.320 -0.000 0.000 0.262 98 K C 0.397 176.922 176.600 -0.124 0.000 0.992 98 K CA 0.098 56.339 56.287 -0.078 0.000 0.927 98 K CB 0.380 32.828 32.500 -0.087 0.000 0.956 98 K HN 0.453 nan 8.250 nan 0.000 0.495 99 S N 0.073 115.590 115.700 -0.305 0.000 2.603 99 S HA 0.090 4.560 4.470 -0.000 0.000 0.268 99 S C 0.422 174.793 174.600 -0.381 0.000 1.317 99 S CA -0.656 57.303 58.200 -0.402 0.000 1.012 99 S CB 0.668 63.292 63.200 -0.959 0.000 0.926 99 S HN 0.671 nan 8.310 nan 0.000 0.539 100 K N 1.864 122.009 120.400 -0.426 0.000 2.444 100 K HA 0.107 4.427 4.320 -0.000 0.000 0.193 100 K C -0.288 175.893 176.600 -0.698 0.000 1.024 100 K CA 0.516 56.479 56.287 -0.540 0.000 1.077 100 K CB -0.006 32.110 32.500 -0.640 0.000 0.833 100 K HN 0.554 nan 8.250 nan 0.000 0.517 101 F N 0.456 120.204 119.950 -0.337 0.000 2.730 101 F HA 0.250 4.777 4.527 -0.000 0.000 0.295 101 F C 1.141 176.806 175.800 -0.223 0.000 1.143 101 F CA -0.454 57.355 58.000 -0.317 0.000 1.367 101 F CB 0.734 39.397 39.000 -0.562 0.000 0.970 101 F HN 0.115 nan 8.300 nan 0.000 0.514 102 G N 0.243 108.984 108.800 -0.099 0.000 2.131 102 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.223 102 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.223 102 G C -0.313 174.650 174.900 0.106 0.000 0.990 102 G CA 0.105 45.215 45.100 0.018 0.000 0.671 102 G HN 0.531 nan 8.290 nan 0.000 0.521 103 Y N -2.457 117.830 120.300 -0.022 0.000 2.624 103 Y HA 0.757 5.307 4.550 -0.000 0.000 0.334 103 Y C 0.298 176.188 175.900 -0.016 0.000 1.155 103 Y CA -1.101 56.989 58.100 -0.016 0.000 1.046 103 Y CB 0.588 39.044 38.460 -0.006 0.000 1.316 103 Y HN 0.701 nan 8.280 nan 0.000 0.457 104 G N -0.129 108.751 108.800 0.133 0.000 3.013 104 G HA2 0.546 4.506 3.960 -0.000 0.000 0.278 104 G HA3 0.546 4.506 3.960 -0.000 0.000 0.278 104 G C 0.261 175.219 174.900 0.096 0.000 1.353 104 G CA -0.789 44.334 45.100 0.037 0.000 1.043 104 G HN 1.219 nan 8.290 nan 0.000 0.523 105 A N -0.344 122.481 122.820 0.008 0.000 1.940 105 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 105 A C 2.165 179.722 177.584 -0.046 0.000 1.176 105 A CA 2.025 54.052 52.037 -0.017 0.000 0.631 105 A CB -0.410 18.541 19.000 -0.082 0.000 0.814 105 A HN 0.607 nan 8.150 nan 0.000 0.446 106 K N -0.316 120.040 120.400 -0.073 0.000 2.148 106 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 106 K C 1.307 177.885 176.600 -0.036 0.000 1.050 106 K CA 1.330 57.566 56.287 -0.084 0.000 0.942 106 K CB -0.174 32.263 32.500 -0.105 0.000 0.724 106 K HN 0.483 nan 8.250 nan 0.000 0.446 107 D N 0.477 120.884 120.400 0.011 0.000 2.149 107 D HA -0.101 4.539 4.640 -0.000 0.000 0.201 107 D C 1.998 178.293 176.300 -0.007 0.000 0.972 107 D CA 0.896 54.908 54.000 0.020 0.000 0.835 107 D CB 0.008 40.860 40.800 0.087 0.000 0.966 107 D HN -0.049 nan 8.370 nan 0.000 0.476 108 V N 1.465 121.393 119.914 0.024 0.000 2.307 108 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 108 V C 2.499 178.570 176.094 -0.040 0.000 1.045 108 V CA 1.482 63.776 62.300 -0.010 0.000 1.024 108 V CB -0.352 31.500 31.823 0.048 0.000 0.651 108 V HN 0.109 nan 8.190 nan 0.000 0.449 109 R N 0.331 120.805 120.500 -0.044 0.000 2.120 109 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 109 R C 1.857 178.130 176.300 -0.045 0.000 1.123 109 R CA 1.293 57.361 56.100 -0.053 0.000 0.975 109 R CB -0.354 29.898 30.300 -0.080 0.000 0.866 109 R HN 0.520 nan 8.270 nan 0.000 0.446 110 N N 0.781 119.456 118.700 -0.043 0.000 2.467 110 N HA 0.022 4.762 4.740 -0.000 0.000 0.184 110 N C 0.358 175.844 175.510 -0.040 0.000 1.106 110 N CA 0.403 53.431 53.050 -0.037 0.000 0.892 110 N CB 0.183 38.651 38.487 -0.032 0.000 0.969 110 N HN 0.150 nan 8.380 nan 0.000 0.454 111 L N 0.747 121.939 121.223 -0.051 0.000 3.717 111 L HA -0.212 4.128 4.340 -0.000 0.000 0.411 111 L C 0.114 176.948 176.870 -0.060 0.000 1.233 111 L CA -0.070 54.734 54.840 -0.060 0.000 0.917 111 L CB -2.574 39.455 42.059 -0.050 0.000 1.902 111 L HN 0.151 nan 8.230 nan 0.000 0.894 112 S N -0.976 114.684 115.700 -0.066 0.000 2.560 112 S HA 0.263 4.732 4.470 -0.000 0.000 0.284 112 S C 1.497 176.052 174.600 -0.076 0.000 1.327 112 S CA -0.059 58.105 58.200 -0.060 0.000 1.055 112 S CB 1.723 64.892 63.200 -0.051 0.000 0.868 112 S HN 0.485 nan 8.310 nan 0.000 0.506 113 S N 2.575 118.246 115.700 -0.048 0.000 2.419 113 S HA -0.199 4.271 4.470 -0.000 0.000 0.233 113 S C 1.649 176.218 174.600 -0.052 0.000 1.016 113 S CA 1.127 59.304 58.200 -0.038 0.000 0.974 113 S CB -0.547 62.641 63.200 -0.019 0.000 0.786 113 S HN 0.868 nan 8.310 nan 0.000 0.492 114 K N 1.671 122.032 120.400 -0.066 0.000 2.025 114 K HA 0.038 4.358 4.320 -0.000 0.000 0.207 114 K C 2.333 178.796 176.600 -0.228 0.000 1.049 114 K CA 1.102 57.347 56.287 -0.070 0.000 0.933 114 K CB -0.583 31.906 32.500 -0.018 0.000 0.714 114 K HN 0.424 nan 8.250 nan 0.000 0.438 115 A N 0.659 123.228 122.820 -0.420 0.000 1.872 115 A HA -0.071 4.248 4.320 -0.000 0.000 0.214 115 A C 2.235 179.543 177.584 -0.460 0.000 1.187 115 A CA 1.430 52.914 52.037 -0.922 0.000 0.614 115 A CB -0.649 17.918 19.000 -0.722 0.000 0.826 115 A HN 0.160 nan 8.150 nan 0.000 0.442 116 V N 1.305 121.076 119.914 -0.238 0.000 2.332 116 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 116 V C 2.275 178.360 176.094 -0.015 0.000 1.055 116 V CA 2.184 64.403 62.300 -0.136 0.000 1.038 116 V CB -0.991 30.797 31.823 -0.057 0.000 0.651 116 V HN 0.553 nan 8.190 nan 0.000 0.450 117 N N -0.716 118.005 118.700 0.035 0.000 2.188 117 N HA -0.173 4.567 4.740 -0.000 0.000 0.184 117 N C 1.874 177.433 175.510 0.081 0.000 1.018 117 N CA 1.456 54.572 53.050 0.109 0.000 0.858 117 N CB -0.554 37.965 38.487 0.052 0.000 0.989 117 N HN 0.656 nan 8.380 nan 0.000 0.426 118 H N 1.085 120.120 119.070 -0.058 0.000 2.357 118 H HA 0.052 4.608 4.556 -0.000 0.000 0.301 118 H C 2.046 177.368 175.328 -0.011 0.000 1.082 118 H CA 0.919 56.950 56.048 -0.028 0.000 1.342 118 H CB 0.018 29.808 29.762 0.046 0.000 1.389 118 H HN 0.126 nan 8.280 nan 0.000 0.511 119 I N 0.278 120.800 120.570 -0.081 0.000 2.208 119 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 119 I C 2.336 178.386 176.117 -0.112 0.000 1.097 119 I CA 1.450 62.684 61.300 -0.110 0.000 1.363 119 I CB -0.445 37.473 38.000 -0.138 0.000 1.051 119 I HN 0.332 nan 8.210 nan 0.000 0.413 120 H N 0.068 119.102 119.070 -0.060 0.000 2.387 120 H HA -0.160 4.396 4.556 -0.000 0.000 0.299 120 H C 2.550 177.882 175.328 0.006 0.000 1.090 120 H CA 1.904 57.943 56.048 -0.015 0.000 1.332 120 H CB 0.023 29.762 29.762 -0.038 0.000 1.386 120 H HN 0.380 nan 8.280 nan 0.000 0.516 121 S N -0.122 115.595 115.700 0.029 0.000 2.383 121 S HA -0.122 4.348 4.470 -0.000 0.000 0.227 121 S C 2.257 176.795 174.600 -0.104 0.000 1.026 121 S CA 1.135 59.302 58.200 -0.054 0.000 0.981 121 S CB -0.669 62.452 63.200 -0.131 0.000 0.818 121 S HN 0.156 nan 8.310 nan 0.000 0.472 122 V N 0.876 120.675 119.914 -0.190 0.000 2.358 122 V HA -0.123 3.997 4.120 -0.000 0.000 0.246 122 V C 2.249 178.343 176.094 -0.000 0.000 1.047 122 V CA 1.774 63.986 62.300 -0.147 0.000 1.035 122 V CB -1.070 30.659 31.823 -0.157 0.000 0.658 122 V HN 0.713 nan 8.190 nan 0.000 0.452 123 W N 1.443 122.682 121.300 -0.101 0.000 2.355 123 W HA -0.233 4.427 4.660 -0.000 0.000 0.309 123 W C 2.513 179.009 176.519 -0.038 0.000 1.206 123 W CA 2.317 59.628 57.345 -0.056 0.000 1.284 123 W CB -0.147 29.289 29.460 -0.039 0.000 1.145 123 W HN 0.246 nan 8.180 nan 0.000 0.502 124 K N 0.595 121.067 120.400 0.121 0.000 2.063 124 K HA -0.277 4.043 4.320 -0.000 0.000 0.208 124 K C 1.758 178.306 176.600 -0.087 0.000 1.048 124 K CA 2.306 58.605 56.287 0.020 0.000 0.928 124 K CB -0.613 31.922 32.500 0.058 0.000 0.713 124 K HN 0.026 nan 8.250 nan 0.000 0.442 125 D N 0.207 120.555 120.400 -0.087 0.000 2.144 125 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 125 D C 1.944 178.156 176.300 -0.147 0.000 0.984 125 D CA 0.975 54.914 54.000 -0.101 0.000 0.834 125 D CB 0.053 40.798 40.800 -0.091 0.000 0.955 125 D HN 0.222 nan 8.370 nan 0.000 0.465 126 L N -0.076 121.017 121.223 -0.217 0.000 2.131 126 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 126 L C 2.351 179.034 176.870 -0.311 0.000 1.092 126 L CA 0.632 55.301 54.840 -0.285 0.000 0.759 126 L CB -0.285 41.524 42.059 -0.416 0.000 0.903 126 L HN 0.245 nan 8.230 nan 0.000 0.435 127 L N -0.931 120.083 121.223 -0.349 0.000 2.179 127 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 127 L C 2.109 178.889 176.870 -0.150 0.000 1.096 127 L CA 0.999 55.678 54.840 -0.269 0.000 0.779 127 L CB -0.314 41.593 42.059 -0.253 0.000 0.922 127 L HN 0.286 nan 8.230 nan 0.000 0.443 128 E N -1.014 119.113 120.200 -0.122 0.000 2.447 128 E HA -0.021 4.329 4.350 -0.000 0.000 0.195 128 E C 0.078 176.636 176.600 -0.070 0.000 1.028 128 E CA 0.083 56.436 56.400 -0.078 0.000 0.876 128 E CB 0.409 30.074 29.700 -0.058 0.000 0.885 128 E HN 0.190 nan 8.360 nan 0.000 0.500 129 D N 0.548 120.897 120.400 -0.085 0.000 2.620 129 D HA 0.051 4.690 4.640 -0.000 0.000 0.252 129 D C -0.207 176.045 176.300 -0.080 0.000 1.207 129 D CA -0.314 53.645 54.000 -0.069 0.000 0.884 129 D CB 1.578 42.342 40.800 -0.060 0.000 1.262 129 D HN -0.043 nan 8.370 nan 0.000 0.552 130 T N 0.449 114.964 114.554 -0.064 0.000 3.228 130 T HA 0.289 4.639 4.350 -0.000 0.000 0.278 130 T C 0.809 175.482 174.700 -0.045 0.000 1.014 130 T CA -0.151 61.911 62.100 -0.065 0.000 0.904 130 T CB 0.127 68.960 68.868 -0.058 0.000 1.110 130 T HN 0.131 nan 8.240 nan 0.000 0.541 131 V N -0.397 119.495 119.914 -0.038 0.000 3.305 131 V HA 0.211 4.331 4.120 -0.000 0.000 0.247 131 V C 0.860 176.946 176.094 -0.014 0.000 1.426 131 V CA 0.051 62.337 62.300 -0.023 0.000 1.162 131 V CB 0.301 32.114 31.823 -0.018 0.000 0.961 131 V HN 0.459 nan 8.190 nan 0.000 0.449 132 T N 4.251 118.794 114.554 -0.017 0.000 2.784 132 T HA 0.219 4.569 4.350 -0.000 0.000 0.291 132 T C -2.423 172.276 174.700 -0.000 0.000 0.942 132 T CA -0.484 61.614 62.100 -0.004 0.000 1.161 132 T CB 0.788 69.652 68.868 -0.006 0.000 0.885 132 T HN 0.152 nan 8.240 nan 0.000 0.534 133 P HA 0.143 nan 4.420 nan 0.000 0.265 133 P C -0.235 177.069 177.300 0.007 0.000 1.193 133 P CA -0.043 63.073 63.100 0.027 0.000 0.765 133 P CB 0.378 32.135 31.700 0.096 0.000 0.823 134 I N 2.335 122.892 120.570 -0.021 0.000 2.396 134 I HA 0.164 4.334 4.170 -0.000 0.000 0.292 134 I C 0.891 176.995 176.117 -0.021 0.000 0.999 134 I CA -0.511 60.780 61.300 -0.014 0.000 1.310 134 I CB 0.962 38.943 38.000 -0.031 0.000 1.404 134 I HN 0.326 nan 8.210 nan 0.000 0.496 135 D N 4.237 124.637 120.400 0.000 0.000 2.382 135 D HA 0.226 4.866 4.640 -0.000 0.000 0.240 135 D C -0.368 175.895 176.300 -0.062 0.000 1.146 135 D CA 0.306 54.291 54.000 -0.026 0.000 0.897 135 D CB 0.836 41.630 40.800 -0.008 0.000 1.197 135 D HN 0.633 nan 8.370 nan 0.000 0.432 136 T N -0.989 113.500 114.554 -0.108 0.000 2.896 136 T HA 0.614 4.964 4.350 -0.000 0.000 0.297 136 T C -0.518 174.031 174.700 -0.253 0.000 1.108 136 T CA -0.974 61.020 62.100 -0.176 0.000 1.004 136 T CB 1.574 70.366 68.868 -0.128 0.000 1.159 136 T HN 0.227 nan 8.240 nan 0.000 0.499 137 T N 1.982 116.238 114.554 -0.496 0.000 2.855 137 T HA 0.637 4.986 4.350 -0.000 0.000 0.281 137 T C -0.578 173.887 174.700 -0.391 0.000 1.007 137 T CA -0.649 61.148 62.100 -0.505 0.000 1.009 137 T CB 0.978 69.373 68.868 -0.788 0.000 0.983 137 T HN 0.752 nan 8.240 nan 0.000 0.455 138 I N 3.911 124.408 120.570 -0.121 0.000 2.404 138 I HA 0.569 4.739 4.170 -0.000 0.000 0.293 138 I C -1.106 175.062 176.117 0.085 0.000 0.992 138 I CA -0.824 60.495 61.300 0.032 0.000 1.149 138 I CB 0.773 38.831 38.000 0.096 0.000 1.315 138 I HN 0.419 nan 8.210 nan 0.000 0.446 139 M N 6.118 125.819 119.600 0.167 0.000 2.593 139 M HA 0.530 5.010 4.480 -0.000 0.000 0.290 139 M C -0.704 175.666 176.300 0.117 0.000 1.244 139 M CA -0.616 54.779 55.300 0.157 0.000 0.857 139 M CB 1.833 34.581 32.600 0.247 0.000 1.738 139 M HN 0.594 nan 8.290 nan 0.000 0.461 140 A N 1.764 124.630 122.820 0.078 0.000 2.290 140 A HA 0.574 4.894 4.320 -0.000 0.000 0.310 140 A C -0.229 177.389 177.584 0.057 0.000 1.202 140 A CA -0.575 51.497 52.037 0.058 0.000 0.837 140 A CB 0.447 19.468 19.000 0.035 0.000 1.139 140 A HN 0.751 nan 8.150 nan 0.000 0.509 141 K N 1.762 122.196 120.400 0.057 0.000 2.270 141 K HA 0.136 4.456 4.320 -0.000 0.000 0.276 141 K C -0.657 175.947 176.600 0.008 0.000 1.023 141 K CA 0.085 56.391 56.287 0.032 0.000 0.955 141 K CB 0.626 33.152 32.500 0.043 0.000 0.975 141 K HN 0.750 nan 8.250 nan 0.000 0.471 142 N N 2.781 121.454 118.700 -0.045 0.000 2.589 142 N HA 0.089 4.829 4.740 -0.000 0.000 0.232 142 N C -1.246 174.134 175.510 -0.218 0.000 1.015 142 N CA -0.297 52.689 53.050 -0.106 0.000 0.931 142 N CB 0.884 39.306 38.487 -0.108 0.000 1.150 142 N HN 0.393 nan 8.380 nan 0.000 0.512 143 E N 0.838 120.900 120.200 -0.231 0.000 2.256 143 E HA 0.437 4.787 4.350 -0.000 0.000 0.267 143 E C -0.770 175.403 176.600 -0.711 0.000 0.892 143 E CA -0.988 55.149 56.400 -0.439 0.000 0.775 143 E CB 2.500 32.007 29.700 -0.321 0.000 1.207 143 E HN 0.070 nan 8.360 nan 0.000 0.420 144 V N 3.140 122.492 119.914 -0.935 0.000 2.481 144 V HA 0.473 4.593 4.120 -0.000 0.000 0.286 144 V C -0.706 174.696 176.094 -1.153 0.000 1.042 144 V CA -0.185 61.573 62.300 -0.903 0.000 0.928 144 V CB 0.116 31.557 31.823 -0.636 0.000 0.986 144 V HN 0.524 nan 8.190 nan 0.000 0.462 145 F N 1.967 121.567 119.950 -0.583 0.000 2.754 145 F HA 0.636 5.164 4.527 0.000 0.000 0.320 145 F C -0.071 175.550 175.800 -0.298 0.000 1.156 145 F CA -0.795 56.949 58.000 -0.427 0.000 0.950 145 F CB 1.313 40.057 39.000 -0.426 0.000 1.388 145 F HN 0.535 nan 8.300 nan 0.000 0.485 146 C N 2.594 122.021 119.300 0.212 0.000 2.382 146 C HA 0.819 5.279 4.460 -0.000 0.000 0.327 146 C C -0.124 175.097 174.990 0.386 0.000 1.250 146 C CA -0.713 58.462 59.018 0.261 0.000 1.707 146 C CB 0.063 27.898 27.740 0.158 0.000 2.272 146 C HN 0.738 nan 8.230 nan 0.000 0.506 147 V N 4.601 124.755 119.914 0.399 0.000 3.032 147 V HA 0.367 4.487 4.120 -0.000 0.000 0.307 147 V C -0.273 175.902 176.094 0.136 0.000 1.097 147 V CA 0.283 62.727 62.300 0.241 0.000 1.191 147 V CB 0.449 32.335 31.823 0.105 0.000 0.964 147 V HN 1.086 nan 8.190 nan 0.000 0.494 154 R N 1.115 121.525 120.500 -0.151 0.000 2.670 154 R HA 0.495 4.835 4.340 -0.000 0.000 0.289 154 R C -0.655 175.589 176.300 -0.093 0.000 0.965 154 R CA -0.763 55.190 56.100 -0.246 0.000 0.899 154 R CB 2.196 32.186 30.300 -0.516 0.000 1.173 154 R HN 0.527 nan 8.270 nan 0.000 0.456 155 K N 2.479 122.888 120.400 0.014 0.000 2.172 155 K HA 0.405 4.725 4.320 -0.000 0.000 0.276 155 K C -2.282 174.349 176.600 0.052 0.000 1.013 155 K CA -1.715 54.562 56.287 -0.018 0.000 0.913 155 K CB 1.055 33.458 32.500 -0.162 0.000 1.055 155 K HN 0.240 nan 8.250 nan 0.000 0.461 156 P HA -0.004 nan 4.420 nan 0.000 0.272 156 P C -0.495 176.849 177.300 0.074 0.000 1.230 156 P CA -0.373 62.753 63.100 0.042 0.000 0.788 156 P CB 0.691 32.397 31.700 0.010 0.000 0.949 157 A N 3.126 125.995 122.820 0.083 0.000 2.483 157 A HA 0.105 4.425 4.320 -0.000 0.000 0.238 157 A C 0.693 178.325 177.584 0.081 0.000 1.070 157 A CA -0.060 52.035 52.037 0.098 0.000 0.770 157 A CB -0.248 18.796 19.000 0.073 0.000 1.008 157 A HN 0.472 nan 8.150 nan 0.000 0.497 158 R N 0.331 120.894 120.500 0.105 0.000 2.560 158 R HA 0.420 4.759 4.340 -0.000 0.000 0.270 158 R C -0.932 175.423 176.300 0.093 0.000 1.074 158 R CA -0.684 55.478 56.100 0.104 0.000 1.140 158 R CB 0.400 30.776 30.300 0.127 0.000 1.073 158 R HN 0.501 nan 8.270 nan 0.000 0.527 159 L N 2.039 123.323 121.223 0.102 0.000 2.344 159 L HA 0.476 4.816 4.340 -0.000 0.000 0.272 159 L C -0.350 176.610 176.870 0.149 0.000 1.035 159 L CA -0.560 54.344 54.840 0.108 0.000 0.807 159 L CB 1.133 43.247 42.059 0.091 0.000 1.237 159 L HN 0.468 nan 8.230 nan 0.000 0.442 160 I N 1.740 122.415 120.570 0.176 0.000 2.499 160 I HA 0.580 4.749 4.170 -0.000 0.000 0.288 160 I C -1.212 175.093 176.117 0.314 0.000 1.048 160 I CA -0.385 61.052 61.300 0.228 0.000 1.062 160 I CB 1.954 40.072 38.000 0.195 0.000 1.238 160 I HN 0.171 nan 8.210 nan 0.000 0.426 161 V N 8.852 128.951 119.914 0.308 0.000 2.444 161 V HA 0.619 4.738 4.120 -0.000 0.000 0.294 161 V C -0.802 