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 3hlm_1_C DATA FIRST_RESID 30 DATA SEQUENCE SSWWTHVEMG PPDPILGVTE AFKRDTNSKK MNLGVGAYRD DNGKPYVLPS DATA SEQUENCE VRKAEAQIAA KNLDKEYLPI GGLAEFCKAS AELALGENNE VLKSGRFVTV DATA SEQUENCE QTISGTGALR VGASFLQRFF KFSRDVFLPK PSWGNHTPIF RDAGMQLQGY DATA SEQUENCE RYYDPKTCGF DFSGALEDIS KIPEQSVLLL HACAHNPTGV DPRPEQWKEI DATA SEQUENCE ASVVKKKNLF AFFDMAYQGF ASGDGDKDAW AVRHFIEQGI NVCLCQSYAX DATA SEQUENCE NMGLYGERVG AFTVVCKDAE EAKRVESQLK ILIRPLYSNP PLNGARIAAT DATA SEQUENCE ILTSPDLRKQ WLQEVKGMAD RIISMRTQLV SNLKKEGSSH NWQHITDQIG DATA SEQUENCE MFCFTGLKPE QVERLTKEFS VYMTKDGRIS VAGVTSGNVG YLAHAIHQVT DATA SEQUENCE K 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 30 S HA 0.000 nan 4.470 nan 0.000 0.327 30 S C 0.000 174.475 174.600 -0.209 0.000 1.055 30 S CA 0.000 58.093 58.200 -0.178 0.000 1.107 30 S CB 0.000 63.061 63.200 -0.231 0.000 0.593 31 S N 0.949 116.476 115.700 -0.288 0.000 2.656 31 S HA 0.425 4.897 4.470 0.002 0.000 0.265 31 S C -1.130 173.222 174.600 -0.414 0.000 1.110 31 S CA -0.426 57.571 58.200 -0.339 0.000 0.821 31 S CB -0.122 63.016 63.200 -0.103 0.000 1.099 31 S HN 0.772 nan 8.310 nan 0.000 0.471 32 W N 0.443 121.497 121.300 -0.411 0.000 2.518 32 W HA 0.238 4.899 4.660 0.002 0.000 0.273 32 W C 0.771 176.964 176.519 -0.543 0.000 1.247 32 W CA -0.059 56.783 57.345 -0.839 0.000 1.288 32 W CB 0.100 28.575 29.460 -1.641 0.000 1.107 32 W HN 0.664 nan 8.180 nan 0.000 0.586 33 W N -0.931 120.566 121.300 0.329 0.000 2.599 33 W HA 0.225 4.886 4.660 0.002 0.000 0.396 33 W C 1.466 178.064 176.519 0.131 0.000 0.944 33 W CA -0.258 57.219 57.345 0.219 0.000 2.042 33 W CB -0.431 29.101 29.460 0.119 0.000 1.184 33 W HN -0.390 nan 8.180 nan 0.000 0.604 34 T N -0.376 114.384 114.554 0.343 0.000 2.759 34 T HA -0.279 4.073 4.350 0.002 0.000 0.269 34 T C 1.383 176.210 174.700 0.212 0.000 1.042 34 T CA 2.221 64.450 62.100 0.215 0.000 1.140 34 T CB -0.328 68.622 68.868 0.137 0.000 0.864 34 T HN 0.522 nan 8.240 nan 0.000 0.455 35 H N -0.283 118.862 119.070 0.126 0.000 2.548 35 H HA 0.366 4.923 4.556 0.002 0.000 0.268 35 H C 0.497 175.900 175.328 0.124 0.000 0.975 35 H CA -0.222 55.890 56.048 0.107 0.000 1.195 35 H CB -0.412 29.410 29.762 0.100 0.000 1.397 35 H HN 0.081 nan 8.280 nan 0.000 0.572 36 V N 2.832 122.505 119.914 -0.403 0.000 2.425 36 V HA -0.032 4.089 4.120 0.002 0.000 0.276 36 V C 0.386 176.432 176.094 -0.080 0.000 1.017 36 V CA 0.196 62.351 62.300 -0.241 0.000 1.062 36 V CB 0.334 32.060 31.823 -0.163 0.000 0.997 36 V HN 0.485 nan 8.190 nan 0.000 0.476 37 E N 3.214 123.380 120.200 -0.057 0.000 2.349 37 E HA 0.302 4.654 4.350 0.002 0.000 0.262 37 E C -0.042 176.541 176.600 -0.029 0.000 1.088 37 E CA -0.952 55.434 56.400 -0.024 0.000 0.899 37 E CB 0.988 30.681 29.700 -0.012 0.000 1.044 37 E HN 0.567 nan 8.360 nan 0.000 0.420 38 M N 2.004 121.594 119.600 -0.016 0.000 2.246 38 M HA 0.126 4.607 4.480 0.002 0.000 0.350 38 M C 0.130 176.417 176.300 -0.021 0.000 1.406 38 M CA 0.217 55.507 55.300 -0.018 0.000 1.089 38 M CB 0.377 32.972 32.600 -0.008 0.000 1.782 38 M HN 0.482 nan 8.290 nan 0.000 0.457 39 G N 5.990 114.773 108.800 -0.028 0.000 2.636 39 G HA2 0.467 4.428 3.960 0.002 0.000 0.246 39 G HA3 0.467 4.428 3.960 0.002 0.000 0.246 39 G C -2.370 172.517 174.900 -0.021 0.000 1.216 39 G CA -1.038 44.044 45.100 -0.029 0.000 0.854 39 G HN 0.686 nan 8.290 nan 0.000 0.572 40 P HA 0.273 nan 4.420 nan 0.000 0.274 40 P C -2.311 174.980 177.300 -0.015 0.000 1.237 40 P CA -1.012 62.079 63.100 -0.015 0.000 0.793 40 P CB -0.002 31.688 31.700 -0.016 0.000 0.977 41 P HA 0.076 nan 4.420 nan 0.000 0.269 41 P C -0.352 176.942 177.300 -0.009 0.000 1.209 41 P CA 0.157 63.253 63.100 -0.006 0.000 0.776 41 P CB 0.207 31.909 31.700 0.003 0.000 0.876 42 D N 3.539 123.934 120.400 -0.009 0.000 2.344 42 D HA 0.053 4.695 4.640 0.002 0.000 0.253 42 D C -1.254 175.046 176.300 0.001 0.000 1.255 42 