175.482 176.094 0.317 0.000 1.022 161 V CA -0.454 61.990 62.300 0.240 0.000 0.850 161 V CB 1.107 33.039 31.823 0.182 0.000 0.992 161 V HN 0.583 nan 8.190 nan 0.000 0.426 162 F N 5.115 125.111 119.950 0.076 0.000 2.613 162 F HA 0.938 5.465 4.527 -0.001 0.000 0.310 162 F C -3.049 172.790 175.800 0.065 0.000 1.085 162 F CA -2.820 55.225 58.000 0.076 0.000 0.945 162 F CB 1.623 40.664 39.000 0.068 0.000 1.298 162 F HN 0.287 nan 8.300 nan 0.000 0.455 163 P HA 0.182 nan 4.420 nan 0.000 0.279 163 P C -1.028 176.368 177.300 0.160 0.000 1.276 163 P CA -0.165 62.982 63.100 0.078 0.000 0.801 163 P CB 1.203 32.967 31.700 0.107 0.000 1.127 164 D N -0.823 119.656 120.400 0.131 0.000 2.378 164 D HA -0.061 4.579 4.640 -0.000 0.000 0.238 164 D C 1.348 177.783 176.300 0.225 0.000 1.180 164 D CA -0.263 53.843 54.000 0.177 0.000 0.895 164 D CB 0.261 41.201 40.800 0.234 0.000 1.192 164 D HN 0.093 nan 8.370 nan 0.000 0.438 165 L N 3.168 124.507 121.223 0.194 0.000 2.081 165 L HA -0.022 4.318 4.340 -0.000 0.000 0.212 165 L C 2.030 179.061 176.870 0.269 0.000 1.080 165 L CA 2.575 57.530 54.840 0.192 0.000 0.754 165 L CB -1.104 41.024 42.059 0.115 0.000 0.893 165 L HN 0.656 nan 8.230 nan 0.000 0.433 166 G N -1.281 107.744 108.800 0.375 0.000 2.418 166 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 166 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 166 G C 1.530 176.574 174.900 0.240 0.000 1.158 166 G CA 1.074 46.427 45.100 0.422 0.000 0.771 166 G HN 0.356 nan 8.290 nan 0.000 0.545 167 V N 0.743 120.787 119.914 0.217 0.000 2.358 167 V HA -0.143 3.977 4.120 -0.000 0.000 0.246 167 V C 2.915 179.105 176.094 0.160 0.000 1.047 167 V CA 1.796 64.189 62.300 0.155 0.000 1.035 167 V CB -0.457 31.443 31.823 0.127 0.000 0.658 167 V HN 0.321 nan 8.190 nan 0.000 0.452 168 R N -0.255 120.349 120.500 0.174 0.000 2.105 168 R HA -0.140 4.200 4.340 -0.000 0.000 0.239 168 R C 2.200 178.580 176.300 0.133 0.000 1.135 168 R CA 1.507 57.703 56.100 0.160 0.000 0.967 168 R CB -0.635 29.757 30.300 0.153 0.000 0.861 168 R HN 0.426 nan 8.270 nan 0.000 0.442 169 V N 0.207 120.195 119.914 0.123 0.000 2.427 169 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 169 V C 2.429 178.573 176.094 0.083 0.000 1.051 169 V CA 1.392 63.735 62.300 0.071 0.000 1.048 169 V CB -0.365 31.486 31.823 0.047 0.000 0.666 169 V HN 0.443 nan 8.190 nan 0.000 0.456 170 C N -0.148 119.245 119.300 0.156 0.000 2.435 170 C HA -0.113 4.347 4.460 -0.000 0.000 0.279 170 C C 2.639 177.816 174.990 0.312 0.000 1.321 170 C CA 0.714 59.909 59.018 0.295 0.000 1.752 170 C CB -0.909 27.046 27.740 0.358 0.000 1.959 170 C HN 0.617 nan 8.230 nan 0.000 0.500 171 E N 0.909 121.241 120.200 0.220 0.000 2.077 171 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 171 E C 2.151 178.877 176.600 0.211 0.000 0.989 171 E CA 1.175 57.711 56.400 0.228 0.000 0.800 171 E CB -0.129 29.712 29.700 0.235 0.000 0.746 171 E HN 0.633 nan 8.360 nan 0.000 0.452 172 K N 0.395 120.891 120.400 0.161 0.000 2.032 172 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 172 K C 2.223 178.895 176.600 0.119 0.000 1.048 172 K CA 1.509 57.878 56.287 0.137 0.000 0.927 172 K CB -0.161 32.350 32.500 0.018 0.000 0.712 172 K HN 0.115 nan 8.250 nan 0.000 0.441 173 M N 0.307 119.940 119.600 0.054 0.000 2.082 173 M HA -0.208 4.271 4.480 -0.000 0.000 0.258 173 M C 2.429 178.786 176.300 0.095 0.000 1.069 173 M CA 1.913 57.184 55.300 -0.049 0.000 1.102 173 M CB -0.374 32.014 32.600 -0.354 0.000 1.336 173 M HN 0.251 nan 8.290 nan 0.000 0.404 174 A N -0.649 122.348 122.820 0.295 0.000 1.975 174 A HA 0.095 4.415 4.320 -0.000 0.000 0.215 174 A C 1.824 179.511 177.584 0.171 0.000 1.170 174 A CA 0.984 53.219 52.037 0.330 0.000 0.656 174 A CB -0.167 19.067 19.000 0.391 0.000 0.821 174 A HN 0.485 nan 8.150 nan 0.000 0.449 175 L N -2.800 118.510 121.223 0.145 0.000 2.966 175 L HA 0.197 4.536 4.340 -0.000 0.000 0.262 175 L C 1.834 178.740 176.870 0.060 0.000 1.165 175 L CA -0.004 54.862 54.840 0.044 0.000 0.978 175 L CB 0.010 42.059 42.059 -0.017 0.000 1.337 175 L HN 0.442 nan 8.230 nan 0.000 0.563 176 Y N 1.561 121.880 120.300 0.032 0.000 2.128 176 Y HA -0.344 4.206 4.550 -0.000 0.000 0.284 176 Y C 2.247 178.180 175.900 0.055 0.000 1.154 176 Y CA 2.279 60.413 58.100 0.055 0.000 1.149 176 Y CB 0.058 38.540 38.460 0.038 0.000 0.976 176 Y HN 0.231 nan 8.280 nan 0.000 0.505 177 D N -0.706 119.725 120.400 0.052 0.000 2.097 177 D HA -0.173 4.466 4.640 -0.000 0.000 0.195 177 D C 2.255 178.488 176.300 -0.112 0.000 0.989 177 D CA 1.588 55.564 54.000 -0.040 0.000 0.827 177 D CB -0.298 40.531 40.800 0.048 0.000 0.966 177 D HN 0.255 nan 8.370 nan 0.000 0.456 178 V N 0.550 120.408 119.914 -0.093 0.000 2.255 178 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 178 V C 2.683 178.668 176.094 -0.182 0.000 1.051 178 V CA 1.914 64.137 62.300 -0.129 0.000 1.018 178 V CB -0.745 30.977 31.823 -0.168 0.000 0.641 178 V HN 0.350 nan 8.190 nan 0.000 0.445 179 V N -2.553 117.233 119.914 -0.214 0.000 3.141 179 V HA -0.059 4.061 4.120 -0.000 0.000 0.265 179 V C 1.931 177.875 176.094 -0.250 0.000 1.126 179 V CA 1.996 64.164 62.300 -0.220 0.000 1.141 179 V CB -0.264 31.451 31.823 -0.180 0.000 0.743 179 V HN 0.458 nan 8.190 nan 0.000 0.492 180 S N 0.118 115.661 115.700 -0.263 0.000 2.486 180 S HA 0.056 4.526 4.470 -0.000 0.000 0.220 180 S C 1.774 176.279 174.600 -0.160 0.000 1.011 180 S CA 1.166 59.229 58.200 -0.228 0.000 0.921 180 S CB 0.207 63.208 63.200 -0.333 0.000 0.785 180 S HN 0.774 nan 8.310 nan 0.000 0.517 181 T N 1.445 115.900 114.554 -0.166 0.000 3.058 181 T HA 0.281 4.631 4.350 -0.000 0.000 0.247 181 T C 1.652 176.249 174.700 -0.172 0.000 0.987 181 T CA -0.171 61.847 62.100 -0.136 0.000 1.062 181 T CB -0.198 68.616 68.868 -0.092 0.000 1.048 181 T HN 0.164 nan 8.240 nan 0.000 0.468 182 L N 2.067 123.187 121.223 -0.171 0.000 2.012 182 L HA -0.033 4.307 4.340 -0.000 0.000 0.210 182 L C -1.016 175.689 176.870 -0.274 0.000 1.073 182 L CA 1.712 56.453 54.840 -0.165 0.000 0.748 182 L CB -0.892 41.115 42.059 -0.086 0.000 0.891 182 L HN 0.123 nan 8.230 nan 0.000 0.431 183 P HA -0.261 nan 4.420 nan 0.000 0.215 183 P C 1.372 178.215 177.300 -0.761 0.000 1.163 183 P CA 1.515 64.164 63.100 -0.750 0.000 0.894 183 P CB -0.187 30.708 31.700 -1.342 0.000 0.791 184 Q N -0.051 119.349 119.800 -0.666 0.000 2.124 184 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 184 Q C 1.970 177.832 176.000 -0.230 0.000 0.977 184 Q CA 1.530 57.133 55.803 -0.334 0.000 0.850 184 Q CB -0.800 27.847 28.738 -0.152 0.000 0.901 184 Q HN 0.081 nan 8.270 nan 0.000 0.429 185 V N 0.106 119.895 119.914 -0.209 0.000 2.358 185 V HA -0.204 3.915 4.120 -0.000 0.000 0.246 185 V C 2.533 178.536 176.094 -0.150 0.000 1.047 185 V CA 1.461 63.675 62.300 -0.143 0.000 1.035 185 V CB -0.476 31.280 31.823 -0.112 0.000 0.658 185 V HN 0.130 nan 8.190 nan 0.000 0.452 186 V N -0.699 119.095 119.914 -0.200 0.000 2.379 186 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 186 V C 2.041 177.966 176.094 -0.282 0.000 1.044 186 V CA 2.066 64.246 62.300 -0.200 0.000 1.036 186 V CB -0.401 31.298 31.823 -0.206 0.000 0.664 186 V HN 0.475 nan 8.190 nan 0.000 0.453 187 M N -1.184 118.175 119.600 -0.402 0.000 2.382 187 M HA 0.361 4.841 4.480 -0.000 0.000 0.247 187 M C 1.465 177.616 176.300 -0.248 0.000 1.104 187 M CA 0.721 55.695 55.300 -0.543 0.000 1.030 187 M CB 0.424 32.564 32.600 -0.767 0.000 1.424 187 M HN 0.445 nan 8.290 nan 0.000 0.486 188 G N 1.725 110.422 108.800 -0.172 0.000 2.634 188 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.309 188 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.309 188 G C 0.868 175.705 174.900 -0.106 0.000 1.265 188 G CA 0.935 45.976 45.100 -0.099 0.000 0.998 188 G HN 0.533 nan 8.290 nan 0.000 0.551 189 S N -0.702 114.955 115.700 -0.072 0.000 2.469 189 S HA 0.036 4.506 4.470 -0.000 0.000 0.238 189 S C 2.204 176.638 174.600 -0.277 0.000 0.998 189 S CA 2.027 60.126 58.200 -0.167 0.000 0.957 189 S CB -0.147 63.018 63.200 -0.058 0.000 0.764 189 S HN 1.001 nan 8.310 nan 0.000 0.514 190 S N 0.183 115.837 115.700 -0.078 0.000 2.489 190 S HA 0.120 4.589 4.470 -0.000 0.000 0.228 190 S C 0.230 174.808 174.600 -0.038 0.000 0.995 190 S CA -0.091 58.118 58.200 0.014 0.000 0.934 190 S CB -0.412 62.906 63.200 0.197 0.000 0.771 190 S HN 0.691 nan 8.310 nan 0.000 0.522 191 Y N 3.054 123.190 120.300 -0.274 0.000 2.584 191 Y HA 0.422 4.972 4.550 -0.000 0.000 0.351 191 Y C 1.286 176.956 175.900 -0.383 0.000 1.030 191 Y CA -1.421 56.494 58.100 -0.309 0.000 1.332 191 Y CB -0.051 38.228 38.460 -0.301 0.000 1.148 191 Y HN 0.066 nan 8.280 nan 0.000 0.528 192 G N 4.518 112.900 108.800 -0.697 0.000 2.422 192 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.218 192 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.218 192 G C 1.074 175.433 174.900 -0.901 0.000 1.140 192 G CA 0.262 44.955 45.100 -0.679 0.000 0.775 192 G HN 0.639 nan 8.290 nan 0.000 0.545 193 F N 1.326 120.565 119.950 -1.184 0.000 2.771 193 F HA 0.043 4.570 4.527 0.000 0.000 0.299 193 F C 2.779 178.319 175.800 -0.433 0.000 1.177 193 F CA 0.847 58.256 58.000 -0.985 0.000 1.450 193 F CB -0.120 38.287 39.000 -0.987 0.000 1.114 193 F HN 0.391 nan 8.300 nan 0.000 0.587 194 Q N -0.946 118.595 119.800 -0.432 0.000 2.451 194 Q HA -0.037 4.303 4.340 -0.000 0.000 0.206 194 Q C -0.614 175.260 176.000 -0.210 0.000 0.947 194 Q CA 0.589 56.249 55.803 -0.239 0.000 0.937 194 Q CB -0.232 28.273 28.738 -0.389 0.000 1.025 194 Q HN 0.283 nan 8.270 nan 0.000 0.511 195 Y N 1.672 121.988 120.300 0.027 0.000 2.361 195 Y HA 0.345 4.894 4.550 -0.000 0.000 0.332 195 Y C 0.569 176.392 175.900 -0.128 0.000 1.101 195 Y CA -1.323 56.755 58.100 -0.036 0.000 1.137 195 Y CB 1.534 39.926 38.460 -0.113 0.000 1.207 195 Y HN 0.092 nan 8.280 nan 0.000 0.463 196 S N 2.101 117.625 115.700 -0.292 0.000 2.645 196 S HA 0.305 4.775 4.470 -0.000 0.000 0.266 196 S C -2.062 172.222 174.600 -0.528 0.000 1.258 196 S CA -1.132 56.362 58.200 -1.175 0.000 0.990 196 S CB 1.383 63.987 63.200 -0.994 0.000 0.967 196 S HN 0.406 nan 8.310 nan 0.000 0.556 197 P HA -0.047 nan 4.420 nan 0.000 0.215 197 P C 1.735 178.966 177.300 -0.115 0.000 1.157 197 P CA 1.860 64.842 63.100 -0.196 0.000 0.874 197 P CB -0.533 31.103 31.700 -0.106 0.000 0.790 198 G N -0.519 108.197 108.800 -0.140 0.000 2.422 198 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 198 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 198 G C 1.496 176.341 174.900 -0.092 0.000 1.146 198 G CA 0.579 45.639 45.100 -0.066 0.000 0.769 198 G HN 0.329 nan 8.290 nan 0.000 0.547 199 Q N -0.519 119.206 119.800 -0.125 0.000 2.167 199 Q HA 0.021 4.360 4.340 -0.000 0.000 0.202 199 Q C 2.570 178.399 176.000 -0.285 0.000 0.970 199 Q CA 0.756 56.489 55.803 -0.117 0.000 0.855 199 Q CB -0.106 28.649 28.738 0.029 0.000 0.911 199 Q HN 0.451 nan 8.270 nan 0.000 0.438 200 R N 0.479 120.843 120.500 -0.226 0.000 2.075 200 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 200 R C 2.087 178.281 176.300 -0.177 0.000 1.126 200 R CA 1.105 57.047 56.100 -0.263 0.000 0.963 200 R CB -0.086 30.168 30.300 -0.076 0.000 0.858 200 R HN 0.091 nan 8.270 nan 0.000 0.435 201 V N 1.476 121.316 119.914 -0.123 0.000 2.295 201 V HA -0.257 3.862 4.120 -0.000 0.000 0.246 201 V C 2.375 178.381 176.094 -0.147 0.000 1.049 201 V CA 2.281 64.512 62.300 -0.115 0.000 1.024 201 V CB -0.612 31.182 31.823 -0.049 0.000 0.648 201 V HN 0.509 nan 8.190 nan 0.000 0.447 202 E N -0.303 119.824 120.200 -0.121 0.000 2.058 202 E HA -0.295 4.055 4.350 -0.000 0.000 0.194 202 E C 2.129 178.656 176.600 -0.122 0.000 0.997 202 E CA 1.879 58.215 56.400 -0.108 0.000 0.801 202 E CB -0.265 29.395 29.700 -0.067 0.000 0.746 202 E HN 0.539 nan 8.360 nan 0.000 0.450 203 F N 1.154 120.909 119.950 -0.325 0.000 2.134 203 F HA -0.115 4.412 4.527 0.000 0.000 0.299 203 F C 1.912 177.584 175.800 -0.213 0.000 1.097 203 F CA 1.274 59.081 58.000 -0.321 0.000 1.264 203 F CB -0.196 38.445 39.000 -0.599 0.000 1.001 203 F HN 0.017 nan 8.300 nan 0.000 0.479 204 L N -0.840 120.221 121.223 -0.270 0.000 2.027 204 L HA -0.211 4.129 4.340 -0.000 0.000 0.206 204 L C 2.381 179.089 176.870 -0.269 0.000 1.074 204 L CA 1.080 55.745 54.840 -0.291 0.000 0.745 204 L CB -0.839 41.105 42.059 -0.192 0.000 0.898 204 L HN -0.014 nan 8.230 nan 0.000 0.433 205 V N 0.018 119.760 119.914 -0.287 0.000 2.343 205 V HA -0.250 3.869 4.120 -0.000 0.000 0.247 205 V C 2.194 178.180 176.094 -0.181 0.000 1.051 205 V CA 1.725 63.843 62.300 -0.304 0.000 1.036 205 V CB -0.658 30.867 31.823 -0.497 0.000 0.654 205 V HN 0.479 nan 8.190 nan 0.000 0.451 206 N N 0.003 118.581 118.700 -0.203 0.000 2.188 206 N HA -0.120 4.620 4.740 -0.000 0.000 0.184 206 N C 1.919 177.318 175.510 -0.186 0.000 1.018 206 N CA 1.828 54.783 53.050 -0.159 0.000 0.858 206 N CB -0.503 37.904 38.487 -0.133 0.000 0.989 206 N HN 0.440 nan 8.380 nan 0.000 0.426 207 T N 0.512 114.873 114.554 -0.322 0.000 2.777 207 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 207 T C 1.490 176.104 174.700 -0.143 0.000 1.040 207 T CA 0.565 62.468 62.100 -0.328 0.000 1.141 207 T CB -0.150 68.373 68.868 -0.575 0.000 0.868 207 T HN 0.424 nan 8.240 nan 0.000 0.444 208 W N 2.270 123.408 121.300 -0.271 0.000 2.355 208 W HA -0.094 4.565 4.660 -0.002 0.000 0.309 208 W C 1.720 178.152 176.519 -0.146 0.000 1.206 208 W CA 1.167 58.395 57.345 -0.194 0.000 1.284 208 W CB -0.148 29.192 29.460 -0.200 0.000 1.145 208 W HN 0.253 nan 8.180 nan 0.000 0.502 209 K N 0.290 120.709 120.400 0.031 0.000 2.365 209 K HA -0.116 4.204 4.320 -0.000 0.000 0.199 209 K C 2.060 178.606 176.600 -0.090 0.000 1.045 209 K CA 1.505 57.775 56.287 -0.029 0.000 0.962 209 K CB -0.277 32.222 32.500 -0.002 0.000 0.759 209 K HN 0.041 nan 8.250 nan 0.000 0.469 210 S N 0.445 116.077 115.700 -0.112 0.000 2.522 210 S HA 0.018 4.488 4.470 -0.000 0.000 0.227 210 S C 0.500 175.022 174.600 -0.130 0.000 0.986 210 S CA 0.232 58.368 58.200 -0.106 0.000 0.929 210 S CB 0.047 63.185 63.200 -0.103 0.000 0.769 210 S HN -0.039 nan 8.310 nan 0.000 0.529 211 K N 1.815 122.098 120.400 -0.195 0.000 2.130 211 K HA 0.387 4.707 4.320 -0.000 0.000 0.268 211 K C 0.529 177.013 176.600 -0.194 0.000 0.983 211 K CA -0.425 55.734 56.287 -0.214 0.000 0.893 211 K CB 1.231 33.539 32.500 -0.321 0.000 1.066 211 K HN 0.148 nan 8.250 nan 0.000 0.450 212 K N 0.991 121.306 120.400 -0.141 0.000 2.026 212 K HA -0.054 4.266 4.320 -0.000 0.000 0.208 212 K C 0.213 176.735 176.600 -0.129 0.000 1.048 212 K CA 1.143 57.364 56.287 -0.109 0.000 0.929 212 K CB 0.132 32.585 32.500 -0.077 0.000 0.713 212 K HN 0.416 nan 8.250 nan 0.000 0.439 213 N N 1.134 119.743 118.700 -0.151 0.000 2.690 213 N HA 0.191 4.931 4.740 -0.000 0.000 0.255 213 N C -2.864 172.508 175.510 -0.230 0.000 1.195 213 N CA -1.121 51.839 53.050 -0.150 0.000 0.790 213 N CB 1.683 40.121 38.487 -0.082 0.000 1.216 213 N HN 0.031 nan 8.380 nan 0.000 0.528 214 P HA 0.117 nan 4.420 nan 0.000 0.269 214 P C -0.297 176.657 177.300 -0.576 0.000 1.209 214 P CA -0.205 62.420 63.100 -0.791 0.000 0.776 214 P CB 1.238 31.865 31.700 -1.789 0.000 0.876 215 M N 1.981 121.320 119.600 -0.435 0.000 2.371 215 M HA 0.615 5.095 4.480 -0.000 0.000 0.287 215 M C -1.475 174.784 176.300 -0.068 0.000 1.149 215 M CA -0.244 54.932 55.300 -0.207 0.000 0.929 215 M CB 2.355 34.910 32.600 -0.076 0.000 1.683 215 M HN 0.597 nan 8.290 nan 0.000 0.470 216 G N 3.709 112.563 108.800 0.091 0.000 2.660 216 G HA2 0.849 4.809 3.960 -0.000 0.000 0.294 216 G HA3 0.849 4.809 3.960 -0.000 0.000 0.294 216 G C -2.046 172.942 174.900 0.146 0.000 1.369 216 G CA -0.632 44.544 45.100 0.126 0.000 0.912 216 G HN 0.848 nan 8.290 nan 0.000 0.479 217 F N -0.498 119.420 119.950 -0.054 0.000 2.654 217 F HA 0.789 5.317 4.527 0.001 0.000 0.308 217 F C -0.221 175.573 175.800 -0.009 0.000 1.108 217 F CA -1.446 56.523 58.000 -0.050 0.000 0.957 217 F CB 1.358 40.315 39.000 -0.070 0.000 1.309 217 F HN 0.631 nan 8.300 nan 0.000 0.446 218 S N 1.159 116.956 115.700 0.162 0.000 2.578 218 S HA 0.630 5.100 4.470 -0.000 0.000 0.283 218 S C -1.545 173.252 174.600 0.329 0.000 1.195 218 S CA -0.583 57.686 58.200 0.114 0.000 1.050 218 S CB 1.630 64.873 63.200 0.072 0.000 1.012 218 S HN 0.850 nan 8.310 nan 0.000 0.511 219 Y N 1.335 121.747 120.300 0.187 0.000 2.326 219 Y HA 0.434 4.983 4.550 -0.001 0.000 0.331 219 Y C -1.016 175.012 175.900 0.213 0.000 0.962 219 Y CA -0.880 57.395 58.100 0.292 0.000 1.167 219 Y CB 1.338 40.061 38.460 0.439 0.000 1.148 219 Y HN 0.857 nan 8.280 nan 0.000 0.463 220 D N 4.335 124.599 120.400 -0.226 0.000 2.396 220 D HA 0.228 4.868 4.640 -0.000 0.000 0.225 220 D C -0.702 175.472 176.300 -0.211 0.000 1.121 220 D CA -0.025 53.904 54.000 -0.119 0.000 0.853 220 D CB 0.973 41.730 40.800 -0.073 0.000 1.043 220 D HN 0.465 nan 8.370 nan 0.000 0.500 221 T N 3.889 118.488 114.554 0.076 0.000 2.869 221 T HA 0.138 4.488 4.350 -0.000 0.000 0.295 221 T C 0.328 175.121 174.700 0.156 0.000 0.987 221 T CA -0.562 61.654 62.100 0.193 0.000 1.109 221 T CB 0.795 69.981 68.868 0.530 0.000 0.932 221 T HN 0.286 nan 8.240 nan 0.000 0.518 222 R N 2.414 122.966 120.500 0.088 0.000 2.351 222 R HA 0.105 4.445 4.340 -0.000 0.000 0.318 222 R C -0.336 176.072 176.300 0.181 0.000 1.055 222 R CA -0.175 55.972 56.100 0.078 0.000 0.968 222 R CB -0.784 29.503 30.300 -0.022 0.000 0.974 222 R HN 0.969 nan 8.270 nan 0.000 0.439 223 C N 5.795 125.232 119.300 0.229 0.000 3.514 223 C HA -0.169 4.291 4.460 -0.000 0.000 0.286 223 C C 1.393 176.596 174.990 0.355 0.000 1.302 223 C CA 0.167 59.372 59.018 0.310 0.000 2.239 223 C CB -3.108 24.877 27.740 0.408 0.000 1.429 223 C HN 1.003 nan 8.230 nan 0.000 0.565 224 F N 2.034 122.103 119.950 0.198 0.000 2.087 224 F HA -0.214 4.312 4.527 -0.001 0.000 0.299 224 F C 1.970 177.878 175.800 0.180 0.000 1.100 224 F CA 2.511 60.626 58.000 0.193 0.000 1.226 224 F CB -0.037 39.066 39.000 0.172 0.000 0.983 224 F HN 0.481 nan 8.300 nan 0.000 0.479 225 D N -0.415 120.253 120.400 0.448 0.000 2.133 225 D HA -0.180 4.460 4.640 -0.000 0.000 0.195 225 D C 2.448 178.823 176.300 0.125 0.000 0.997 225 D CA 1.757 55.937 54.000 0.301 0.000 0.840 225 D CB -0.594 40.370 40.800 0.273 0.000 0.947 225 D HN 0.264 nan 8.370 nan 0.000 0.452 226 S N -0.539 115.241 115.700 0.134 0.000 2.453 226 S HA -0.095 4.375 4.470 -0.000 0.000 0.231 226 S C 2.003 176.560 174.600 -0.073 0.000 1.005 226 S CA 1.339 59.511 58.200 -0.047 0.000 0.949 226 S CB -0.181 62.963 63.200 -0.093 0.000 0.774 226 S HN 0.528 nan 8.310 nan 0.000 0.510 227 T N -0.550 114.039 114.554 0.058 0.000 3.088 227 T HA 0.134 4.484 4.350 -0.000 0.000 0.259 227 T C 0.612 175.244 174.700 -0.113 0.000 1.122 227 T CA 0.016 62.138 62.100 0.036 0.000 1.095 227 T CB -0.389 68.452 68.868 -0.045 0.000 0.930 227 T HN 0.032 nan 8.240 nan 0.000 0.508 228 V N 4.032 123.852 119.914 -0.158 0.000 2.479 228 V HA 0.320 4.439 4.120 -0.000 0.000 0.281 228 V C 1.161 177.211 176.094 -0.074 0.000 1.031 228 V CA -0.218 62.014 62.300 -0.115 0.000 1.038 228 V CB 0.118 31.921 31.823 -0.033 0.000 0.981 228 V HN 0.721 nan 8.190 nan 0.000 0.478 229 T N 0.856 115.380 114.554 -0.051 0.000 2.897 229 T HA 0.316 4.665 4.350 -0.000 0.000 0.278 229 T C 1.031 175.717 174.700 -0.024 0.000 0.981 229 T CA -0.292 61.782 62.100 -0.043 0.000 0.973 229 T CB 1.478 70.327 68.868 -0.033 0.000 1.092 229 T HN 0.675 nan 8.240 nan 0.000 0.543 230 E N 0.304 120.491 120.200 -0.022 0.000 2.077 230 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 230 E C 1.953 178.555 176.600 0.003 0.000 0.989 230 E CA 1.513 57.910 56.400 -0.004 0.000 0.800 230 E CB -0.227 29.470 29.700 -0.004 0.000 0.746 230 E HN 0.765 nan 8.360 nan 0.000 0.452 231 N N 0.707 119.404 118.700 -0.004 0.000 2.069 231 N HA -0.203 4.537 4.740 -0.000 0.000 0.191 231 N C 1.466 176.988 175.510 0.021 0.000 1.031 231 N CA 2.107 55.158 53.050 0.003 0.000 0.852 231 N CB -0.112 38.366 38.487 -0.016 0.000 1.018 231 N HN 0.124 nan 8.380 nan 0.000 0.423 232 D N 0.099 120.511 120.400 0.020 0.000 2.123 232 D HA -0.124 4.516 4.640 -0.000 0.000 0.196 232 D C 1.953 178.265 176.300 0.019 0.000 0.992 232 D CA 1.072 55.095 54.000 0.038 0.000 0.833 232 D CB -0.275 40.543 40.800 0.029 0.000 0.954 232 D HN 0.473 nan 8.370 nan 0.000 0.455 233 I N 0.449 121.030 120.570 0.019 0.000 2.394 233 I HA -0.163 4.006 4.170 -0.000 0.000 0.251 233 I C 2.440 178.562 176.117 0.008 0.000 1.136 233 I CA 0.779 62.095 61.300 0.025 0.000 1.425 233 I CB -0.058 37.980 38.000 0.063 0.000 1.079 233 I HN -0.115 nan 8.210 nan 0.000 0.425 234 R N 0.020 120.525 120.500 0.009 0.000 2.119 234 R HA -0.040 4.300 4.340 -0.000 0.000 0.222 234 R C 2.333 178.611 176.300 -0.036 0.000 1.088 234 R CA 0.827 56.926 56.100 -0.000 0.000 0.984 234 R CB -0.224 30.082 30.300 0.010 0.000 0.884 234 R HN 0.189 nan 8.270 nan 0.000 0.447 235 V N 1.392 121.288 119.914 -0.029 0.000 2.343 235 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 235 V C 1.904 177.909 176.094 -0.149 0.000 1.051 235 V CA 1.785 64.056 62.300 -0.048 0.000 1.036 235 V CB -0.350 31.481 31.823 0.014 0.000 0.654 235 V HN 0.336 nan 8.190 nan 0.000 0.451 236 E N -0.327 119.754 120.200 -0.198 0.000 2.085 236 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 236 E C 2.336 178.461 176.600 -0.793 0.000 0.994 236 E CA 1.410 57.542 56.400 -0.446 0.000 0.801 236 E CB -0.155 29.334 29.700 -0.351 0.000 0.743 236 E HN 0.609 nan 8.360 nan 0.000 0.453 237 E N 0.539 120.482 120.200 -0.427 0.000 2.077 237 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 237 E C 2.167 178.672 176.600 -0.158 0.000 0.989 237 E CA 1.498 57.757 56.400 -0.235 0.000 0.800 237 E CB 0.011 29.723 29.700 0.019 0.000 0.746 237 E HN 0.226 nan 8.360 nan 0.000 0.452 238 S N 0.355 115.977 115.700 -0.131 0.000 2.400 238 S HA -0.156 4.314 4.470 -0.000 0.000 0.232 238 S C 2.051 176.601 174.600 -0.083 0.000 1.025 238 S CA 1.041 59.198 58.200 -0.071 0.000 0.993 238 S CB -0.525 62.643 63.200 -0.054 0.000 0.808 238 S HN 0.290 nan 8.310 nan 0.000 0.478 239 I N 0.002 120.468 120.570 -0.173 0.000 2.233 239 I HA -0.106 4.064 4.170 -0.000 0.000 0.243 239 I C 2.324 178.435 176.117 -0.011 0.000 1.093 239 I CA 1.211 62.435 61.300 -0.127 0.000 1.380 239 I CB -0.493 37.395 38.000 -0.187 0.000 1.067 239 I HN 0.219 nan 8.210 nan 0.000 0.413 240 Y N 1.085 121.381 120.300 -0.006 0.000 2.165 240 Y HA -0.225 4.325 4.550 -0.000 0.000 0.286 240 Y C 2.642 178.547 175.900 0.008 0.000 1.155 240 Y CA 0.659 58.759 58.100 0.000 0.000 1.164 240 Y CB -1.146 37.327 38.460 0.023 0.000 0.978 240 Y HN 0.230 nan 8.280 nan 0.000 0.513 241 Q N -1.120 118.777 119.800 0.161 0.000 2.439 241 Q HA -0.127 4.213 4.340 -0.000 0.000 0.211 241 Q C 2.278 178.313 176.000 0.059 0.000 0.978 241 Q CA 0.895 56.756 55.803 0.097 0.000 0.897 241 Q CB -0.783 27.994 28.738 0.066 0.000 0.956 241 Q HN 0.521 nan 8.270 nan 0.000 0.483 242 C N 0.033 119.361 119.300 0.047 0.000 2.448 242 C HA -0.016 4.444 4.460 -0.000 0.000 0.280 242 C C 1.585 176.592 174.990 0.029 0.000 1.398 242 C CA -0.722 58.311 59.018 0.026 0.000 1.774 242 C CB -0.629 27.116 27.740 0.009 0.000 1.888 242 C HN 0.415 nan 8.230 nan 0.000 0.519 243 C N 1.918 121.245 119.300 0.045 0.000 2.727 243 C HA 0.102 4.562 4.460 -0.000 0.000 0.401 243 C C 0.592 175.602 174.990 0.032 0.000 1.294 243 C CA -0.200 58.839 59.018 0.035 0.000 2.134 243 C CB -0.238 27.528 27.740 0.043 0.000 2.724 243 C HN 0.506 nan 8.230 nan 0.000 0.677 244 D N 1.795 122.209 120.400 0.023 0.000 2.352 244 D HA 0.445 5.085 4.640 -0.000 0.000 0.245 244 D C -0.673 175.645 176.300 0.030 0.000 1.224 244 D CA 0.315 54.329 54.000 0.023 0.000 0.879 244 D CB 0.053 40.862 40.800 0.016 0.000 1.057 244 D HN 0.402 nan 8.370 nan 0.000 0.491 245 L N 1.981 123.226 121.223 0.038 0.000 2.371 245 L HA 0.651 4.991 4.340 -0.000 0.000 0.262 245 L C 0.374 177.274 176.870 0.050 0.000 1.006 245 L CA -1.405 53.464 54.840 0.048 0.000 0.818 245 L CB 1.826 43.920 42.059 0.060 0.000 1.354 245 L HN 0.308 nan 8.230 nan 0.000 0.415 246 A N 1.655 124.511 122.820 0.060 0.000 2.407 246 A HA 0.407 4.727 4.320 -0.000 0.000 0.248 246 A C -1.829 175.798 177.584 0.072 0.000 1.082 246 A CA -0.936 51.139 52.037 0.064 0.000 0.785 246 A CB -0.038 19.007 19.000 0.075 0.000 1.020 246 A HN 0.635 nan 8.150 nan 0.000 0.489 247 P HA -0.194 nan 4.420 nan 0.000 0.216 247 P C 1.181 178.521 177.300 0.066 0.000 1.154 247 P CA 1.734 64.866 63.100 0.053 0.000 0.865 247 P CB 0.201 31.928 31.700 0.044 0.000 0.789 248 E N -1.006 119.259 120.200 0.107 0.000 2.110 248 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 248 E C 2.030 178.726 176.600 0.160 0.000 0.988 248 E CA 1.019 57.510 56.400 0.152 0.000 0.804 248 E CB -0.409 29.470 29.700 0.298 0.000 0.745 248 E HN 0.122 nan 8.360 nan 0.000 0.458 249 A N 1.150 124.084 122.820 0.189 0.000 1.898 249 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 249 A C 2.022 179.660 177.584 0.091 0.000 1.181 249 A CA 1.119 53.267 52.037 0.185 0.000 0.620 249 A CB -0.316 18.781 19.000 0.161 0.000 0.819 249 A HN 0.095 nan 8.150 nan 0.000 0.442 250 R N -1.062 119.479 120.500 0.068 0.000 2.081 250 R HA -0.188 4.151 4.340 -0.000 0.000 0.235 250 R C 2.503 178.810 176.300 0.013 0.000 1.131 250 R CA 1.734 57.863 56.100 0.048 0.000 0.960 250 R CB -0.282 30.043 30.300 0.041 0.000 0.856 250 R HN 0.653 nan 8.270 nan 0.000 0.436 251 Q N 0.677 120.466 119.800 -0.020 0.000 2.046 251 Q HA -0.086 4.254 4.340 -0.000 0.000 0.200 251 Q C 1.948 177.865 176.000 -0.138 0.000 0.975 251 Q CA 2.005 57.764 55.803 -0.073 0.000 0.836 251 Q CB -0.234 28.449 28.738 -0.093 0.000 0.896 251 Q HN 0.329 nan 8.270 nan 0.000 0.428 252 A N 0.156 122.850 122.820 -0.210 0.000 1.902 252 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 252 A C 2.127 179.626 177.584 -0.141 0.000 1.181 252 A CA 1.526 53.363 52.037 -0.334 0.000 0.623 252 A CB -0.738 17.925 19.000 -0.561 0.000 0.818 252 A HN 0.494 nan 8.150 nan 0.000 0.443 253 I N -0.640 119.918 120.570 -0.020 0.000 2.315 253 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 253 I C 2.524 178.685 176.117 0.073 0.000 1.117 253 I CA 1.739 63.085 61.300 0.077 0.000 1.404 253 I CB -0.216 37.866 38.000 0.136 0.000 1.071 253 I HN 0.397 nan 8.210 nan 0.000 0.419 254 K N 0.593 121.009 120.400 0.026 0.000 2.026 254 K HA -0.211 4.108 4.320 -0.000 0.000 0.208 254 K C 2.372 178.956 176.600 -0.027 0.000 1.048 254 K CA 1.871 58.168 56.287 0.017 0.000 0.929 254 K CB -0.132 32.366 32.500 -0.003 0.000 0.713 254 K HN 0.105 nan 8.250 nan 0.000 0.439 255 S N 0.661 116.312 115.700 -0.081 0.000 2.356 255 S HA -0.092 4.378 4.470 -0.000 0.000 0.223 255 S C 1.978 176.487 174.600 -0.152 0.000 1.032 255 S CA 1.115 59.244 58.200 -0.118 0.000 1.005 255 S CB -0.265 62.834 63.200 -0.169 0.000 0.867 255 S HN 0.360 nan 8.310 nan 0.000 0.449 256 L N 0.644 121.748 121.223 -0.198 0.000 2.046 256 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 256 L C 2.781 179.370 176.870 -0.469 0.000 1.077 256 L CA 1.597 56.202 54.840 -0.391 0.000 0.747 256 L CB -1.010 40.781 42.059 -0.446 0.000 0.896 256 L HN 0.349 nan 8.230 nan 0.000 0.432 257 T N -0.958 113.515 114.554 -0.135 0.000 2.674 257 T HA -0.159 4.191 4.350 -0.000 0.000 0.265 257 T C 1.794 176.505 174.700 0.018 0.000 1.039 257 T CA 1.214 63.368 62.100 0.089 0.000 1.150 257 T CB -0.096 68.888 68.868 0.195 0.000 0.864 257 T HN 0.297 nan 8.240 nan 0.000 0.427 258 E N 1.183 121.373 120.200 -0.016 0.000 2.072 258 E HA -0.054 4.296 4.350 -0.000 0.000 0.191 258 E C 2.371 178.953 176.600 -0.030 0.000 0.985 258 E CA 1.039 57.432 56.400 -0.013 0.000 0.801 258 E CB -0.169 29.520 29.700 -0.019 0.000 0.750 258 E HN 0.486 nan 8.360 nan 0.000 0.452 259 R N -0.438 120.017 120.500 -0.075 0.000 2.210 259 R HA 0.092 4.431 4.340 -0.000 0.000 0.203 259 R C 1.883 178.125 176.300 -0.097 0.000 1.010 259 R CA 0.357 56.413 56.100 -0.074 0.000 1.008 259 R CB 0.220 30.467 30.300 -0.087 0.000 0.923 259 R HN 0.055 nan 8.270 nan 0.000 0.469 260 L N -2.194 118.930 121.223 -0.165 0.000 2.775 260 L HA 0.182 4.522 4.340 -0.000 0.000 0.175 260 L C 1.308 178.159 176.870 -0.031 0.000 1.110 260 L CA 0.666 55.409 54.840 -0.161 0.000 0.862 260 L CB -0.334 41.547 42.059 -0.296 0.000 1.381 260 L HN -0.152 nan 8.230 nan 0.000 0.499 261 Y N 0.649 120.966 120.300 0.029 0.000 2.207 261 Y HA -0.125 4.425 4.550 -0.000 0.000 0.287 261 Y C 2.570 178.478 175.900 0.013 0.000 1.156 261 Y CA 1.591 59.716 58.100 0.041 0.000 1.182 261 Y CB -1.041 37.469 38.460 0.083 0.000 0.979 261 Y HN 0.158 nan 8.280 nan 0.000 0.521 262 I N -1.042 119.615 120.570 0.145 0.000 2.394 262 I HA -0.034 4.136 4.170 -0.000 0.000 0.251 262 I C 1.243 177.368 176.117 0.014 0.000 1.136 262 I CA 1.253 62.596 61.300 0.072 0.000 1.425 262 I CB -0.393 37.641 38.000 0.056 0.000 1.079 262 I HN 0.313 nan 8.210 nan 0.000 0.425 263 G N -0.914 107.872 108.800 -0.024 0.000 2.341 263 G HA2 0.468 4.428 3.960 -0.000 0.000 0.293 263 G HA3 0.468 4.428 3.960 -0.000 0.000 0.293 263 G C -0.975 173.758 174.900 -0.279 0.000 1.298 263 G CA -0.211 44.797 45.100 -0.153 0.000 0.868 263 G HN 0.414 nan 8.290 nan 0.000 0.540 264 G N -0.963 107.388 108.800 -0.748 0.000 2.320 264 G HA2 0.719 4.679 3.960 -0.000 0.000 0.297 264 G HA3 0.719 4.679 3.960 -0.000 0.000 0.297 264 G C -3.441 170.853 174.900 -1.010 0.000 1.344 264 G CA 0.149 44.788 45.100 -0.768 0.000 0.851 264 G HN 0.812 nan 8.290 nan 0.000 0.567 265 P HA 0.436 nan 4.420 nan 0.000 0.272 265 P C -0.592 176.624 177.300 -0.139 0.000 1.223 265 P CA -0.108 62.903 63.100 -0.149 0.000 0.784 265 P CB 1.243 32.974 31.700 0.052 0.000 0.923 266 L N 2.205 123.389 121.223 -0.066 0.000 2.333 266 L HA 0.446 4.786 4.340 -0.000 0.000 0.280 266 L C 0.416 177.290 176.870 0.005 0.000 1.004 266 L CA -0.258 54.565 54.840 -0.029 0.000 0.820 266 L CB 1.777 43.852 42.059 0.028 0.000 1.247 266 L HN 0.286 nan 8.230 nan 0.000 0.416 267 T N 1.291 115.827 114.554 -0.031 0.000 2.829 267 T HA 0.349 4.699 4.350 -0.000 0.000 0.280 267 T C -0.209 174.473 174.700 -0.030 0.000 0.999 267 T CA -0.851 61.234 62.100 -0.025 0.000 0.983 267 T CB 1.546 70.382 68.868 -0.054 0.000 0.968 267 T HN 0.633 nan 8.240 nan 0.000 0.446 268 N N 0.604 119.303 118.700 -0.002 0.000 2.364 268 N HA 0.134 4.874 4.740 -0.000 0.000 0.264 268 N C 1.436 176.936 175.510 -0.015 0.000 1.263 268 N CA -0.360 52.691 53.050 0.001 0.000 0.959 268 N CB 0.094 38.592 38.487 0.017 0.000 1.204 268 N HN 0.469 nan 8.380 nan 0.000 0.550 269 S N -1.117 114.584 115.700 0.001 0.000 2.442 269 S HA -0.123 4.347 4.470 -0.000 0.000 0.236 269 S C 1.156 175.751 174.600 -0.008 0.000 1.007 269 S CA 0.766 58.967 58.200 0.002 0.000 0.965 269 S CB -0.427 62.789 63.200 0.026 0.000 0.773 269 S HN 0.619 nan 8.310 nan 0.000 0.504 270 K N 0.544 120.940 120.400 -0.006 0.000 2.418 270 K HA 0.238 4.558 4.320 -0.000 0.000 0.195 270 K C 1.312 177.903 176.600 -0.016 0.000 1.035 270 K CA 0.449 56.731 56.287 -0.008 0.000 1.003 270 K CB -0.147 32.352 32.500 -0.001 0.000 0.793 270 K HN 0.572 nan 8.250 nan 0.000 0.494 271 G N 1.407 110.194 108.800 -0.022 0.000 2.159 271 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.227 271 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.227 271 G C -0.321 174.572 174.900 -0.013 0.000 0.986 271 G CA -0.299 44.784 45.100 -0.028 0.000 0.651 271 G HN 0.300 nan 8.290 nan 0.000 0.523 272 Q N 0.124 119.924 119.800 -0.000 0.000 2.259 272 Q HA 0.335 4.675 4.340 -0.000 0.000 0.246 272 Q C 0.360 176.375 176.000 0.025 0.000 0.920 272 Q CA -0.527 55.284 55.803 0.014 0.000 0.895 272 Q CB 1.034 29.784 28.738 0.020 0.000 1.220 272 Q HN 0.406 nan 8.270 nan 0.000 0.439 273 N N 1.287 120.009 118.700 0.035 0.000 2.431 273 N HA 0.013 4.753 4.740 -0.000 0.000 0.265 273 N C -0.214 175.345 175.510 0.083 0.000 1.184 273 N CA -0.404 52.677 53.050 0.052 0.000 0.943 273 N CB 0.527 39.046 38.487 0.053 0.000 1.080 273 N HN 0.577 nan 8.380 nan 0.000 0.477 274 C N 2.925 122.290 119.300 0.109 0.000 2.674 274 C HA 0.421 4.881 4.460 -0.000 0.000 0.276 274 C C 1.187 176.335 174.990 0.263 0.000 1.300 274 C CA 0.520 59.655 59.018 0.194 0.000 1.732 274 C CB -0.993 26.885 27.740 0.230 0.000 2.076 274 C HN 0.973 nan 8.230 nan 0.000 0.548 275 G N -1.364 107.522 108.800 0.144 0.000 2.373 275 G HA2 0.283 4.242 3.960 -0.000 0.000 0.250 275 G HA3 0.283 4.242 3.960 -0.000 0.000 0.250 275 G C -2.145 172.784 174.900 0.049 0.000 1.304 275 G CA -0.423 44.715 45.100 0.064 0.000 0.948 275 G HN 0.012 nan 8.290 nan 0.000 0.474 276 Y N 0.704 120.884 120.300 -0.200 0.000 2.457 276 Y HA 0.761 5.310 4.550 -0.001 0.000 0.343 276 Y C 0.080 175.859 175.900 -0.201 0.000 0.994 276 Y CA -0.852 57.155 58.100 -0.155 0.000 1.031 276 Y CB 1.986 40.369 38.460 -0.128 0.000 1.246 276 Y HN 0.709 nan 8.280 nan 0.000 0.449 277 R N 4.725 124.949 120.500 -0.460 0.000 2.460 277 R HA 0.562 4.902 4.340 -0.000 0.000 0.303 277 R C -0.723 175.365 176.300 -0.354 0.000 0.968 277 R CA -0.559 55.295 56.100 -0.411 0.000 0.889 277 R CB 0.917 31.046 30.300 -0.285 0.000 1.123 277 R HN 0.926 nan 8.270 nan 0.000 0.455 278 R N 3.111 123.402 120.500 -0.348 0.000 2.642 278 R HA 0.211 4.551 4.340 -0.000 0.000 0.435 278 R C -0.540 175.621 176.300 -0.232 0.000 1.046 278 R CA -0.312 55.677 56.100 -0.184 0.000 1.103 278 R CB 0.507 30.747 30.300 -0.100 0.000 1.425 278 R HN 0.790 nan 8.270 nan 0.000 0.586 279 C N -1.688 117.426 119.300 -0.311 0.000 3.308 279 C HA 0.630 5.090 4.460 -0.000 0.000 0.360 279 C C -0.174 174.746 174.990 -0.116 0.000 1.695 279 C CA -1.507 57.372 59.018 -0.232 0.000 1.366 279 C CB 1.214 28.747 27.740 -0.346 0.000 2.121 279 C HN 0.354 nan 8.230 nan 0.000 0.442 280 R N 1.212 121.694 120.500 -0.029 0.000 2.522 280 R HA 0.473 4.812 4.340 -0.000 0.000 0.284 280 R C 0.022 176.375 176.300 0.089 0.000 1.032 280 R CA 0.957 57.093 56.100 0.061 0.000 1.049 280 R CB -0.080 30.299 30.300 0.132 0.000 0.956 280 R HN 1.189 nan 8.270 nan 0.000 0.422 281 A N 3.555 126.445 122.820 0.117 0.000 2.320 281 A HA 0.242 4.562 4.320 -0.000 0.000 0.287 281 A C 0.903 178.588 177.584 0.168 0.000 1.181 281 A CA 0.017 52.145 52.037 0.152 0.000 0.831 281 A CB 0.522 19.625 19.000 0.172 0.000 1.102 281 A HN 1.007 nan 8.150 nan 0.000 0.513 282 S N 1.947 117.760 115.700 0.190 0.000 2.522 282 S HA 0.103 4.573 4.470 -0.000 0.000 0.227 282 S C 1.023 175.721 174.600 0.164 0.000 0.986 282 S CA 0.681 58.987 58.200 0.177 0.000 0.929 282 S CB 0.092 63.404 63.200 0.187 0.000 0.769 282 S HN 1.247 nan 8.310 nan 0.000 0.529 283 G N 1.741 110.661 108.800 0.199 0.000 4.433 283 G HA2 0.525 4.485 3.960 -0.000 0.000 0.304 283 G HA3 0.525 4.485 3.960 -0.000 0.000 0.304 283 G C -0.177 174.851 174.900 0.214 0.000 1.254 283 G CA -0.130 45.091 45.100 0.200 0.000 0.999 283 G HN 0.553 nan 8.290 nan 0.000 0.576 284 V N -2.477 117.548 119.914 0.185 0.000 3.046 284 V HA 0.578 4.698 4.120 -0.000 0.000 0.316 284 V C 1.382 177.561 176.094 0.142 0.000 1.104 284 V CA -0.968 61.460 62.300 0.213 0.000 1.006 284 V CB 1.714 33.725 31.823 0.313 0.000 1.058 284 V HN 0.067 nan 8.190 nan 0.000 0.440 285 L N 2.263 123.585 121.223 0.165 0.000 2.127 285 L HA -0.058 4.281 4.340 -0.000 0.000 0.211 285 L C 2.267 179.156 176.870 0.032 0.000 1.089 285 L CA 3.027 57.944 54.840 0.127 0.000 0.757 285 L CB -0.648 41.512 42.059 0.169 0.000 0.899 285 L HN 1.102 nan 8.230 nan 0.000 0.434 286 T N -5.984 108.516 114.554 -0.090 0.000 3.169 286 T HA 0.020 4.369 4.350 -0.000 0.000 0.250 286 T C 1.509 176.153 174.700 -0.093 0.000 1.111 286 T CA 0.647 62.639 62.100 -0.180 0.000 1.010 286 T CB -0.669 67.929 68.868 -0.450 0.000 0.984 286 T HN 0.269 nan 8.240 nan 0.000 0.537 287 T N 1.792 116.329 114.554 -0.028 0.000 2.674 287 T HA -0.141 4.208 4.350 -0.000 0.000 0.265 287 T C 2.195 176.915 174.700 0.033 0.000 1.039 287 T CA 1.709 63.827 62.100 0.029 0.000 1.150 287 T CB -0.611 68.298 68.868 0.068 0.000 0.864 287 T HN 0.535 nan 8.240 nan 0.000 0.427 288 S N -0.176 115.522 115.700 -0.004 0.000 2.345 288 S HA -0.151 4.319 4.470 -0.000 0.000 0.220 288 S C 2.455 177.076 174.600 0.034 0.000 1.031 288 S CA 1.394 59.583 58.200 -0.019 0.000 0.996 288 S CB -0.959 62.128 63.200 -0.188 0.000 0.882 288 S HN 0.666 nan 8.310 nan 0.000 0.445 289 C N 1.324 120.618 119.300 -0.010 0.000 2.432 289 C HA 0.073 4.532 4.460 -0.000 0.000 0.277 289 C C 2.829 177.869 174.990 0.083 0.000 1.249 289 C CA 1.179 60.209 59.018 0.021 0.000 1.725 289 C CB -1.818 25.900 27.740 -0.037 0.000 2.028 289 C HN 0.717 nan 8.230 nan 0.000 0.477 290 G N 0.463 109.319 108.800 0.093 0.000 2.421 290 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 290 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 290 G C 1.510 176.498 174.900 0.147 0.000 1.171 290 G CA 1.136 46.305 45.100 0.116 0.000 0.775 290 G HN 0.594 nan 8.290 nan 0.000 0.543 291 N N 0.389 119.176 118.700 0.145 0.000 2.120 291 N HA -0.074 4.666 4.740 -0.000 0.000 0.188 291 N C 2.419 177.971 175.510 0.070 0.000 1.024 291 N CA 1.607 54.744 53.050 0.144 0.000 0.852 291 N CB -0.761 37.700 38.487 -0.044 0.000 1.003 291 N HN 0.252 nan 8.380 nan 0.000 0.424 292 T N 1.751 116.359 114.554 0.090 0.000 2.708 292 T HA -0.022 4.328 4.350 -0.000 0.000 0.266 292 T C 2.122 176.909 174.700 0.144 0.000 1.037 292 T CA 0.727 62.900 62.100 0.122 0.000 1.146 292 T CB -0.325 68.680 68.868 0.229 0.000 0.865 292 T HN 0.129 nan 8.240 nan 0.000 0.435 293 L N 0.629 121.919 121.223 0.111 0.000 2.017 293 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 293 L C 2.959 179.928 176.870 0.164 0.000 1.073 293 L CA 1.332 56.229 54.840 0.095 0.000 0.745 293 L CB -1.085 40.993 42.059 0.031 0.000 0.894 293 L HN 0.283 nan 8.230 nan 0.000 0.432 294 T N -1.397 113.271 114.554 0.190 0.000 2.821 294 T HA -0.219 4.130 4.350 -0.000 0.000 0.267 294 T C 2.007 176.898 174.700 0.318 0.000 1.046 294 T CA 1.396 63.637 62.100 0.235 0.000 1.139 294 T CB -0.415 68.623 68.868 0.284 0.000 0.871 294 T HN 0.460 nan 8.240 nan 0.000 0.454 295 C N 0.622 120.162 119.300 0.400 0.000 2.453 295 C HA -0.069 4.391 4.460 -0.000 0.000 0.277 295 C C 2.383 177.528 174.990 0.258 0.000 1.262 295 C CA 0.439 59.689 59.018 0.386 0.000 1.718 295 C CB -1.387 26.474 27.740 0.201 0.000 2.031 295 C HN 0.651 nan 8.230 nan 0.000 0.480 296 Y N 1.132 121.494 120.300 0.102 0.000 2.145 296 Y HA -0.130 4.420 4.550 0.000 0.000 0.286 296 Y C 2.169 178.083 175.900 0.024 0.000 1.145 296 Y CA 2.153 60.289 58.100 0.059 0.000 1.148 296 Y CB -0.631 37.849 38.460 0.032 0.000 0.981 296 Y HN 0.343 nan 8.280 nan 0.000 0.507 297 L N 1.035 122.305 121.223 0.079 0.000 1.994 297 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 297 L C 2.140 178.894 176.870 -0.193 0.000 1.071 297 L CA 2.057 56.825 54.840 -0.121 0.000 0.745 297 L CB -0.897 41.082 42.059 -0.133 0.000 0.892 297 L HN 0.153 nan 8.230 nan 0.000 0.431 298 K N -0.442 119.918 120.400 -0.066 0.000 2.026 298 K HA -0.084 4.236 4.320 -0.000 0.000 0.208 298 K C 2.093 178.688 176.600 -0.007 0.000 1.048 298 K CA 1.377 57.629 56.287 -0.058 0.000 0.929 298 K CB -0.457 32.106 32.500 0.105 0.000 0.713 298 K HN 0.497 nan 8.250 nan 0.000 0.439 299 A N 1.091 123.918 122.820 0.012 0.000 1.902 299 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 299 A C 2.236 179.847 177.584 0.044 0.000 1.181 299 A CA 1.763 53.844 52.037 0.073 0.000 0.623 299 A CB -0.518 18.585 19.000 0.172 0.000 0.818 299 A HN 0.164 nan 8.150 nan 0.000 0.443 300 S N -0.194 115.404 115.700 -0.170 0.000 2.368 300 S HA -0.050 4.420 4.470 -0.000 0.000 0.225 300 S C 2.287 176.822 174.600 -0.108 0.000 1.030 300 S CA 1.227 59.286 58.200 -0.235 0.000 0.999 300 S CB -0.417 62.463 63.200 -0.532 0.000 0.844 300 S HN 0.791 nan 8.310 nan 0.000 0.459 301 A N 1.284 124.051 122.820 -0.089 0.000 1.930 301 A HA 0.220 4.540 4.320 -0.000 0.000 0.217 301 A C 2.302 179.952 177.584 0.109 0.000 1.175 301 A CA 1.505 53.552 52.037 0.017 0.000 0.627 301 A CB -0.895 18.101 19.000 -0.008 0.000 0.815 301 A HN 0.499 nan 8.150 nan 0.000 0.443 302 A N -0.902 121.994 122.820 0.127 0.000 1.930 302 A HA -0.182 4.137 4.320 -0.000 0.000 0.217 302 A C 2.370 180.003 177.584 0.081 0.000 1.175 302 A CA 1.602 53.602 52.037 -0.062 0.000 0.627 302 A CB -1.392 17.202 19.000 -0.676 0.000 0.815 302 A HN 0.940 nan 8.150 nan 0.000 0.443 303 c N 0.022 118.762 118.600 0.233 0.000 2.425 303 c HA -0.068 4.502 4.570 -0.000 0.000 0.277 303 c C 2.799 176.911 174.090 0.037 0.000 1.280 303 c CA 1.339 57.816 56.329 0.247 0.000 1.744 303 c CB -1.286 41.315 42.510 0.152 0.000 1.989 303 c HN 0.628 nan 8.230 nan 0.000 0.491 304 R N 0.836 121.262 120.500 -0.123 0.000 2.073 304 R HA 0.010 4.350 4.340 -0.000 0.000 0.229 304 R C 2.601 178.652 176.300 -0.414 0.000 1.120 304 R CA 1.485 57.373 56.100 -0.354 0.000 0.967 304 R CB -0.600 29.302 30.300 -0.664 0.000 0.862 304 R HN 0.609 nan 8.270 nan 0.000 0.436 305 A N 1.406 124.037 122.820 -0.316 0.000 1.902 305 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 305 A C 2.213 179.799 177.584 0.005 0.000 1.181 305 A CA 1.718 53.725 52.037 -0.050 0.000 0.623 305 A CB -0.449 18.577 19.000 0.043 0.000 0.818 305 A HN 0.383 nan 8.150 nan 0.000 0.443 306 A N -1.488 121.349 122.820 0.028 0.000 2.238 306 A HA 0.277 4.596 4.320 -0.000 0.000 0.208 306 A C 0.971 178.586 177.584 0.051 0.000 1.177 306 A CA 0.703 52.782 52.037 0.069 0.000 0.804 306 A CB -0.443 18.660 19.000 0.171 0.000 0.823 306 A HN 0.479 nan 8.150 nan 0.000 0.482 307 K N -1.330 119.083 120.400 0.022 0.000 3.071 307 K HA -0.170 4.150 4.320 -0.000 0.000 0.265 307 K C -0.897 175.717 176.600 0.023 0.000 1.060 307 K CA 0.181 56.477 56.287 0.015 0.000 0.767 307 K CB -1.756 30.758 32.500 0.022 0.000 1.241 307 K HN 0.351 nan 8.250 nan 0.000 0.486 308 L N 1.653 122.899 121.223 0.039 0.000 2.490 308 L HA -0.017 4.322 4.340 -0.000 0.000 0.274 308 L C 0.976 177.854 176.870 0.013 0.000 1.201 308 L CA 0.954 55.815 54.840 0.036 0.000 0.869 308 L CB 0.549 42.642 42.059 0.057 0.000 1.123 308 L HN 0.078 nan 8.230 nan 0.000 0.484 309 Q N 2.790 122.592 119.800 0.003 0.000 2.314 309 Q HA 0.085 4.425 4.340 -0.000 0.000 0.257 309 Q C -0.167 175.820 176.000 -0.021 0.000 0.975 309 Q CA -0.199 55.598 55.803 -0.009 0.000 0.933 309 Q CB 0.449 29.179 28.738 -0.013 0.000 1.195 309 Q HN 0.537 nan 8.270 nan 0.000 0.426 310 D N 1.034 121.423 120.400 -0.019 0.000 2.812 310 D HA -0.184 4.455 4.640 -0.000 0.000 0.237 310 D C -0.634 175.646 176.300 -0.033 0.000 1.162 310 D CA 0.316 54.300 54.000 -0.026 0.000 0.740 310 D CB -0.824 39.953 40.800 -0.039 0.000 1.000 310 D HN 0.662 nan 8.370 nan 0.000 0.416 311 c N 0.567 119.154 118.600 -0.022 0.000 2.482 311 c HA 0.721 5.291 4.570 -0.000 0.000 0.378 311 c C 0.721 174.798 174.090 -0.022 0.000 1.284 311 c CA -0.651 55.658 56.329 -0.033 0.000 1.826 311 c CB 0.568 43.066 42.510 -0.019 0.000 2.473 311 c HN 0.447 nan 8.230 nan 0.000 0.562 312 T N 6.148 120.681 114.554 -0.036 0.000 2.779 312 T HA 0.558 4.907 4.350 -0.000 0.000 0.280 312 T C -0.185 174.527 174.700 0.021 0.000 0.987 312 T CA -0.109 62.002 62.100 0.018 0.000 0.966 312 T CB 1.100 69.958 68.868 -0.017 0.000 0.933 312 T HN 0.774 nan 8.240 nan 0.000 0.442 313 M N 3.018 122.682 119.600 0.106 0.000 2.578 313 M HA 0.648 5.128 4.480 -0.000 0.000 0.321 313 M C -1.298 175.122 176.300 0.201 0.000 1.182 313 M CA -1.039 54.320 55.300 0.099 0.000 0.965 313 M CB 1.948 34.605 32.600 0.097 0.000 1.694 313 M HN 0.324 nan 8.290 nan 0.000 0.461 314 L N 2.895 124.198 121.223 0.132 0.000 2.441 314 L HA 0.688 5.028 4.340 -0.000 0.000 0.270 314 L C -1.646 175.236 176.870 0.020 0.000 0.973 314 L CA -0.472 54.441 54.840 0.121 0.000 0.842 314 L CB 1.796 43.953 42.059 0.163 0.000 1.239 314 L HN 0.473 nan 8.230 nan 0.000 0.406 315 V N 4.223 124.124 119.914 -0.021 0.000 2.540 315 V HA 0.596 4.716 4.120 -0.000 0.000 0.302 315 V C -0.687 175.230 176.094 -0.296 0.000 1.035 315 V CA -0.621 61.639 62.300 -0.066 0.000 0.873 315 V CB 2.004 33.878 31.823 0.084 0.000 0.992 315 V HN 0.779 nan 8.190 nan 0.000 0.428 316 N N 3.463 121.945 118.700 -0.364 0.000 2.664 316 N HA 0.604 5.344 4.740 -0.000 0.000 0.257 316 N C 0.528 175.913 175.510 -0.210 0.000 1.108 316 N CA 0.635 53.243 53.050 -0.737 0.000 0.822 316 N CB 1.622 39.607 38.487 -0.837 0.000 1.199 316 N HN 1.099 nan 8.380 nan 0.000 0.529 317 G N 2.274 111.098 108.800 0.039 0.000 2.591 317 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.298 317 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.298 317 G C 0.519 175.285 174.900 -0.223 0.000 1.195 317 G CA 0.736 45.857 45.100 0.035 0.000 0.989 317 G HN 0.584 nan 8.290 nan 0.000 0.551 318 D N 1.160 121.342 120.400 -0.363 0.000 2.340 318 D HA 0.117 4.757 4.640 -0.000 0.000 0.220 318 D C 0.495 176.674 176.300 -0.202 0.000 1.039 318 D CA 0.859 54.464 54.000 -0.657 0.000 0.866 318 D CB -0.108 40.251 40.800 -0.735 0.000 0.913 318 D HN 0.433 nan 8.370 nan 0.000 0.523 319 D N 0.580 120.919 120.400 -0.102 0.000 2.295 319 D HA 0.286 4.925 4.640 -0.000 0.000 0.248 319 D C -0.940 175.354 176.300 -0.011 0.000 1.154 319 D CA -0.485 53.501 54.000 -0.024 0.000 0.857 319 D CB 1.026 41.807 40.800 -0.032 0.000 1.117 319 D HN 0.062 nan 8.370 nan 0.000 0.468 320 L N 4.926 126.188 121.223 0.065 0.000 2.408 320 L HA 0.564 4.903 4.340 -0.000 0.000 0.268 320 L C -1.759 175.127 176.870 0.027 0.000 0.986 320 L CA -0.685 54.200 54.840 0.075 0.000 0.820 320 L CB 1.982 44.154 42.059 0.189 0.000 1.303 320 L HN 0.150 nan 8.230 nan 0.000 0.411 321 V N 5.583 125.463 119.914 -0.057 0.000 2.841 321 V HA 0.811 4.930 4.120 -0.000 0.000 0.310 321 V C -1.488 174.437 176.094 -0.280 0.000 1.090 321 V CA -0.353 61.846 62.300 -0.168 0.000 0.930 321 V CB 2.460 34.221 31.823 -0.102 0.000 1.014 321 V HN 0.615 nan 8.190 nan 0.000 0.425 322 V N 7.389 126.945 119.914 -0.596 0.000 2.588 322 V HA 0.601 4.721 4.120 -0.000 0.000 0.304 322 V C -0.445 175.370 176.094 -0.464 0.000 1.042 322 V CA -0.469 61.455 62.300 -0.626 0.000 0.877 322 V CB 1.838 32.993 31.823 -1.113 0.000 0.996 322 V HN 0.745 nan 8.190 nan 0.000 0.425 323 I N 4.715 125.150 120.570 -0.226 0.000 2.465 323 I HA 0.729 4.899 4.170 -0.000 0.000 0.291 323 I C -0.088 175.954 176.117 -0.125 0.000 1.014 323 I CA -0.328 60.901 61.300 -0.119 0.000 1.093 323 I CB 1.765 39.739 38.000 -0.043 0.000 1.267 323 I HN 0.926 nan 8.210 nan 0.000 0.431 324 C N 2.507 121.735 119.300 -0.119 0.000 3.311 324 C HA 0.557 5.017 4.460 -0.000 0.000 0.366 324 C C -0.762 174.152 174.990 -0.126 0.000 1.694 324 C CA -0.890 58.069 59.018 -0.098 0.000 1.244 324 C CB 1.835 29.552 27.740 -0.038 0.000 2.038 324 C HN 0.616 nan 8.230 nan 0.000 0.436 325 E N 1.871 122.018 120.200 -0.089 0.000 2.194 325 E HA 0.336 4.686 4.350 -0.000 0.000 0.284 325 E C 0.053 176.628 176.600 -0.041 0.000 1.035 325 E CA 0.477 56.825 56.400 -0.087 0.000 0.836 325 E CB 1.730 31.391 29.700 -0.066 0.000 1.070 325 E HN 0.705 nan 8.360 nan 0.000 0.401 326 S N 1.807 117.490 115.700 -0.028 0.000 2.585 326 S HA 0.333 4.803 4.470 -0.000 0.000 0.273 326 S C 0.411 175.022 174.600 0.020 0.000 1.339 326 S CA 0.166 58.395 58.200 0.049 0.000 1.028 326 S CB 0.678 63.962 63.200 0.140 0.000 0.906 326 S HN 0.525 nan 8.310 nan 0.000 0.528 327 A N 2.666 125.506 122.820 0.033 0.000 2.609 327 A HA 0.671 4.991 4.320 -0.000 0.000 0.286 327 A C 0.728 178.316 177.584 0.006 0.000 1.138 327 A CA 0.233 52.276 52.037 0.010 0.000 0.960 327 A CB -0.594 18.411 19.000 0.009 0.000 1.208 327 A HN 1.903 nan 8.150 nan 0.000 0.541 328 G N -1.146 107.659 108.800 0.009 0.000 2.539 328 G HA2 0.140 4.100 3.960 -0.000 0.000 0.686 328 G HA3 0.140 4.100 3.960 -0.000 0.000 0.686 328 G C 0.568 175.477 174.900 0.015 0.000 1.258 328 G CA 0.206 45.291 45.100 -0.024 0.000 0.846 328 G HN 1.124 nan 8.290 nan 0.000 0.647 329 T N -1.754 112.783 114.554 -0.030 0.000 2.746 329 T HA -0.191 4.158 4.350 -0.000 0.000 0.267 329 T C 2.111 176.844 174.700 0.056 0.000 1.039 329 T CA 2.270 64.398 62.100 0.047 0.000 1.142 329 T CB -0.258 68.604 68.868 -0.011 0.000 0.866 329 T HN 0.837 nan 8.240 nan 0.000 0.444 330 Q N 0.716 120.527 119.800 0.019 0.000 2.046 330 Q HA -0.166 4.174 4.340 -0.000 0.000 0.200 330 Q C 2.450 178.460 176.000 0.017 0.000 0.975 330 Q CA 1.798 57.610 55.803 0.016 0.000 0.836 330 Q CB -0.186 28.554 28.738 0.004 0.000 0.896 330 Q HN 0.564 nan 8.270 nan 0.000 0.428 331 E N 0.725 120.935 120.200 0.017 0.000 2.106 331 E HA -0.174 4.175 4.350 -0.000 0.000 0.192 331 E C 1.260 177.871 176.600 0.019 0.000 0.984 331 E CA 1.700 58.108 56.400 0.015 0.000 0.806 331 E CB -0.168 29.539 29.700 0.012 0.000 0.750 331 E HN 0.415 nan 8.360 nan 0.000 0.458 332 D N -0.132 120.293 120.400 0.042 0.000 2.144 332 D HA -0.075 4.565 4.640 -0.000 0.000 0.200 332 D C 1.735 178.027 176.300 -0.013 0.000 0.978 332 D CA 1.537 55.558 54.000 0.036 0.000 0.833 332 D CB -0.445 40.430 40.800 0.126 0.000 0.961 332 D HN 0.312 nan 8.370 nan 0.000 0.470 333 A N 0.964 123.789 122.820 0.009 0.000 1.902 333 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 333 A C 2.289 179.858 177.584 -0.025 0.000 1.181 333 A CA 2.118 54.147 52.037 -0.015 0.000 0.623 333 A CB -0.644 18.362 19.000 0.009 0.000 0.818 333 A HN 0.232 nan 8.150 nan 0.000 0.443 334 A N -0.622 122.192 122.820 -0.010 0.000 1.898 334 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 334 A C 2.428 180.007 177.584 -0.008 0.000 1.181 334 A CA 1.923 53.956 52.037 -0.006 0.000 0.620 334 A CB -0.782 18.219 19.000 0.000 0.000 0.819 334 A HN 0.444 nan 8.150 nan 0.000 0.442 335 S N -0.085 115.607 115.700 -0.014 0.000 2.368 335 S HA -0.083 4.387 4.470 -0.000 0.000 0.225 335 S C 1.834 176.422 174.600 -0.020 0.000 1.030 335 S CA 1.302 59.498 58.200 -0.007 0.000 0.999 335 S CB -0.431 62.763 63.200 -0.011 0.000 0.844 335 S HN 0.498 nan 8.310 nan 0.000 0.459 336 L N 0.983 122.139 121.223 -0.111 0.000 2.083 336 L HA -0.105 4.234 4.340 -0.000 0.000 0.209 336 L C 2.755 179.615 176.870 -0.015 0.000 1.083 336 L CA 1.177 55.897 54.840 -0.200 0.000 0.752 336 L CB -0.304 41.538 42.059 -0.363 0.000 0.899 336 L HN 0.267 nan 8.230 nan 0.000 0.433 337 R N -0.941 119.553 120.500 -0.009 0.000 2.081 337 R HA -0.133 4.206 4.340 -0.000 0.000 0.235 337 R C 2.142 178.460 176.300 0.030 0.000 1.131 337 R CA 1.301 57.412 56.100 0.018 0.000 0.960 337 R CB -0.405 29.897 30.300 0.002 0.000 0.856 337 R HN 0.224 nan 8.270 nan 0.000 0.436 338 V N 0.702 120.634 119.914 0.029 0.000 2.358 338 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 338 V C 1.931 178.037 176.094 0.020 0.000 1.047 338 V CA 1.609 63.919 62.300 0.016 0.000 1.035 338 V CB -0.568 31.268 31.823 0.022 0.000 0.658 338 V HN 0.213 nan 8.190 nan 0.000 0.452 339 F N 1.578 121.485 119.950 -0.071 0.000 2.126 339 F HA -0.226 4.301 4.527 -0.001 0.000 0.299 339 F C 2.406 178.155 175.800 -0.085 0.000 1.096 339 F CA 2.305 60.260 58.000 -0.076 0.000 1.255 339 F CB -0.507 38.445 39.000 -0.080 0.000 0.997 339 F HN 0.112 nan 8.300 nan 0.000 0.479 340 T N 0.056 114.673 114.554 0.105 0.000 2.821 340 T HA -0.166 4.183 4.350 -0.000 0.000 0.267 340 T C 1.679 176.356 174.700 -0.038 0.000 1.046 340 T CA 1.660 63.828 62.100 0.113 0.000 1.139 340 T CB -0.311 68.706 68.868 0.249 0.000 0.871 340 T HN 0.408 nan 8.240 nan 0.000 0.454 341 E N 1.121 121.279 120.200 -0.069 0.000 2.106 341 E HA -0.032 4.318 4.350 -0.000 0.000 0.192 341 E C 2.555 179.019 176.600 -0.226 0.000 0.984 341 E CA 0.925 57.260 56.400 -0.109 0.000 0.806 341 E CB -0.191 29.460 29.700 -0.082 0.000 0.750 341 E HN 0.481 nan 8.360 nan 0.000 0.458 342 A N 1.355 123.983 122.820 -0.320 0.000 1.873 342 A HA -0.173 4.147 4.320 -0.000 0.000 0.215 342 A C 2.169 179.328 177.584 -0.709 0.000 1.186 342 A CA 1.185 52.889 52.037 -0.555 0.000 0.616 342 A CB -0.301 18.413 19.000 -0.478 0.000 0.823 342 A HN 0.103 nan 8.150 nan 0.000 0.442 343 M N -0.159 119.137 119.600 -0.506 0.000 2.149 343 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 343 M C 2.166 178.397 176.300 -0.115 0.000 1.064 343 M CA 2.028 57.161 55.300 -0.277 0.000 1.102 343 M CB -1.943 30.432 32.600 -0.375 0.000 1.369 343 M HN 0.451 nan 8.290 nan 0.000 0.408 344 T N 0.035 114.517 114.554 -0.120 0.000 2.746 344 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 344 T C 1.967 176.604 174.700 -0.104 0.000 1.039 344 T CA 1.066 63.128 62.100 -0.062 0.000 1.142 344 T CB -0.167 68.671 68.868 -0.050 0.000 0.866 344 T HN 0.380 nan 8.240 nan 0.000 0.444 345 R N 0.018 120.386 120.500 -0.221 0.000 2.120 345 R HA -0.057 4.282 4.340 -0.000 0.000 0.234 345 R C 1.616 177.842 176.300 -0.124 0.000 1.123 345 R CA 1.091 57.060 56.100 -0.219 0.000 0.975 345 R CB -0.261 29.834 30.300 -0.341 0.000 0.866 345 R HN 0.442 nan 8.270 nan 0.000 0.446 346 Y N -0.006 120.241 120.300 -0.089 0.000 2.529 346 Y HA 0.110 4.660 4.550 0.000 0.000 0.290 346 Y C 0.782 176.636 175.900 -0.077 0.000 1.177 346 Y CA -0.393 57.647 58.100 -0.101 0.000 1.305 346 Y CB -0.098 38.327 38.460 -0.058 0.000 1.047 346 Y HN -0.064 nan 8.280 nan 0.000 0.522 347 S N 0.063 115.804 115.700 0.068 0.000 3.963 347 S HA -0.049 4.420 4.470 -0.000 0.000 0.438 347 S C -0.065 174.550 174.600 0.025 0.000 0.879 347 S CA 0.460 58.683 58.200 0.038 0.000 1.262 347 S CB -1.396 61.818 63.200 0.023 0.000 0.850 347 S HN 0.778 nan 8.310 nan 0.000 0.570 348 A N 2.132 124.987 122.820 0.059 0.000 3.368 348 A HA 0.527 4.847 4.320 -0.000 0.000 0.211 348 A C -2.309 175.398 177.584 0.205 0.000 1.004 348 A CA -0.398 51.704 52.037 0.108 0.000 1.059 348 A CB 0.804 19.899 19.000 0.158 0.000 1.298 348 A HN 0.471 nan 8.150 nan 0.000 0.613 349 P HA 0.272 nan 4.420 nan 0.000 0.269 349 P C -2.850 174.501 177.300 0.084 0.000 1.215 349 P CA -0.761 62.393 63.100 0.090 0.000 0.780 349 P CB 0.618 32.303 31.700 -0.025 0.000 0.898 350 P HA 0.133 nan 4.420 nan 0.000 0.279 350 P C 0.477 177.709 177.300 -0.114 0.000 1.252 350 P CA -0.021 62.970 63.100 -0.182 0.000 0.811 350 P CB 1.043 32.585 31.700 -0.263 0.000 1.035 351 G N 0.969 109.695 108.800 -0.123 0.000 2.680 351 G HA2 0.046 4.006 3.960 -0.000 0.000 0.224 351 G HA3 0.046 4.006 3.960 -0.000 0.000 0.224 351 G C -0.135 174.722 174.900 -0.072 0.000 1.454 351 G CA 0.080 45.140 45.100 -0.067 0.000 0.900 351 G HN 0.451 nan 8.290 nan 0.000 0.570 352 D N 2.597 122.952 120.400 -0.074 0.000 2.312 352 D HA 0.283 4.922 4.640 -0.000 0.000 0.252 352 D C -2.109 174.145 176.300 -0.077 0.000 1.150 352 D CA -0.923 53.043 54.000 -0.057 0.000 0.870 352 D CB 1.533 42.309 40.800 -0.039 0.000 1.153 352 D HN 0.107 nan 8.370 nan 0.000 0.457 353 P HA 0.099 nan 4.420 nan 0.000 0.267 353 P C -2.361 174.925 177.300 -0.023 0.000 1.205 353 P CA -0.933 62.145 63.100 -0.038 0.000 0.765 353 P CB -0.035 31.654 31.700 -0.018 0.000 0.828 354 P HA 0.114 nan 4.420 nan 0.000 0.271 354 P C -0.798 176.495 177.300 -0.011 0.000 1.218 354 P CA 0.076 63.200 63.100 0.040 0.000 0.780 354 P CB 0.761 32.549 31.700 0.146 0.000 0.901 355 Q N 2.560 122.366 119.800 0.010 0.000 2.347 355 Q HA 0.594 4.934 4.340 -0.000 0.000 0.271 355 Q C -2.817 173.176 176.000 -0.012 0.000 1.064 355 Q CA -2.351 53.444 55.803 -0.013 0.000 0.800 355 Q CB 2.259 31.004 28.738 0.011 0.000 1.304 355 Q HN 0.269 nan 8.270 nan 0.000 0.438 356 P HA 0.119 nan 4.420 nan 0.000 0.275 356 P C -0.878 176.274 177.300 -0.246 0.000 1.227 356 P CA 0.080 63.095 63.100 -0.141 0.000 0.781 356 P CB 1.076 32.679 31.700 -0.162 0.000 0.906 357 E N 2.023 122.034 120.200 -0.314 0.000 2.256 357 E HA 0.234 4.584 4.350 -0.000 0.000 0.267 357 E C -0.532 175.833 176.600 -0.393 0.000 0.892 357 E CA -0.487 55.766 56.400 -0.245 0.000 0.775 357 E CB 1.476 31.148 29.700 -0.046 0.000 1.207 357 E HN 0.455 nan 8.360 nan 0.000 0.420 358 Y N -0.394 120.049 120.300 0.238 0.000 2.500 358 Y HA 0.166 4.716 4.550 -0.000 0.000 0.246 358 Y C 0.265 176.409 175.900 0.407 0.000 1.146 358 Y CA -0.413 57.889 58.100 0.336 0.000 1.230 358 Y CB 1.041 39.604 38.460 0.172 0.000 1.214 358 Y HN 0.249 nan 8.280 nan 0.000 0.526 359 D N 0.680 121.236 120.400 0.261 0.000 2.471 359 D HA 0.110 4.749 4.640 -0.000 0.000 0.245 359 D C 0.787 176.909 176.300 -0.296 0.000 1.116 359 D CA -0.272 53.755 54.000 0.046 0.000 0.853 359 D CB 1.699 42.526 40.800 0.045 0.000 1.123 359 D HN 0.126 nan 8.370 nan 0.000 0.540 360 L N 4.419 125.165 121.223 -0.796 0.000 2.129 360 L HA -0.096 4.243 4.340 -0.000 0.000 0.212 360 L C 1.817 178.381 176.870 -0.509 0.000 1.087 360 L CA 1.950 56.142 54.840 -1.080 0.000 0.757 360 L CB -0.432 40.731 42.059 -1.494 0.000 0.896 360 L HN 0.628 nan 8.230 nan 0.000 0.434 361 E N -0.794 119.211 120.200 -0.325 0.000 2.268 361 E HA -0.183 4.166 4.350 -0.000 0.000 0.195 361 E C 1.904 178.420 176.600 -0.141 0.000 0.995 361 E CA 0.808 57.091 56.400 -0.194 0.000 0.836 361 E CB -0.108 29.524 29.700 -0.114 0.000 0.763 361 E HN 0.635 nan 8.360 nan 0.000 0.491 362 L N 0.908 122.053 121.223 -0.130 0.000 2.591 362 L HA 0.185 4.525 4.340 -0.000 0.000 0.228 362 L C 0.591 177.415 176.870 -0.077 0.000 1.133 362 L CA -0.097 54.698 54.840 -0.076 0.000 0.880 362 L CB 0.145 42.182 42.059 -0.036 0.000 1.033 362 L HN 0.085 nan 8.230 nan 0.000 0.450 363 I N 0.350 120.845 120.570 -0.124 0.000 2.312 363 I HA 0.094 4.264 4.170 -0.000 0.000 0.291 363 I C 0.001 176.072 176.117 -0.077 0.000 1.031 363 I CA 0.126 61.369 61.300 -0.095 0.000 1.293 363 I CB 1.195 39.116 38.000 -0.132 0.000 1.403 363 I HN -0.077 nan 8.210 nan 0.000 0.484 364 T N 5.138 119.668 114.554 -0.039 0.000 2.749 364 T HA 0.413 4.762 4.350 -0.000 0.000 0.287 364 T C -0.125 174.570 174.700 -0.008 0.000 0.970 364 T CA -0.601 61.486 62.100 -0.022 0.000 0.980 364 T CB 0.834 69.696 68.868 -0.010 0.000 0.924 364 T HN 0.702 nan 8.240 nan 0.000 0.456 365 S N 0.868 116.565 115.700 -0.005 0.000 2.547 365 S HA 0.442 4.912 4.470 -0.000 0.000 0.281 365 S C 0.202 174.815 174.600 0.023 0.000 1.118 365 S CA -0.823 57.377 58.200 -0.000 0.000 0.947 365 S CB 0.715 63.900 63.200 -0.025 0.000 1.053 365 S HN 0.882 nan 8.310 nan 0.000 0.482 366 C N 1.978 121.295 119.300 0.029 0.000 4.365 366 C HA -0.179 4.281 4.460 -0.000 0.000 0.299 366 C C 1.331 176.389 174.990 0.114 0.000 1.409 366 C CA 0.699 59.756 59.018 0.066 0.000 2.007 366 C CB -3.233 24.543 27.740 0.059 0.000 1.264 366 C HN 1.637 nan 8.230 nan 0.000 0.777 367 S N -1.525 114.224 115.700 0.082 0.000 3.358 367 S HA -0.197 4.273 4.470 -0.000 0.000 0.309 367 S C 0.283 174.930 174.600 0.079 0.000 1.247 367 S CA 1.270 59.515 58.200 0.075 0.000 0.961 367 S CB -0.890 62.367 63.200 0.096 0.000 1.074 367 S HN 1.044 nan 8.310 nan 0.000 0.625 368 S N 1.543 117.299 115.700 0.093 0.000 2.667 368 S HA 0.809 5.279 4.470 -0.000 0.000 0.292 368 S C -0.460 174.164 174.600 0.039 0.000 1.126 368 S CA -0.912 57.355 58.200 0.113 0.000 0.881 368 S CB 1.871 65.222 63.200 0.251 0.000 1.132 368 S HN 0.593 nan 8.310 nan 0.000 0.492 369 N N -0.875 117.835 118.700 0.016 0.000 2.494 369 N HA 0.422 5.162 4.740 -0.000 0.000 0.270 369 N C -1.715 173.729 175.510 -0.110 0.000 1.285 369 N CA -0.570 52.444 53.050 -0.060 0.000 0.812 369 N CB 1.091 39.533 38.487 -0.077 0.000 1.557 369 N HN 0.345 nan 8.380 nan 0.000 0.487 370 V N 0.442 120.256 119.914 -0.165 0.000 2.546 370 V HA 0.500 4.620 4.120 -0.000 0.000 0.284 370 V C 0.426 176.382 176.094 -0.231 0.000 1.050 370 V CA -0.028 62.146 62.300 -0.210 0.000 0.981 370 V CB 0.980 32.670 31.823 -0.223 0.000 0.990 370 V HN 0.861 nan 8.190 nan 0.000 0.474 371 S N 2.716 118.209 115.700 -0.345 0.000 2.720 371 S HA 0.819 5.289 4.470 -0.000 0.000 0.287 371 S C -1.381 173.120 174.600 -0.164 0.000 1.168 371 S CA -0.441 57.597 58.200 -0.270 0.000 0.832 371 S CB 2.066 65.070 63.200 -0.327 0.000 1.166 371 S HN 0.673 nan 8.310 nan 0.000 0.493 372 V N 0.845 120.750 119.914 -0.014 0.000 2.925 372 V HA 0.984 5.104 4.120 -0.000 0.000 0.311 372 V C -0.363 175.653 176.094 -0.130 0.000 1.104 372 V CA 0.306 62.537 62.300 -0.114 0.000 0.954 372 V CB 1.341 32.936 31.823 -0.381 0.000 1.022 372 V HN 1.330 nan 8.190 nan 0.000 0.427 373 A N 4.464 127.035 122.820 -0.416 0.000 2.566 373 A HA 0.924 5.244 4.320 -0.000 0.000 0.291 373 A C -1.302 175.661 177.584 -1.036 0.000 1.278 373 A CA -0.577 51.030 52.037 -0.717 0.000 0.711 373 A CB 1.764 20.172 19.000 -0.987 0.000 1.332 373 A HN 0.954 nan 8.150 nan 0.000 0.478 374 H N 0.177 118.880 119.070 -0.610 0.000 2.717 374 H HA 0.406 4.961 4.556 -0.001 0.000 0.366 374 H C -1.276 173.701 175.328 -0.585 0.000 1.132 374 H CA -0.399 55.320 56.048 -0.549 0.000 1.180 374 H CB 1.791 31.227 29.762 -0.543 0.000 1.678 374 H HN 0.903 nan 8.280 nan 0.000 0.537 375 D N 0.542 120.833 120.400 -0.181 0.000 2.478 375 D HA 0.250 4.890 4.640 -0.000 0.000 0.269 375 D C 1.389 177.781 176.300 0.154 0.000 1.232 375 D CA -0.386 53.586 54.000 -0.047 0.000 1.059 375 D CB 0.452 41.235 40.800 -0.029 0.000 1.104 375 D HN 0.449 nan 8.370 nan 0.000 0.566 376 A N -0.238 122.679 122.820 0.163 0.000 1.948 376 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 376 A C 2.095 179.758 177.584 0.131 0.000 1.177 376 A CA 2.022 54.156 52.037 0.161 0.000 0.636 376 A CB -1.089 17.963 19.000 0.087 0.000 0.815 376 A HN 0.474 nan 8.150 nan 0.000 0.449 377 S N -2.008 113.748 115.700 0.093 0.000 2.489 377 S HA 0.297 4.767 4.470 -0.000 0.000 0.228 377 S C 1.552 176.194 174.600 0.070 0.000 0.995 377 S CA 1.094 59.332 58.200 0.064 0.000 0.934 377 S CB -0.015 63.209 63.200 0.041 0.000 0.771 377 S HN 1.693 nan 8.310 nan 0.000 0.522 378 G N 1.541 110.404 108.800 0.106 0.000 2.176 378 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.232 378 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.232 378 G C 0.064 175.012 174.900 0.080 0.000 0.986 378 G CA 0.111 45.258 45.100 0.080 0.000 0.643 378 G HN 0.510 nan 8.290 nan 0.000 0.522 379 K N 1.021 121.455 120.400 0.056 0.000 2.326 379 K HA 0.431 4.751 4.320 -0.000 0.000 0.275 379 K C 0.756 177.350 176.600 -0.011 0.000 1.018 379 K CA -0.620 55.686 56.287 0.031 0.000 0.962 379 K CB 0.300 32.800 32.500 -0.000 0.000 0.953 379 K HN 0.297 nan 8.250 nan 0.000 0.475 380 R N 1.841 122.306 120.500 -0.058 0.000 2.537 380 R HA 0.126 4.466 4.340 -0.000 0.000 0.280 380 R C -0.643 175.432 176.300 -0.374 0.000 1.058 380 R CA -0.242 55.661 56.100 -0.327 0.000 1.057 380 R CB 1.099 31.204 30.300 -0.325 0.000 0.973 380 R HN 0.336 nan 8.270 nan 0.000 0.438 381 V N 5.424 125.043 119.914 -0.493 0.000 2.525 381 V HA 0.330 4.450 4.120 -0.000 0.000 0.299 381 V C -1.414 174.498 176.094 -0.303 0.000 1.034 381 V CA -0.732 61.376 62.300 -0.320 0.000 0.863 381 V CB 1.128 32.814 31.823 -0.227 0.000 0.999 381 V HN 0.594 nan 8.190 nan 0.000 0.423 382 Y N 7.541 127.827 120.300 -0.022 0.000 2.299 382 Y HA 0.675 5.225 4.550 -0.001 0.000 0.326 382 Y C 0.090 176.055 175.900 0.108 0.000 1.164 382 Y CA 0.147 58.250 58.100 0.005 0.000 1.234 382 Y CB 1.254 39.674 38.460 -0.066 0.000 1.219 382 Y HN 0.800 nan 8.280 nan 0.000 0.497 383 Y N 0.223 120.567 120.300 0.073 0.000 2.670 383 Y HA 0.659 5.209 4.550 0.000 0.000 0.334 383 Y C -2.254 173.688 175.900 0.070 0.000 1.185 383 Y CA -2.088 56.036 58.100 0.039 0.000 1.053 383 Y CB 0.578 39.023 38.460 -0.025 0.000 1.298 383 Y HN 0.447 nan 8.280 nan 0.000 0.459 384 L N 2.064 123.313 121.223 0.043 0.000 2.289 384 L HA 0.769 5.109 4.340 -0.000 0.000 0.285 384 L C 0.036 177.045 176.870 0.231 0.000 1.049 384 L CA 0.435 55.300 54.840 0.041 0.000 0.804 384 L CB 1.387 43.515 42.059 0.114 0.000 1.195 384 L HN 1.048 nan 8.230 nan 0.000 0.428 385 T N 4.298 118.950 114.554 0.165 0.000 2.696 385 T HA 0.880 5.230 4.350 -0.000 0.000 0.291 385 T C -1.253 173.551 174.700 0.173 0.000 1.095 385 T CA -0.560 61.724 62.100 0.306 0.000 1.026 385 T CB 1.149 70.159 68.868 0.236 0.000 1.390 385 T HN 0.860 nan 8.240 nan 0.000 0.513 386 R N 0.441 120.995 120.500 0.089 0.000 2.741 386 R HA 0.435 4.775 4.340 -0.000 0.000 0.276 386 R C -1.629 174.496 176.300 -0.291 0.000 1.028 386 R CA -0.990 55.039 56.100 -0.118 0.000 0.865 386 R CB 0.260 30.419 30.300 -0.236 0.000 1.268 386 R HN 0.531 nan 8.270 nan 0.000 0.475 387 D N 1.941 122.174 120.400 -0.279 0.000 2.458 387 D HA 0.044 4.684 4.640 -0.000 0.000 0.243 387 D C -1.321 174.607 176.300 -0.620 0.000 1.146 387 D CA -1.284 52.509 54.000 -0.345 0.000 0.877 387 D CB 1.271 41.950 40.800 -0.202 0.000 1.176 387 D HN 0.375 nan 8.370 nan 0.000 0.461 388 P HA -0.028 nan 4.420 nan 0.000 0.245 388 P C 1.174 178.147 177.300 -0.545 0.000 1.206 388 P CA 0.219 62.635 63.100 -1.140 0.000 0.781 388 P CB 0.332 31.251 31.700 -1.302 0.000 0.994 389 T N 0.245 114.600 114.554 -0.332 0.000 2.607 389 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 389 T C 1.833 176.472 174.700 -0.101 0.000 1.049 389 T CA 2.551 64.557 62.100 -0.157 0.000 1.162 389 T CB -1.218 67.601 68.868 -0.082 0.000 0.863 389 T HN 0.198 nan 8.240 nan 0.000 0.424 390 T N 2.167 116.667 114.554 -0.090 0.000 2.746 390 T HA -0.048 4.302 4.350 -0.000 0.000 0.267 390 T C -0.553 174.106 174.700 -0.069 0.000 1.039 390 T CA 1.205 63.281 62.100 -0.041 0.000 1.142 390 T CB -1.178 67.704 68.868 0.023 0.000 0.866 390 T HN 0.336 nan 8.240 nan 0.000 0.444 391 P HA -0.004 nan 4.420 nan 0.000 0.215 391 P C 1.471 178.801 177.300 0.050 0.000 1.153 391 P CA 0.933 64.023 63.100 -0.017 0.000 0.853 391 P CB -0.162 31.487 31.700 -0.086 0.000 0.788 392 L N -1.569 119.644 121.223 -0.016 0.000 2.156 392 L HA -0.088 4.251 4.340 -0.000 0.000 0.208 392 L C 2.419 179.332 176.870 0.072 0.000 1.095 392 L CA 1.243 56.108 54.840 0.041 0.000 0.770 392 L CB -1.046 41.002 42.059 -0.019 0.000 0.914 392 L HN -0.048 nan 8.230 nan 0.000 0.439 393 A N 0.326 123.173 122.820 0.045 0.000 1.898 393 A HA -0.179 4.140 4.320 -0.000 0.000 0.216 393 A C 2.377 180.024 177.584 0.105 0.000 1.181 393 A CA 1.314 53.394 52.037 0.072 0.000 0.620 393 A CB -0.384 18.633 19.000 0.028 0.000 0.819 393 A HN 0.310 nan 8.150 nan 0.000 0.442 394 R N -0.626 119.910 120.500 0.060 0.000 2.115 394 R HA 0.032 4.372 4.340 -0.000 0.000 0.226 394 R C 2.366 178.808 176.300 0.237 0.000 1.100 394 R CA 0.942 57.093 56.100 0.085 0.000 0.980 394 R CB -0.339 29.952 30.300 -0.015 0.000 0.875 394 R HN 0.506 nan 8.270 nan 0.000 0.445 395 A N 1.209 124.194 122.820 0.276 0.000 1.930 395 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 395 A C 2.334 180.154 177.584 0.393 0.000 1.175 395 A CA 1.433 53.748 52.037 0.462 0.000 0.627 395 A CB -0.453 18.854 19.000 0.511 0.000 0.815 395 A HN 0.357 nan 8.150 nan 0.000 0.443 396 A N -1.172 121.792 122.820 0.240 0.000 1.902 396 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 396 A C 2.107 179.801 177.584 0.182 0.000 1.181 396 A CA 1.403 53.536 52.037 0.160 0.000 0.623 396 A CB -0.861 18.218 19.000 0.132 0.000 0.818 396 A HN 0.821 nan 8.150 nan 0.000 0.443 397 W N 0.961 122.301 121.300 0.066 0.000 2.358 397 W HA -0.134 4.525 4.660 -0.000 0.000 0.303 397 W C 1.694 178.257 176.519 0.073 0.000 1.208 397 W CA 1.891 59.262 57.345 0.043 0.000 1.274 397 W CB -0.310 29.156 29.460 0.010 0.000 1.138 397 W HN 0.554 nan 8.180 nan 0.000 0.515 398 E N -0.812 119.633 120.200 0.410 0.000 2.338 398 E HA -0.136 4.214 4.350 -0.000 0.000 0.197 398 E C 1.942 178.701 176.600 0.264 0.000 1.007 398 E CA 1.449 58.057 56.400 0.347 0.000 0.849 398 E CB -0.147 29.802 29.700 0.415 0.000 0.774 398 E HN 0.072 nan 8.360 nan 0.000 0.506 399 T N 0.135 114.833 114.554 0.241 0.000 2.867 399 T HA -0.063 4.287 4.350 -0.000 0.000 0.268 399 T C 1.693 176.385 174.700 -0.014 0.000 1.057 399 T CA 1.236 63.411 62.100 0.126 0.000 1.136 399 T CB 0.082 69.033 68.868 0.137 0.000 0.874 399 T HN 0.222 nan 8.240 nan 0.000 0.466 400 A N 0.068 122.846 122.820 -0.069 0.000 2.324 400 A HA 0.359 4.679 4.320 -0.000 0.000 0.220 400 A C 0.823 178.322 177.584 -0.142 0.000 1.209 400 A CA -0.134 51.821 52.037 -0.137 0.000 0.918 400 A CB 0.538 19.411 19.000 -0.211 0.000 0.959 400 A HN 0.086 nan 8.150 nan 0.000 0.507 401 R N 0.376 120.808 120.500 -0.113 0.000 2.574 401 R HA 0.370 4.710 4.340 -0.000 0.000 0.288 401 R C -1.703 174.625 176.300 0.046 0.000 1.004 401 R CA -0.551 55.541 56.100 -0.013 0.000 0.895 401 R CB 0.925 31.222 30.300 -0.005 0.000 1.191 401 R HN 0.427 nan 8.270 nan 0.000 0.444 402 H N 0.682 119.816 119.070 0.106 0.000 2.722 402 H HA 0.232 4.788 4.556 -0.000 0.000 0.328 402 H C 0.546 175.938 175.328 0.106 0.000 1.067 402 H CA 0.647 56.759 56.048 0.107 0.000 1.447 402 H CB 0.900 30.703 29.762 0.069 0.000 1.469 402 H HN 0.561 nan 8.280 nan 0.000 0.544 403 T N -0.017 114.643 114.554 0.176 0.000 2.906 403 T HA 0.295 4.645 4.350 -0.000 0.000 0.295 403 T C -1.777 172.916 174.700 -0.013 0.000 1.075 403 T CA -1.992 60.163 62.100 0.091 0.000 1.005 403 T CB 1.618 70.543 68.868 0.095 0.000 1.136 403 T HN 0.238 nan 8.240 nan 0.000 0.498 404 P HA 0.108 nan 4.420 nan 0.000 0.217 404 P C -0.175 177.031 177.300 -0.156 0.000 1.150 404 P CA 0.435 63.402 63.100 -0.222 0.000 0.832 404 P CB 0.108 31.669 31.700 -0.231 0.000 0.787 405 V N 1.319 121.167 119.914 -0.110 0.000 2.409 405 V HA 0.212 4.332 4.120 -0.000 0.000 0.291 405 V C -0.159 175.867 176.094 -0.113 0.000 1.020 405 V CA -0.830 61.403 62.300 -0.112 0.000 0.848 405 V CB 1.458 33.220 31.823 -0.101 0.000 0.990 405 V HN 0.014 nan 8.190 nan 0.000 0.430 406 N N 3.231 121.819 118.700 -0.188 0.000 2.602 406 N HA 0.058 4.797 4.740 -0.000 0.000 0.238 406 N C 1.389 176.665 175.510 -0.391 0.000 1.084 406 N CA 0.163 53.030 53.050 -0.305 0.000 0.952 406 N CB 1.603 39.772 38.487 -0.531 0.000 1.244 406 N HN 0.832 nan 8.380 nan 0.000 0.512 407 S N 2.034 117.627 115.700 -0.177 0.000 2.399 407 S HA -0.114 4.356 4.470 -0.000 0.000 0.231 407 S C 1.847 176.402 174.600 -0.075 0.000 1.022 407 S CA 0.178 58.319 58.200 -0.099 0.000 0.983 407 S CB -0.390 62.806 63.200 -0.007 0.000 0.803 407 S HN 0.787 nan 8.310 nan 0.000 0.480 408 W N 1.324 122.526 121.300 -0.162 0.000 2.363 408 W HA -0.034 4.626 4.660 -0.001 0.000 0.296 408 W C 1.702 178.140 176.519 -0.136 0.000 1.212 408 W CA 0.507 57.723 57.345 -0.216 0.000 1.260 408 W CB -1.066 27.891 29.460 -0.839 0.000 1.131 408 W HN 0.366 nan 8.180 nan 0.000 0.530 409 L N 2.828 123.423 121.223 -1.047 0.000 2.056 409 L HA 0.161 4.500 4.340 -0.000 0.000 0.207 409 L C 2.669 179.328 176.870 -0.352 0.000 1.078 409 L CA 2.788 57.069 54.840 -0.932 0.000 0.749 409 L CB -1.357 39.887 42.059 -1.358 0.000 0.901 409 L HN 0.045 nan 8.230 nan 0.000 0.433 410 G N -0.752 107.864 108.800 -0.306 0.000 2.422 410 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 410 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 410 G C 1.462 176.354 174.900 -0.013 0.000 1.146 410 G CA 0.710 45.712 45.100 -0.163 0.000 0.769 410 G HN 0.429 nan 8.290 nan 0.000 0.547 411 N N 0.526 119.285 118.700 0.099 0.000 2.188 411 N HA 0.004 4.744 4.740 -0.000 0.000 0.184 411 N C 2.233 177.887 175.510 0.240 0.000 1.018 411 N CA 0.535 53.775 53.050 0.317 0.000 0.858 411 N CB -0.119 38.630 38.487 0.438 0.000 0.989 411 N HN 0.330 nan 8.380 nan 0.000 0.426 412 I N 0.886 121.555 120.570 0.164 0.000 2.226 412 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 412 I C 1.993 178.160 176.117 0.083 0.000 1.100 412 I CA 0.845 62.225 61.300 0.133 0.000 1.374 412 I CB -0.123 38.023 38.000 0.242 0.000 1.057 412 I HN 0.041 nan 8.210 nan 0.000 0.413 413 I N -0.025 120.591 120.570 0.077 0.000 2.179 413 I HA -0.301 3.868 4.170 -0.000 0.000 0.242 413 I C 2.495 178.697 176.117 0.142 0.000 1.088 413 I CA 1.262 62.633 61.300 0.117 0.000 1.357 413 I CB -0.231 37.803 38.000 0.056 0.000 1.051 413 I HN 0.208 nan 8.210 nan 0.000 0.409 414 M N -0.692 118.900 119.600 -0.014 0.000 2.254 414 M HA -0.110 4.370 4.480 -0.000 0.000 0.265 414 M C 0.949 176.973 176.300 -0.459 0.000 1.066 414 M CA 1.699 56.857 55.300 -0.237 0.000 1.123 414 M CB -0.704 31.619 32.600 -0.461 0.000 1.388 414 M HN 0.204 nan 8.290 nan 0.000 0.425 415 Y N -0.711 119.579 120.300 -0.017 0.000 2.734 415 Y HA 0.499 5.048 4.550 -0.000 0.000 0.278 415 Y C 1.731 177.381 175.900 -0.416 0.000 1.108 415 Y CA -0.396 57.582 58.100 -0.204 0.000 1.211 415 Y CB -0.923 37.378 38.460 -0.265 0.000 1.182 415 Y HN 0.137 nan 8.280 nan 0.000 0.547 416 A N 0.908 123.528 122.820 -0.334 0.000 1.948 416 A HA -0.164 4.155 4.320 -0.000 0.000 0.220 416 A C -0.390 176.934 177.584 -0.434 0.000 1.177 416 A CA 1.749 53.572 52.037 -0.356 0.000 0.636 416 A CB -1.326 17.492 19.000 -0.304 0.000 0.815 416 A HN 0.299 nan 8.150 nan 0.000 0.449 417 P HA -0.001 nan 4.420 nan 0.000 0.229 417 P C 0.740 177.782 177.300 -0.430 0.000 1.160 417 P CA 1.279 64.099 63.100 -0.466 0.000 0.777 417 P CB -0.429 31.001 31.700 -0.451 0.000 0.814 418 T N -2.188 112.133 114.554 -0.388 0.000 2.903 418 T HA 0.035 4.384 4.350 -0.000 0.000 0.314 418 T C 1.150 175.485 174.700 -0.609 0.000 1.078 418 T CA -0.544 61.291 62.100 -0.442 0.000 1.114 418 T CB 0.462 68.804 68.868 -0.876 0.000 0.987 418 T HN -0.167 nan 8.240 nan 0.000 0.548 419 L N 2.503 123.300 121.223 -0.710 0.000 2.046 419 L HA 0.024 4.364 4.340 -0.000 0.000 0.208 419 L C 2.371 178.938 176.870 -0.504 0.000 1.077 419 L CA 1.643 55.998 54.840 -0.808 0.000 0.747 419 L CB -0.986 40.456 42.059 -1.028 0.000 0.896 419 L HN 0.929 nan 8.230 nan 0.000 0.432 420 W N -0.752 120.343 121.300 -0.341 0.000 2.418 420 W HA 0.085 4.744 4.660 -0.000 0.000 0.292 420 W C 2.027 178.410 176.519 -0.227 0.000 1.213 420 W CA 0.784 57.960 57.345 -0.281 0.000 1.283 420 W CB -1.435 27.900 29.460 -0.208 0.000 1.119 420 W HN 0.313 nan 8.180 nan 0.000 0.542 421 A N 1.854 124.256 122.820 -0.697 0.000 1.930 421 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 421 A C 2.253 179.693 177.584 -0.239 0.000 1.175 421 A CA 1.706 53.477 52.037 -0.444 0.000 0.627 421 A CB -0.710 17.869 19.000 -0.701 0.000 0.815 421 A HN 0.313 nan 8.150 nan 0.000 0.443 422 R N -1.368 118.913 120.500 -0.366 0.000 2.062 422 R HA 0.062 4.402 4.340 -0.000 0.000 0.226 422 R C 2.363 178.459 176.300 -0.341 0.000 1.125 422 R CA 1.459 57.367 56.100 -0.321 0.000 0.966 422 R CB -0.379 29.626 30.300 -0.491 0.000 0.861 422 R HN 0.631 nan 8.270 nan 0.000 0.433 423 M N 0.380 119.621 119.600 -0.598 0.000 2.132 423 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 423 M C 1.648 177.727 176.300 -0.368 0.000 1.065 423 M CA 1.829 56.772 55.300 -0.594 0.000 1.122 423 M CB 0.213 32.453 32.600 -0.601 0.000 1.365 423 M HN 0.092 nan 8.290 nan 0.000 0.411 424 I N -0.815 119.456 120.570 -0.499 0.000 2.900 424 I HA -0.119 4.051 4.170 -0.000 0.000 0.251 424 I C 2.092 178.051 176.117 -0.262 0.000 1.102 424 I CA 0.254 61.065 61.300 -0.817 0.000 1.457 424 I CB -0.399 37.133 38.000 -0.780 0.000 1.285 424 I HN 0.215 nan 8.210 nan 0.000 0.459 425 L N 0.410 121.658 121.223 0.041 0.000 2.012 425 L HA -0.235 4.104 4.340 -0.000 0.000 0.210 425 L C 2.718 179.881 176.870 0.489 0.000 1.073 425 L CA 1.722 56.780 54.840 0.363 0.000 0.748 425 L CB -0.542 41.769 42.059 0.420 0.000 0.891 425 L HN 0.292 nan 8.230 nan 0.000 0.431 426 M N -0.825 119.021 119.600 0.410 0.000 2.067 426 M HA -0.184 4.296 4.480 -0.000 0.000 0.260 426 M C 2.356 179.119 176.300 0.771 0.000 1.069 426 M CA 2.167 57.807 55.300 0.566 0.000 1.117 426 M CB -0.763 31.987 32.600 0.250 0.000 1.334 426 M HN 0.266 nan 8.290 nan 0.000 0.407 427 T N -1.263 113.722 114.554 0.718 0.000 2.684 427 T HA -0.232 4.117 4.350 -0.000 0.000 0.267 427 T C 1.671 176.641 174.700 0.451 0.000 1.036 427 T CA 1.973 64.456 62.100 0.639 0.000 1.148 427 T CB -0.586 68.701 68.868 0.697 0.000 0.863 427 T HN 0.447 nan 8.240 nan 0.000 0.436 428 H N 0.387 119.611 119.070 0.257 0.000 2.293 428 H HA -0.007 4.549 4.556 -0.000 0.000 0.300 428 H C 1.780 176.956 175.328 -0.253 0.000 1.082 428 H CA 1.591 57.653 56.048 0.024 0.000 1.308 428 H CB -0.503 29.143 29.762 -0.194 0.000 1.375 428 H HN 0.346 nan 8.280 nan 0.000 0.495 429 F N -1.204 118.698 119.950 -0.080 0.000 2.259 429 F HA -0.012 4.515 4.527 -0.001 0.000 0.298 429 F C 1.937 177.558 175.800 -0.298 0.000 1.088 429 F CA 0.507 58.217 58.000 -0.482 0.000 1.358 429 F CB -0.466 37.823 39.000 -1.186 0.000 1.040 429 F HN 0.146 nan 8.300 nan 0.000 0.505 430 F N -0.653 119.359 119.950 0.103 0.000 2.325 430 F HA -0.146 4.380 4.527 -0.000 0.000 0.299 430 F C 2.689 178.502 175.800 0.022 0.000 1.090 430 F CA 1.302 59.388 58.000 0.144 0.000 1.392 430 F CB -0.793 38.400 39.000 0.322 0.000 1.053 430 F HN -0.098 nan 8.300 nan 0.000 0.521 431 S N 0.277 116.035 115.700 0.098 0.000 2.368 431 S HA -0.145 4.324 4.470 -0.000 0.000 0.224 431 S C 2.148 176.693 174.600 -0.091 0.000 1.029 431 S CA 1.248 59.438 58.200 -0.017 0.000 0.988 431 S CB -0.389 62.781 63.200 -0.051 0.000 0.838 431 S HN 0.323 nan 8.310 nan 0.000 0.462 432 I N 1.350 121.802 120.570 -0.197 0.000 2.142 432 I HA -0.176 3.994 4.170 -0.000 0.000 0.240 432 I C 2.245 178.303 176.117 -0.098 0.000 1.078 432 I CA 1.171 62.351 61.300 -0.201 0.000 1.343 432 I CB -0.424 37.386 38.000 -0.317 0.000 1.046 432 I HN 0.305 nan 8.210 nan 0.000 0.405 433 L N 0.200 121.368 121.223 -0.092 0.000 2.079 433 L HA -0.241 4.098 4.340 -0.000 0.000 0.210 433 L C 2.568 179.433 176.870 -0.007 0.000 1.081 433 L CA 1.321 56.132 54.840 -0.049 0.000 0.752 433 L CB -0.562 41.426 42.059 -0.118 0.000 0.896 433 L HN 0.303 nan 8.230 nan 0.000 0.433 434 L N -0.347 120.882 121.223 0.009 0.000 2.017 434 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 434 L C 2.879 179.753 176.870 0.008 0.000 1.073 434 L CA 1.249 56.107 54.840 0.030 0.000 0.745 434 L CB -0.618 41.465 42.059 0.041 0.000 0.894 434 L HN 0.238 nan 8.230 nan 0.000 0.432 435 A N -1.037 121.775 122.820 -0.013 0.000 1.972 435 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 435 A C 2.077 179.658 177.584 -0.005 0.000 1.169 435 A CA 1.330 53.357 52.037 -0.017 0.000 0.635 435 A CB -0.224 18.754 19.000 -0.038 0.000 0.810 435 A HN 0.430 nan 8.150 nan 0.000 0.446 436 Q N -0.984 118.816 119.800 0.001 0.000 2.319 436 Q HA 0.101 4.441 4.340 -0.000 0.000 0.202 436 Q C -0.486 175.530 176.000 0.025 0.000 0.896 436 Q CA 0.304 56.118 55.803 0.017 0.000 0.942 436 Q CB 0.155 28.912 28.738 0.031 0.000 1.083 436 Q HN 0.771 nan 8.270 nan 0.000 0.510 437 E N 0.839 121.053 120.200 0.023 0.000 2.271 437 E HA -0.226 4.124 4.350 -0.000 0.000 0.223 437 E C -0.401 176.222 176.600 0.038 0.000 1.223 437 E CA 0.231 56.650 56.400 0.031 0.000 0.704 437 E CB -0.932 28.785 29.700 0.027 0.000 1.194 437 E HN 0.403 nan 8.360 nan 0.000 0.375 438 Q N -0.160 119.664 119.800 0.040 0.000 2.129 438 Q HA 0.115 4.455 4.340 -0.000 0.000 0.274 438 Q C 1.021 177.051 176.000 0.049 0.000 0.854 438 Q CA -0.423 55.410 55.803 0.051 0.000 1.123 438 Q CB 0.516 29.293 28.738 0.065 0.000 1.226 438 Q HN 0.198 nan 8.270 nan 0.000 0.454 439 L N 1.032 122.283 121.223 0.047 0.000 2.131 439 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 439 L C 1.953 178.864 176.870 0.069 0.000 1.092 439 L CA 1.870 56.742 54.840 0.053 0.000 0.759 439 L CB -0.104 42.011 42.059 0.092 0.000 0.903 439 L HN 0.281 nan 8.230 nan 0.000 0.435 440 E N -0.737 119.503 120.200 0.067 0.000 2.442 440 E HA -0.074 4.276 4.350 -0.000 0.000 0.195 440 E C 0.814 177.452 176.600 0.063 0.000 1.030 440 E CA -0.083 56.358 56.400 0.067 0.000 0.869 440 E CB 0.149 29.884 29.700 0.059 0.000 0.857 440 E HN 0.329 nan 8.360 nan 0.000 0.505 441 K N 2.035 122.473 120.400 0.064 0.000 2.378 441 K HA 0.241 4.560 4.320 -0.000 0.000 0.288 441 K C -0.410 176.230 176.600 0.067 0.000 1.057 441 K CA -0.231 56.096 56.287 0.065 0.000 0.971 441 K CB 0.601 33.144 32.500 0.072 0.000 0.975 441 K HN -0.121 nan 8.250 nan 0.000 0.475 442 A N 5.231 128.087 122.820 0.061 0.000 2.462 442 A HA 0.327 4.646 4.320 -0.000 0.000 0.243 442 A C -0.451 177.159 177.584 0.043 0.000 1.076 442 A CA -0.239 51.831 52.037 0.055 0.000 0.773 442 A CB 0.162 19.200 19.000 0.063 0.000 1.010 442 A HN 0.772 nan 8.150 nan 0.000 0.493 443 L N 1.676 122.905 121.223 0.010 0.000 2.354 443 L HA 0.419 4.759 4.340 -0.000 0.000 0.269 443 L C -0.829 176.007 176.870 -0.056 0.000 1.005 443 L CA -1.081 53.743 54.840 -0.026 0.000 0.819 443 L CB 2.005 44.019 42.059 -0.077 0.000 1.311 443 L HN 0.570 nan 8.230 nan 0.000 0.423 444 D N 1.076 121.444 120.400 -0.054 0.000 2.210 444 D HA 0.518 5.158 4.640 -0.000 0.000 0.249 444 D C -0.422 175.802 176.300 -0.126 0.000 1.062 444 D CA -0.045 53.929 54.000 -0.044 0.000 0.891 444 D CB 1.818 42.608 40.800 -0.017 0.000 1.186 444 D HN 0.649 nan 8.370 nan 0.000 0.432 445 C N 0.143 119.371 119.300 -0.121 0.000 3.336 445 C HA 0.687 5.147 4.460 -0.000 0.000 0.339 445 C C -1.220 173.711 174.990 -0.099 0.000 1.468 445 C CA -0.807 58.109 59.018 -0.170 0.000 1.287 445 C CB 1.351 28.926 27.740 -0.275 0.000 1.682 445 C HN 0.545 nan 8.230 nan 0.000 0.451 446 Q N 0.307 120.049 119.800 -0.097 0.000 2.377 446 Q HA 0.782 5.122 4.340 -0.000 0.000 0.271 446 Q C -1.398 174.562 176.000 -0.066 0.000 1.077 446 Q CA -0.503 55.280 55.803 -0.034 0.000 0.820 446 Q CB 2.610 31.336 28.738 -0.019 0.000 1.347 446 Q HN 0.712 nan 8.270 nan 0.000 0.444 447 I N 2.495 123.051 120.570 -0.023 0.000 2.468 447 I HA 0.193 4.363 4.170 -0.000 0.000 0.285 447 I C -1.132 175.025 176.117 0.067 0.000 1.039 447 I CA -0.770 60.425 61.300 -0.175 0.000 1.074 447 I CB 1.130 38.751 38.000 -0.632 0.000 1.228 447 I HN 0.669 nan 8.210 nan 0.000 0.436 448 Y N 5.107 125.474 120.300 0.112 0.000 3.589 448 Y HA -0.260 4.289 4.550 -0.000 0.000 0.218 448 Y C 1.456 177.356 175.900 0.001 0.000 1.234 448 Y CA 1.154 59.309 58.100 0.092 0.000 1.576 448 Y CB -1.968 36.556 38.460 0.107 0.000 1.487 448 Y HN 0.980 nan 8.280 nan 0.000 0.616 449 G N -2.149 106.759 108.800 0.179 0.000 2.284 449 G HA2 -0.043 3.916 3.960 -0.000 0.000 0.247 449 G HA3 -0.043 3.916 3.960 -0.000 0.000 0.247 449 G C 0.511 175.449 174.900 0.064 0.000 1.012 449 G CA 0.183 45.343 45.100 0.100 0.000 0.618 449 G HN 1.575 nan 8.290 nan 0.000 0.521 450 A N -0.301 122.576 122.820 0.095 0.000 2.340 450 A HA 0.618 4.938 4.320 -0.000 0.000 0.268 450 A C 0.725 178.164 177.584 -0.241 0.000 1.100 450 A CA 0.530 52.469 52.037 -0.164 0.000 0.803 450 A CB 0.804 19.651 19.000 -0.256 0.000 1.043 450 A HN 1.542 nan 8.150 nan 0.000 0.488 451 C N 2.487 121.546 119.300 -0.400 0.000 2.388 451 C HA 0.756 5.216 4.460 -0.000 0.000 0.362 451 C C -1.021 173.625 174.990 -0.574 0.000 1.266 451 C CA -0.382 58.488 59.018 -0.247 0.000 2.028 451 C CB -1.252 26.503 27.740 0.025 0.000 2.440 451 C HN 0.647 nan 8.230 nan 0.000 0.547 452 Y N 2.651 122.818 120.300 -0.222 0.000 2.512 452 Y HA 0.447 4.997 4.550 -0.000 0.000 0.348 452 Y C 0.309 176.129 175.900 -0.133 0.000 0.990 452 Y CA -0.476 57.454 58.100 -0.283 0.000 1.033 452 Y CB 1.763 39.940 38.460 -0.472 0.000 1.259 452 Y HN 0.576 nan 8.280 nan 0.000 0.461 453 S N 3.617 119.364 115.700 0.077 0.000 2.422 453 S HA 0.701 5.171 4.470 -0.000 0.000 0.298 453 S C -0.883 173.767 174.600 0.083 0.000 1.118 453 S CA -0.301 57.961 58.200 0.103 0.000 1.083 453 S CB -0.400 62.892 63.200 0.152 0.000 0.971 453 S HN 0.530 nan 8.310 nan 0.000 0.478 454 I N 3.782 124.374 120.570 0.037 0.000 2.545 454 I HA 0.369 4.539 4.170 -0.000 0.000 0.292 454 I C -0.120 176.023 176.117 0.043 0.000 1.040 454 I CA -0.667 60.662 61.300 0.049 0.000 1.068 454 I CB 2.229 40.226 38.000 -0.005 0.000 1.251 454 I HN 0.545 nan 8.210 nan 0.000 0.424 455 E N 6.739 126.986 120.200 0.079 0.000 2.130 455 E HA 0.190 4.540 4.350 -0.000 0.000 0.284 455 E C -1.777 174.886 176.600 0.105 0.000 1.018 455 E CA -1.594 54.856 56.400 0.082 0.000 0.817 455 E CB 1.428 31.180 29.700 0.087 0.000 1.078 455 E HN 0.313 nan 8.360 nan 0.000 0.396 456 P HA -0.203 nan 4.420 nan 0.000 0.217 456 P C 0.964 178.426 177.300 0.271 0.000 1.148 456 P CA 1.140 64.335 63.100 0.158 0.000 0.834 456 P CB 0.226 31.962 31.700 0.059 0.000 0.783 457 L N -0.993 120.358 121.223 0.213 0.000 2.362 457 L HA -0.115 4.225 4.340 -0.000 0.000 0.219 457 L C 1.341 178.320 176.870 0.181 0.000 1.134 457 L CA 1.106 56.085 54.840 0.231 0.000 0.807 457 L CB -0.631 41.526 42.059 0.164 0.000 0.927 457 L HN -0.017 nan 8.230 nan 0.000 0.447 458 D N -0.330 120.164 120.400 0.157 0.000 2.340 458 D HA 0.011 4.651 4.640 -0.000 0.000 0.220 458 D C 2.259 178.643 176.300 0.139 0.000 1.039 458 D CA 0.280 54.351 54.000 0.117 0.000 0.866 458 D CB 0.339 41.198 40.800 0.099 0.000 0.913 458 D HN 0.296 nan 8.370 nan 0.000 0.523 459 L N 0.986 122.333 121.223 0.206 0.000 2.043 459 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 459 L C -0.437 176.554 176.870 0.202 0.000 1.075 459 L CA 1.623 56.601 54.840 0.230 0.000 0.752 459 L CB -1.498 40.758 42.059 0.329 0.000 0.891 459 L HN 0.044 nan 8.230 nan 0.000 0.432 460 P HA -0.196 nan 4.420 nan 0.000 0.215 460 P C 1.486 178.853 177.300 0.112 0.000 1.153 460 P CA 1.348 64.505 63.100 0.095 0.000 0.853 460 P CB 0.040 31.649 31.700 -0.152 0.000 0.788 461 Q N -0.892 118.924 119.800 0.026 0.000 2.050 461 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 461 Q C 2.228 178.238 176.000 0.018 0.000 0.980 461 Q CA 1.254 57.055 55.803 -0.004 0.000 0.840 461 Q CB -0.641 28.081 28.738 -0.026 0.000 0.898 461 Q HN 0.255 nan 8.270 nan 0.000 0.424 462 I N 0.543 121.140 120.570 0.044 0.000 2.163 462 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 462 I C 2.212 178.369 176.117 0.066 0.000 1.085 462 I CA 1.266 62.584 61.300 0.030 0.000 1.347 462 I CB -0.302 37.776 38.000 0.130 0.000 1.044 462 I HN 0.230 nan 8.210 nan 0.000 0.408 463 I N 0.388 121.048 120.570 0.150 0.000 2.226 463 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 463 I C 2.640 178.775 176.117 0.030 0.000 1.100 463 I CA 1.433 62.823 61.300 0.149 0.000 1.374 463 I CB -0.432 37.654 38.000 0.142 0.000 1.057 463 I HN 0.309 nan 8.210 nan 0.000 0.413 464 E N 1.119 121.373 120.200 0.090 0.000 2.058 464 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 464 E C 2.429 179.020 176.600 -0.016 0.000 0.997 464 E CA 1.115 57.548 56.400 0.056 0.000 0.801 464 E CB 0.120 29.901 29.700 0.135 0.000 0.746 464 E HN 0.273 nan 8.360 nan 0.000 0.450 465 R N 0.180 120.658 120.500 -0.037 0.000 2.073 465 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 465 R C 2.541 178.767 176.300 -0.124 0.000 1.134 465 R CA 1.089 57.139 56.100 -0.083 0.000 0.952 465 R CB -0.696 29.532 30.300 -0.120 0.000 0.850 465 R HN 0.347 nan 8.270 nan 0.000 0.433 466 L N -0.706 120.413 121.223 -0.172 0.000 2.209 466 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 466 L C 1.970 178.534 176.870 -0.510 0.000 1.094 466 L CA 0.977 55.610 54.840 -0.345 0.000 0.790 466 L CB -0.269 41.534 42.059 -0.426 0.000 0.932 466 L HN 0.262 nan 8.230 nan 0.000 0.447 467 H N -0.990 118.015 119.070 -0.108 0.000 3.058 467 H HA 0.325 4.881 4.556 -0.000 0.000 0.258 467 H C 0.928 176.168 175.328 -0.147 0.000 1.015 467 H CA 0.793 56.758 56.048 -0.137 0.000 1.210 467 H CB 1.074 30.725 29.762 -0.185 0.000 1.481 467 H HN 0.262 nan 8.280 nan 0.000 0.492 468 G N 0.869 109.641 108.800 -0.047 0.000 2.699 468 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.686 468 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.686 468 G C 0.611 175.453 174.900 -0.097 0.000 1.301 468 G CA -0.194 44.878 45.100 -0.048 0.000 0.816 468 G HN 0.203 nan 8.290 nan 0.000 0.595 469 L N 0.995 122.225 121.223 0.012 0.000 2.265 469 L HA -0.113 4.227 4.340 -0.000 0.000 0.215 469 L C 3.186 180.078 176.870 0.035 0.000 1.117 469 L CA 2.171 57.089 54.840 0.129 0.000 0.782 469 L CB -0.493 41.697 42.059 0.219 0.000 0.914 469 L HN 0.917 nan 8.230 nan 0.000 0.441 470 S N -0.023 115.654 115.700 -0.040 0.000 2.440 470 S HA -0.177 4.293 4.470 -0.000 0.000 0.238 470 S C 2.099 176.603 174.600 -0.160 0.000 1.010 470 S CA 0.815 58.976 58.200 -0.065 0.000 0.972 470 S CB -0.394 62.757 63.200 -0.081 0.000 0.774 470 S HN 0.380 nan 8.310 nan 0.000 0.501 471 A N 0.615 123.243 122.820 -0.319 0.000 2.125 471 A HA 0.148 4.468 4.320 -0.000 0.000 0.219 471 A C 1.443 178.795 177.584 -0.388 0.000 1.156 471 A CA 0.951 52.717 52.037 -0.452 0.000 0.671 471 A CB -0.821 17.813 19.000 -0.611 0.000 0.794 471 A HN 0.592 nan 8.150 nan 0.000 0.459 472 F N -0.263 119.702 119.950 0.025 0.000 2.727 472 F HA 0.143 4.670 4.527 -0.000 0.000 0.302 472 F C 1.683 177.527 175.800 0.073 0.000 1.097 472 F CA 0.471 58.509 58.000 0.065 0.000 1.330 472 F CB 0.141 39.215 39.000 0.123 0.000 1.084 472 F HN 0.244 nan 8.300 nan 0.000 0.578 473 S N -1.348 114.451 115.700 0.165 0.000 3.009 473 S HA 0.307 4.777 4.470 -0.000 0.000 0.254 473 S C -0.070 174.605 174.600 0.125 0.000 1.004 473 S CA -0.398 57.900 58.200 0.163 0.000 1.119 473 S CB -0.697 62.594 63.200 0.152 0.000 1.075 473 S HN 0.034 nan 8.310 nan 0.000 0.618 474 L N 3.381 124.587 121.223 -0.028 0.000 2.456 474 L HA 0.427 4.767 4.340 -0.000 0.000 0.272 474 L C 0.576 177.360 176.870 -0.143 0.000 1.189 474 L CA 0.214 54.907 54.840 -0.245 0.000 0.846 474 L CB -0.010 41.753 42.059 -0.493 0.000 1.111 474 L HN 0.680 nan 8.230 nan 0.000 0.475 475 H N -1.378 117.511 119.070 -0.301 0.000 2.918 475 H HA 0.377 4.933 4.556 -0.000 0.000 0.303 475 H C -0.293 174.939 175.328 -0.161 0.000 1.380 475 H CA -0.887 55.086 56.048 -0.126 0.000 1.134 475 H CB 1.035 30.810 29.762 0.021 0.000 1.842 475 H HN 0.372 nan 8.280 nan 0.000 0.533 476 S N -0.481 115.298 115.700 0.132 0.000 3.697 476 S HA -0.223 4.246 4.470 -0.000 0.000 0.388 476 S C -0.640 174.000 174.600 0.068 0.000 0.941 476 S CA 0.435 58.717 58.200 0.137 0.000 1.247 476 S CB -2.389 60.877 63.200 0.110 0.000 0.904 476 S HN 0.521 nan 8.310 nan 0.000 0.518 477 Y N 1.806 122.146 120.300 0.066 0.000 2.296 477 Y HA 0.340 4.890 4.550 -0.001 0.000 0.343 477 Y C 1.437 177.386 175.900 0.080 0.000 1.292 477 Y CA 0.285 58.419 58.100 0.056 0.000 1.490 477 Y CB 0.344 38.835 38.460 0.052 0.000 1.359 477 Y HN 0.520 nan 8.280 nan 0.000 0.599 478 S N 0.832 116.679 115.700 0.245 0.000 2.593 478 S HA 0.134 4.604 4.470 -0.000 0.000 0.269 478 S C -2.043 172.639 174.600 0.137 0.000 1.334 478 S CA -1.033 57.258 58.200 0.152 0.000 1.015 478 S CB 1.156 64.422 63.200 0.110 0.000 0.912 478 S HN 0.427 nan 8.310 nan 0.000 0.541 479 P HA 0.035 nan 4.420 nan 0.000 0.216 479 P C 1.702 179.041 177.300 0.066 0.000 1.150 479 P CA 1.553 64.700 63.100 0.078 0.000 0.837 479 P CB -0.424 31.313 31.700 0.062 0.000 0.786 480 G N -0.122 108.714 108.800 0.059 0.000 2.402 480 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.216 480 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.216 480 G C 1.669 176.597 174.900 0.047 0.000 1.162 480 G CA 0.765 45.891 45.100 0.043 0.000 0.777 480 G HN 0.242 nan 8.290 nan 0.000 0.539 481 E N 0.702 120.948 120.200 0.078 0.000 2.047 481 E HA -0.049 4.301 4.350 -0.000 0.000 0.191 481 E C 2.442 179.082 176.600 0.067 0.000 0.987 481 E CA 0.760 57.218 56.400 0.095 0.000 0.799 481 E CB -0.392 29.423 29.700 0.192 0.000 0.752 481 E HN 0.493 nan 8.360 nan 0.000 0.449 482 I N 0.842 121.458 120.570 0.077 0.000 2.163 482 I HA -0.307 3.862 4.170 -0.000 0.000 0.243 482 I C 1.991 178.126 176.117 0.030 0.000 1.085 482 I CA 1.178 62.506 61.300 0.047 0.000 1.347 482 I CB -0.463 37.581 38.000 0.073 0.000 1.044 482 I HN 0.179 nan 8.210 nan 0.000 0.408 483 N N 0.711 119.432 118.700 0.034 0.000 2.120 483 N HA -0.214 4.525 4.740 -0.000 0.000 0.188 483 N C 1.926 177.440 175.510 0.006 0.000 1.024 483 N CA 1.241 54.304 53.050 0.022 0.000 0.852 483 N CB -0.426 38.076 38.487 0.024 0.000 1.003 483 N HN 0.364 nan 8.380 nan 0.000 0.424 484 R N 0.894 121.394 120.500 -0.001 0.000 2.075 484 R HA -0.019 4.321 4.340 -0.000 0.000 0.232 484 R C 1.986 178.256 176.300 -0.050 0.000 1.126 484 R CA 0.857 56.940 56.100 -0.028 0.000 0.963 484 R CB -0.100 30.177 30.300 -0.039 0.000 0.858 484 R HN -0.047 nan 8.270 nan 0.000 0.435 485 V N 1.026 120.918 119.914 -0.038 0.000 2.295 485 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 485 V C 2.474 178.551 176.094 -0.029 0.000 1.049 485 V CA 1.927 64.197 62.300 -0.050 0.000 1.024 485 V CB -0.743 31.069 31.823 -0.018 0.000 0.648 485 V HN 0.554 nan 8.190 nan 0.000 0.447 486 A N -0.295 122.521 122.820 -0.006 0.000 1.883 486 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 486 A C 2.488 180.077 177.584 0.008 0.000 1.186 486 A CA 2.428 54.471 52.037 0.011 0.000 0.624 486 A CB -0.824 18.189 19.000 0.021 0.000 0.822 486 A HN 0.512 nan 8.150 nan 0.000 0.444 487 S N -1.289 114.411 115.700 0.000 0.000 2.370 487 S HA -0.226 4.244 4.470 -0.000 0.000 0.226 487 S C 2.040 176.639 174.600 -0.001 0.000 1.033 487 S CA 1.297 59.498 58.200 0.003 0.000 1.011 487 S CB -0.918 62.280 63.200 -0.003 0.000 0.852 487 S HN 0.790 nan 8.310 nan 0.000 0.457 488 C N 1.968 121.252 119.300 -0.026 0.000 2.429 488 C HA 0.018 4.478 4.460 -0.000 0.000 0.277 488 C C 2.430 177.412 174.990 -0.013 0.000 1.262 488 C CA 0.538 59.533 59.018 -0.038 0.000 1.733 488 C CB -1.611 26.068 27.740 -0.102 0.000 2.010 488 C HN 0.577 nan 8.230 nan 0.000 0.483 489 L N 0.307 121.527 121.223 -0.005 0.000 2.083 489 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 489 L C 3.034 179.912 176.870 0.013 0.000 1.083 489 L CA 1.676 56.527 54.840 0.018 0.000 0.752 489 L CB -0.843 41.246 42.059 0.049 0.000 0.899 489 L HN 0.370 nan 8.230 nan 0.000 0.433 490 R N 0.248 120.763 120.500 0.026 0.000 2.075 490 R HA -0.165 4.174 4.340 -0.000 0.000 0.232 490 R C 2.358 178.710 176.300 0.087 0.000 1.126 490 R CA 1.223 57.350 56.100 0.045 0.000 0.963 490 R CB -0.211 30.119 30.300 0.049 0.000 0.858 490 R HN 0.291 nan 8.270 nan 0.000 0.435 491 K N 0.733 121.180 120.400 0.078 0.000 2.026 491 K HA -0.146 4.173 4.320 -0.000 0.000 0.208 491 K C 1.572 178.290 176.600 0.196 0.000 1.048 491 K CA 1.299 57.658 56.287 0.121 0.000 0.929 491 K CB 0.083 32.624 32.500 0.068 0.000 0.713 491 K HN -0.000 nan 8.250 nan 0.000 0.439 492 L N -0.275 121.000 121.223 0.086 0.000 2.509 492 L HA 0.212 4.552 4.340 -0.000 0.000 0.222 492 L C 1.055 177.797 176.870 -0.215 0.000 1.123 492 L CA 1.076 55.944 54.840 0.046 0.000 0.856 492 L CB 0.183 42.261 42.059 0.032 0.000 0.985 492 L HN 0.475 nan 8.230 nan 0.000 0.456 493 G N 0.080 108.657 108.800 -0.371 0.000 2.248 493 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.263 493 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.263 493 G C 0.026 174.780 174.900 -0.245 0.000 1.082 493 G CA 0.085 44.803 45.100 -0.638 0.000 0.863 493 G HN 0.089 nan 8.290 nan 0.000 0.495 494 V N 0.626 120.498 119.914 -0.071 0.000 2.607 494 V HA 0.423 4.543 4.120 -0.000 0.000 0.289 494 V C -1.045 175.116 176.094 0.113 0.000 1.053 494 V CA -1.433 60.916 62.300 0.081 0.000 0.996 494 V CB 1.420 33.339 31.823 0.161 0.000 0.995 494 V HN 0.215 nan 8.190 nan 0.000 0.476 495 P HA 0.146 nan 4.420 nan 0.000 0.268 495 P C -2.432 174.937 177.300 0.116 0.000 1.208 495 P CA -0.667 62.410 63.100 -0.038 0.000 0.777 495 P CB -0.082 31.393 31.700 -0.374 0.000 0.875 496 P HA 0.030 nan 4.420 nan 0.000 0.277 496 P C 0.734 178.169 177.300 0.225 0.000 1.271 496 P CA -0.415 62.766 63.100 0.136 0.000 0.795 496 P CB 0.644 32.382 31.700 0.064 0.000 1.101 497 L N 1.928 123.300 121.223 0.249 0.000 2.021 497 L HA -0.236 4.103 4.340 -0.000 0.000 0.215 497 L C 2.807 179.839 176.870 0.271 0.000 1.074 497 L CA 2.300 57.317 54.840 0.296 0.000 0.760 497 L CB -1.284 40.895 42.059 0.201 0.000 0.889 497 L HN 0.412 nan 8.230 nan 0.000 0.433 498 R N -1.317 119.279 120.500 0.159 0.000 2.105 498 R HA -0.132 4.208 4.340 -0.000 0.000 0.239 498 R C 1.844 178.201 176.300 0.095 0.000 1.135 498 R CA 1.865 58.037 56.100 0.121 0.000 0.967 498 R CB -1.457 28.876 30.300 0.055 0.000 0.861 498 R HN 0.368 nan 8.270 nan 0.000 0.442 499 V N 0.311 120.223 119.914 -0.003 0.000 2.323 499 V HA -0.161 3.959 4.120 -0.000 0.000 0.244 499 V C 2.015 178.057 176.094 -0.088 0.000 1.041 499 V CA 1.723 63.938 62.300 -0.141 0.000 1.025 499 V CB -0.693 30.912 31.823 -0.364 0.000 0.656 499 V HN 0.383 nan 8.190 nan 0.000 0.451 500 W N 0.300 121.707 121.300 0.178 0.000 2.363 500 W HA -0.119 4.540 4.660 -0.001 0.000 0.296 500 W C 2.753 179.477 176.519 0.342 0.000 1.212 500 W CA 1.427 58.927 57.345 0.258 0.000 1.260 500 W CB -0.210 29.412 29.460 0.270 0.000 1.131 500 W HN 0.081 nan 8.180 nan 0.000 0.530 501 R N -0.334 120.482 120.500 0.525 0.000 2.075 501 R HA -0.205 4.135 4.340 -0.000 0.000 0.232 501 R C 2.077 178.457 176.300 0.134 0.000 1.126 501 R CA 2.067 58.376 56.100 0.348 0.000 0.963 501 R CB -0.740 29.757 30.300 0.327 0.000 0.858 501 R HN 0.204 nan 8.270 nan 0.000 0.435 502 H N 0.279 119.383 119.070 0.056 0.000 2.290 502 H HA -0.051 4.505 4.556 -0.000 0.000 0.298 502 H C 2.029 177.331 175.328 -0.043 0.000 1.087 502 H CA 2.412 58.450 56.048 -0.017 0.000 1.291 502 H CB 0.118 29.859 29.762 -0.036 0.000 1.369 502 H HN 0.159 nan 8.280 nan 0.000 0.492 503 R N -0.305 120.239 120.500 0.073 0.000 2.096 503 R HA -0.060 4.280 4.340 -0.000 0.000 0.235 503 R C 2.547 178.792 176.300 -0.093 0.000 1.127 503 R CA 0.970 57.070 56.100 0.001 0.000 0.968 503 R CB -0.256 30.090 30.300 0.077 0.000 0.861 503 R HN 0.380 nan 8.270 nan 0.000 0.440 504 A N 1.252 124.037 122.820 -0.059 0.000 1.933 504 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 504 A C 2.050 179.356 177.584 -0.464 0.000 1.175 504 A CA 1.119 52.964 52.037 -0.320 0.000 0.628 504 A CB -0.308 18.513 19.000 -0.298 0.000 0.814 504 A HN 0.208 nan 8.150 nan 0.000 0.444 505 R N -0.664 119.633 120.500 -0.339 0.000 2.081 505 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 505 R C 2.638 178.761 176.300 -0.295 0.000 1.131 505 R CA 1.462 57.376 56.100 -0.310 0.000 0.960 505 R CB -0.406 29.733 30.300 -0.267 0.000 0.856 505 R HN 0.573 nan 8.270 nan 0.000 0.436 506 S N 0.360 115.882 115.700 -0.298 0.000 2.355 506 S HA -0.092 4.378 4.470 -0.000 0.000 0.222 506 S C 2.068 176.531 174.600 -0.230 0.000 1.031 506 S CA 1.171 59.228 58.200 -0.239 0.000 0.993 506 S CB -0.116 62.957 63.200 -0.211 0.000 0.859 506 S HN 0.104 nan 8.310 nan 0.000 0.453 507 V N 2.548 122.278 119.914 -0.306 0.000 2.332 507 V HA -0.155 3.965 4.120 -0.000 0.000 0.248 507 V C 2.731 178.606 176.094 -0.365 0.000 1.055 507 V CA 2.289 64.380 62.300 -0.349 0.000 1.038 507 V CB -0.857 30.631 31.823 -0.559 0.000 0.651 507 V HN 0.544 nan 8.190 nan 0.000 0.450 508 R N 0.421 120.644 120.500 -0.463 0.000 2.073 508 R HA -0.158 4.182 4.340 -0.000 0.000 0.234 508 R C 2.279 178.497 176.300 -0.137 0.000 1.134 508 R CA 1.767 57.714 56.100 -0.255 0.000 0.952 508 R CB -0.500 29.667 30.300 -0.221 0.000 0.850 508 R HN 0.452 nan 8.270 nan 0.000 0.433 509 A N 0.925 123.654 122.820 -0.151 0.000 1.902 509 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 509 A C 2.214 179.756 177.584 -0.070 0.000 1.181 509 A CA 1.578 53.553 52.037 -0.102 0.000 0.623 509 A CB -0.426 18.507 19.000 -0.111 0.000 0.818 509 A HN 0.357 nan 8.150 nan 0.000 0.443 510 R N -0.490 119.964 120.500 -0.076 0.000 2.073 510 R HA -0.006 4.334 4.340 -0.000 0.000 0.234 510 R C 2.084 178.383 176.300 -0.003 0.000 1.134 510 R CA 1.499 57.576 56.100 -0.038 0.000 0.952 510 R CB -0.541 29.736 30.300 -0.038 0.000 0.850 510 R HN 0.535 nan 8.270 nan 0.000 0.433 511 L N 0.230 121.458 121.223 0.008 0.000 2.046 511 L HA -0.200 4.139 4.340 -0.000 0.000 0.208 511 L C 2.246 179.141 176.870 0.042 0.000 1.077 511 L CA 1.199 56.075 54.840 0.061 0.000 0.747 511 L CB -0.453 41.667 42.059 0.102 0.000 0.896 511 L HN 0.222 nan 8.230 nan 0.000 0.432 512 L N -1.006 120.224 121.223 0.011 0.000 2.042 512 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 512 L C 2.697 179.571 176.870 0.006 0.000 1.076 512 L CA 1.159 56.002 54.840 0.005 0.000 0.749 512 L CB -0.540 41.507 42.059 -0.020 0.000 0.893 512 L HN 0.196 nan 8.230 nan 0.000 0.432 513 S N -0.642 115.057 115.700 -0.001 0.000 2.419 513 S HA -0.226 4.244 4.470 -0.000 0.000 0.235 513 S C 1.825 176.432 174.600 0.012 0.000 1.019 513 S CA 1.219 59.419 58.200 -0.000 0.000 0.982 513 S CB -0.192 63.004 63.200 -0.007 0.000 0.789 513 S HN 0.504 nan 8.310 nan 0.000 0.490 514 Q N 0.203 120.017 119.800 0.024 0.000 2.424 514 Q HA 0.254 4.594 4.340 -0.000 0.000 0.204 514 Q C 1.370 177.391 176.000 0.036 0.000 0.933 514 Q CA 0.278 56.101 55.803 0.033 0.000 0.929 514 Q CB -0.006 28.762 28.738 0.049 0.000 1.037 514 Q HN 0.534 nan 8.270 nan 0.000 0.511 515 G N 0.532 109.352 108.800 0.034 0.000 2.641 515 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.254 515 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.254 515 G C 0.473 175.399 174.900 0.044 0.000 1.315 515 G CA -0.209 44.911 45.100 0.034 0.000 0.907 515 G HN 0.739 nan 8.290 nan 0.000 0.572 516 G N -1.096 107.728 108.800 0.039 0.000 2.581 516 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.291 516 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.291 516 G C 1.141 176.073 174.900 0.053 0.000 1.277 516 G CA 1.390 46.515 45.100 0.043 0.000 0.959 516 G HN 1.442 nan 8.290 nan 0.000 0.554 517 R N 0.175 120.710 120.500 0.059 0.000 2.120 517 R HA 0.018 4.358 4.340 -0.000 0.000 0.234 517 R C 3.209 179.570 176.300 0.102 0.000 1.123 517 R CA 1.880 58.022 56.100 0.070 0.000 0.975 517 R CB -0.583 29.764 30.300 0.077 0.000 0.866 517 R HN 0.685 nan 8.270 nan 0.000 0.446 518 A N 1.297 124.185 122.820 0.114 0.000 1.902 518 A HA -0.144 4.175 4.320 -0.000 0.000 0.217 518 A C 2.376 180.031 177.584 0.118 0.000 1.181 518 A CA 1.746 53.872 52.037 0.148 0.000 0.623 518 A CB -0.595 18.484 19.000 0.131 0.000 0.818 518 A HN 0.396 nan 8.150 nan 0.000 0.443 519 A N -1.105 121.765 122.820 0.083 0.000 1.933 519 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 519 A C 2.278 179.907 177.584 0.076 0.000 1.175 519 A CA 2.238 54.314 52.037 0.064 0.000 0.628 519 A CB -1.184 17.843 19.000 0.046 0.000 0.814 519 A HN 0.438 nan 8.150 nan 0.000 0.444 520 T N -0.867 113.739 114.554 0.087 0.000 2.777 520 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 520 T C 1.897 176.661 174.700 0.106 0.000 1.040 520 T CA 1.501 63.672 62.100 0.118 0.000 1.141 520 T CB -0.647 68.240 68.868 0.031 0.000 0.868 520 T HN 0.576 nan 8.240 nan 0.000 0.444 521 C N 1.381 120.722 119.300 0.069 0.000 2.429 521 C HA 0.024 4.484 4.460 -0.000 0.000 0.277 521 C C 3.110 178.100 174.990 0.000 0.000 1.262 521 C CA 0.591 59.610 59.018 0.002 0.000 1.733 521 C CB -1.499 26.286 27.740 0.075 0.000 2.010 521 C HN 0.729 nan 8.230 nan 0.000 0.483 522 G N -0.062 108.795 108.800 0.094 0.000 2.418 522 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 522 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 522 G C 1.642 176.580 174.900 0.063 0.000 1.158 522 G CA 1.074 46.267 45.100 0.155 0.000 0.771 522 G HN 0.635 nan 8.290 nan 0.000 0.545 523 K N -0.899 119.497 120.400 -0.007 0.000 2.025 523 K HA -0.072 4.248 4.320 -0.000 0.000 0.207 523 K C 2.179 178.574 176.600 -0.341 0.000 1.049 523 K CA 1.211 57.408 56.287 -0.151 0.000 0.933 523 K CB -0.220 32.195 32.500 -0.141 0.000 0.714 523 K HN 0.414 nan 8.250 nan 0.000 0.438 524 Y N 0.438 120.534 120.300 -0.340 0.000 2.301 524 Y HA 0.054 4.603 4.550 -0.000 0.000 0.295 524 Y C 1.958 177.536 175.900 -0.537 0.000 1.126 524 Y CA 0.529 58.236 58.100 -0.655 0.000 1.154 524 Y CB -0.095 37.620 38.460 -1.242 0.000 1.075 524 Y HN -0.075 nan 8.280 nan 0.000 0.534 525 L N -1.511 119.520 121.223 -0.321 0.000 2.131 525 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 525 L C 0.784 177.292 176.870 -0.604 0.000 1.092 525 L CA 1.471 56.042 54.840 -0.448 0.000 0.759 525 L CB -0.399 41.142 42.059 -0.864 0.000 0.903 525 L HN 0.190 nan 8.230 nan 0.000 0.435 526 F N -1.681 118.213 119.950 -0.095 0.000 2.698 526 F HA 0.171 4.698 4.527 -0.000 0.000 0.304 526 F C 1.741 177.247 175.800 -0.489 0.000 1.108 526 F CA -0.357 57.411 58.000 -0.388 0.000 1.263 526 F CB -0.793 37.964 39.000 -0.404 0.000 1.013 526 F HN 0.031 nan 8.300 nan 0.000 0.532 527 N N 1.142 119.768 118.700 -0.124 0.000 2.272 527 N HA -0.193 4.547 4.740 -0.000 0.000 0.185 527 N C 1.945 177.433 175.510 -0.037 0.000 1.014 527 N CA 1.555 54.548 53.050 -0.096 0.000 0.870 527 N CB -0.114 38.334 38.487 -0.065 0.000 0.975 527 N HN 0.599 nan 8.380 nan 0.000 0.433 528 W N 0.218 121.560 121.300 0.071 0.000 2.421 528 W HA 0.043 4.704 4.660 0.000 0.000 0.270 528 W C 1.478 178.055 176.519 0.096 0.000 1.233 528 W CA 0.627 58.023 57.345 0.085 0.000 1.226 528 W CB -0.626 28.895 29.460 0.101 0.000 1.121 528 W HN -0.008 nan 8.180 nan 0.000 0.579 529 A N 1.621 124.071 122.820 -0.616 0.000 2.072 529 A HA 0.151 4.471 4.320 -0.000 0.000 0.216 529 A C 1.297 178.754 177.584 -0.211 0.000 1.156 529 A CA 1.087 52.778 52.037 -0.577 0.000 0.701 529 A CB -0.925 17.478 19.000 -0.996 0.000 0.816 529 A HN 0.131 nan 8.150 nan 0.000 0.458 530 V N -3.110 116.707 119.914 -0.162 0.000 3.170 530 V HA 0.369 4.488 4.120 -0.000 0.000 0.309 530 V C 0.881 176.953 176.094 -0.037 0.000 1.071 530 V CA -0.508 61.734 62.300 -0.096 0.000 1.063 530 V CB 1.111 32.873 31.823 -0.102 0.000 1.123 530 V HN 0.334 nan 8.190 nan 0.000 0.464 531 K N 0.413 120.794 120.400 -0.032 0.000 2.044 531 K HA 0.102 4.422 4.320 -0.000 0.000 0.204 531 K C 0.663 177.249 176.600 -0.022 0.000 1.045 531 K CA 1.268 57.546 56.287 -0.015 0.000 0.951 531 K CB -0.153 32.339 32.500 -0.014 0.000 0.738 531 K HN 0.768 nan 8.250 nan 0.000 0.443 532 T N 3.551 118.085 114.554 -0.033 0.000 2.997 532 T HA 0.146 4.496 4.350 -0.000 0.000 0.311 532 T C -0.304 174.369 174.700 -0.046 0.000 1.079 532 T CA -0.472 61.606 62.100 -0.035 0.000 0.982 532 T CB 0.515 69.362 68.868 -0.035 0.000 1.032 532 T HN -0.027 nan 8.240 nan 0.000 0.581 533 K N 2.417 122.792 120.400 -0.041 0.000 2.455 533 K HA 0.191 4.511 4.320 -0.000 0.000 0.269 533 K C 0.266 176.825 176.600 -0.067 0.000 0.972 533 K CA -0.326 55.931 56.287 -0.050 0.000 0.938 533 K CB 0.423 32.904 32.500 -0.032 0.000 0.931 533 K HN 0.255 nan 8.250 nan 0.000 0.507 534 L N 0.864 122.027 121.223 -0.099 0.000 2.544 534 L HA 0.242 4.582 4.340 -0.000 0.000 0.256 534 L C 0.633 177.430 176.870 -0.122 0.000 1.097 534 L CA -0.251 54.517 54.840 -0.119 0.000 0.812 534 L CB 0.160 42.118 42.059 -0.168 0.000 1.440 534 L HN 0.521 nan 8.230 nan 0.000 0.496 535 K N 0.837 121.164 120.400 -0.121 0.000 2.121 535 K HA 0.248 4.568 4.320 -0.000 0.000 0.235 535 K C -0.998 175.523 176.600 -0.131 0.000 1.200 535 K CA -0.222 56.012 56.287 -0.090 0.000 1.115 535 K CB -0.522 31.945 32.500 -0.054 0.000 1.474 535 K HN 0.113 nan 8.250 nan 0.000 0.295 536 L N 3.390 124.535 121.223 -0.130 0.000 2.536 536 L HA 0.063 4.403 4.340 -0.000 0.000 0.282 536 L C 0.413 177.339 176.870 0.093 0.000 1.174 536 L CA 0.692 55.462 54.840 -0.117 0.000 0.989 536 L CB -0.234 41.799 42.059 -0.043 0.000 1.311 536 L HN 0.745 nan 8.230 nan 0.000 0.455 537 T N 0.993 115.654 114.554 0.178 0.000 2.927 537 T HA 0.755 5.105 4.350 -0.000 0.000 0.286 537 T C -2.489 172.360 174.700 0.249 0.000 1.040 537 T CA -2.281 59.928 62.100 0.182 0.000 1.010 537 T CB 1.716 70.651 68.868 0.112 0.000 1.177 537 T HN 0.068 nan 8.240 nan 0.000 0.546 538 P HA 0.338 nan 4.420 nan 0.000 0.273 538 P C -0.754 176.559 177.300 0.022 0.000 1.252 538 P CA -0.266 62.881 63.100 0.078 0.000 0.809 538 P CB 0.254 31.983 31.700 0.049 0.000 1.017 539 I N -0.233 120.308 120.570 -0.049 0.000 2.582 539 I HA 0.269 4.438 4.170 -0.000 0.000 0.292 539 I C -1.702 174.382 176.117 -0.055 0.000 1.066 539 I CA -2.152 59.090 61.300 -0.096 0.000 1.053 539 I CB 1.925 39.786 38.000 -0.231 0.000 1.241 539 I HN 0.264 nan 8.210 nan 0.000 0.421 540 P HA -0.133 nan 4.420 nan 0.000 0.203 540 P C 1.457 178.738 177.300 -0.031 0.000 0.968 540 P CA 1.004 64.089 63.100 -0.025 0.000 0.904 540 P CB 0.060 31.751 31.700 -0.015 0.000 0.646 541 A N -0.191 122.612 122.820 -0.029 0.000 2.171 541 A HA -0.248 4.072 4.320 -0.000 0.000 0.223 541 A C 2.136 179.696 177.584 -0.039 0.000 1.166 541 A CA 2.062 54.082 52.037 -0.028 0.000 0.668 541 A CB -1.805 17.183 19.000 -0.019 0.000 0.807 541 A HN 0.313 nan 8.150 nan 0.000 0.475 542 A N -0.039 122.751 122.820 -0.049 0.000 2.285 542 A HA -0.010 4.309 4.320 -0.000 0.000 0.214 542 A C 2.056 179.602 177.584 -0.064 0.000 1.188 542 A CA 1.848 53.850 52.037 -0.058 0.000 0.707 542 A CB -0.704 18.259 19.000 -0.062 0.000 0.771 542 A HN 1.193 nan 8.150 nan 0.000 0.488 543 S N -1.235 114.433 115.700 -0.054 0.000 2.554 543 S HA 0.067 4.536 4.470 -0.000 0.000 0.226 543 S C 1.315 175.880 174.600 -0.058 0.000 0.980 543 S CA 0.257 58.422 58.200 -0.058 0.000 0.939 543 S CB -0.158 63.017 63.200 -0.043 0.000 0.832 543 S HN 0.825 nan 8.310 nan 0.000 0.486 544 Q N 0.560 120.327 119.800 -0.054 0.000 2.356 544 Q HA 0.386 4.726 4.340 -0.000 0.000 0.205 544 Q C 0.253 176.217 176.000 -0.061 0.000 0.901 544 Q CA -0.237 55.537 55.803 -0.048 0.000 0.938 544 Q CB -0.231 28.488 28.738 -0.031 0.000 1.081 544 Q HN 0.447 nan 8.270 nan 0.000 0.517 545 L N 2.567 123.739 121.223 -0.086 0.000 2.380 545 L HA 0.159 4.498 4.340 -0.000 0.000 0.273 545 L C 0.053 176.825 176.870 -0.164 0.000 1.138 545 L CA -0.351 54.419 54.840 -0.116 0.000 0.832 545 L CB 0.764 42.732 42.059 -0.152 0.000 1.124 545 L HN 0.170 nan 8.230 nan 0.000 0.454 546 D N 4.264 124.575 120.400 -0.149 0.000 2.468 546 D HA 0.111 4.751 4.640 -0.000 0.000 0.218 546 D C 0.210 176.329 176.300 -0.302 0.000 1.155 546 D CA -0.337 53.565 54.000 -0.163 0.000 0.924 546 D CB 1.084 41.835 40.800 -0.082 0.000 1.029 546 D HN 0.281 nan 8.370 nan 0.000 0.515 547 L N 2.853 123.813 121.223 -0.438 0.000 2.685 547 L HA 0.056 4.396 4.340 -0.000 0.000 0.233 547 L C 1.004 177.621 176.870 -0.423 0.000 1.173 547 L CA 0.057 54.425 54.840 -0.787 0.000 0.961 547 L CB -0.335 41.233 42.059 -0.819 0.000 1.217 547 L HN 0.268 nan 8.230 nan 0.000 0.478 548 S N -0.579 114.996 115.700 -0.208 0.000 2.416 548 S HA 0.592 5.062 4.470 -0.000 0.000 0.302 548 S C 1.074 175.663 174.600 -0.019 0.000 1.120 548 S CA 0.131 58.283 58.200 -0.081 0.000 1.067 548 S CB 0.525 63.691 63.200 -0.057 0.000 1.057 548 S HN 0.470 nan 8.310 nan 0.000 0.518 549 G N 2.811 111.636 108.800 0.043 0.000 2.738 549 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.195 549 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.195 549 G C 0.468 175.488 174.900 0.200 0.000 1.001 549 G CA -0.169 44.980 45.100 0.083 0.000 0.759 549 G HN 0.568 nan 8.290 nan 0.000 0.494 550 W N 0.851 122.000 121.300 -0.252 0.000 2.381 550 W HA 0.398 5.058 4.660 -0.001 0.000 0.301 550 W C 0.934 177.003 176.519 -0.750 0.000 1.205 550 W CA 1.079 58.013 57.345 -0.684 0.000 1.285 550 W CB -0.381 28.395 29.460 -1.140 0.000 1.133 550 W HN 0.177 nan 8.180 nan 0.000 0.521 551 F N -0.636 119.486 119.950 0.286 0.000 2.471 551 F HA 0.315 4.841 4.527 -0.000 0.000 0.318 551 F C 0.551 176.494 175.800 0.239 0.000 1.308 551 F CA -0.539 57.638 58.000 0.295 0.000 1.162 551 F CB -0.146 38.985 39.000 0.219 0.000 1.383 551 F HN -0.397 nan 8.300 nan 0.000 0.552 552 V N -0.142 119.983 119.914 0.352 0.000 2.996 552 V HA 0.618 4.738 4.120 -0.000 0.000 0.235 552 V C 0.877 177.118 176.094 0.245 0.000 1.205 552 V CA 0.572 63.018 62.300 0.243 0.000 1.225 552 V CB 0.389 32.327 31.823 0.192 0.000 0.995 552 V HN 0.416 nan 8.190 nan 0.000 0.484 553 A N -0.552 122.383 122.820 0.191 0.000 2.593 553 A HA 0.803 5.123 4.320 -0.000 0.000 0.290 553 A C -0.278 176.998 177.584 -0.513 0.000 1.126 553 A CA 0.068 52.078 52.037 -0.045 0.000 0.695 553 A CB 1.155 19.991 19.000 -0.273 0.000 1.290 553 A HN 0.410 nan 8.150 nan 0.000 0.414 554 G N -1.361 106.809 108.800 -1.051 0.000 2.389 554 G HA2 0.543 4.503 3.960 -0.000 0.000 0.317 554 G HA3 0.543 4.503 3.960 -0.000 0.000 0.317 554 G C -0.902 173.336 174.900 -1.104 0.000 1.137 554 G CA -0.088 44.016 45.100 -1.660 0.000 0.870 554 G HN 0.596 nan 8.290 nan 0.000 0.496 555 Y N 0.700 120.795 120.300 -0.342 0.000 2.768 555 Y HA 0.299 4.849 4.550 -0.000 0.000 0.249 555 Y C 1.365 177.198 175.900 -0.113 0.000 1.146 555 Y CA -0.776 57.227 58.100 -0.161 0.000 1.171 555 Y CB 0.520 38.926 38.460 -0.090 0.000 1.249 555 Y HN 0.501 nan 8.280 nan 0.000 0.567 556 S N 0.760 116.443 115.700 -0.029 0.000 2.575 556 S HA 0.305 4.775 4.470 -0.000 0.000 0.295 556 S C 1.462 176.086 174.600 0.041 0.000 1.267 556 S CA 1.521 59.734 58.200 0.022 0.000 1.074 556 S CB 0.001 63.218 63.200 0.029 0.000 0.829 556 S HN 1.038 nan 8.310 nan 0.000 0.497 557 G N 3.610 112.436 108.800 0.043 0.000 2.212 557 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.266 557 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.266 557 G C 0.883 175.818 174.900 0.059 0.000 0.978 557 G CA 0.430 45.559 45.100 0.049 0.000 0.632 557 G HN 1.334 nan 8.290 nan 0.000 0.537 558 G N -0.043 108.800 108.800 0.071 0.000 2.920 558 G HA2 0.352 4.312 3.960 -0.000 0.000 0.208 558 G HA3 0.352 4.312 3.960 -0.000 0.000 0.208 558 G C 0.527 175.460 174.900 0.054 0.000 1.159 558 G CA 1.175 46.334 45.100 0.099 0.000 0.784 558 G HN 1.271 nan 8.290 nan 0.000 0.535 559 D N -0.579 119.821 120.400 0.000 0.000 2.705 559 D HA -0.162 4.478 4.640 -0.000 0.000 0.240 559 D C -0.156 176.096 176.300 -0.080 0.000 1.137 559 D CA 0.346 54.321 54.000 -0.041 0.000 0.677 559 D CB -1.145 39.645 40.800 -0.016 0.000 1.049 559 D HN 0.100 nan 8.370 nan 0.000 0.427 560 I N 1.412 121.893 120.570 -0.148 0.000 2.404 560 I HA 0.379 4.549 4.170 -0.000 0.000 0.293 560 I C -0.168 175.712 176.117 -0.395 0.000 0.992 560 I CA -0.776 60.328 61.300 -0.328 0.000 1.149 560 I CB 1.301 38.957 38.000 -0.573 0.000 1.315 560 I HN 0.121 nan 8.210 nan 0.000 0.446 561 Y N 6.347 126.307 120.300 -0.566 0.000 2.346 561 Y HA 0.474 5.023 4.550 -0.000 0.000 0.332 561 Y C -0.215 175.340 175.900 -0.575 0.000 0.985 561 Y CA -0.387 57.393 58.100 -0.533 0.000 1.112 561 Y CB 0.948 39.228 38.460 -0.301 0.000 1.170 561 Y HN 0.548 nan 8.280 nan 0.000 0.447 562 H N 1.984 120.374 119.070 -1.133 0.000 3.547 562 H HA 0.746 5.302 4.556 -0.000 0.000 0.202 562 H C -0.394 174.298 175.328 -1.059 0.000 1.614 562 H CA -0.712 54.788 56.048 -0.914 0.000 1.663 562 H CB 1.225 30.494 29.762 -0.821 0.000 1.038 562 H HN 0.611 nan 8.280 nan 0.000 0.903 563 S N 0.000 115.493 115.700 -0.345 0.000 2.498 563 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 563 S CA 0.000 58.073 58.200 -0.212 0.000 1.107 563 S CB 0.000 63.117 63.200 -0.138 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517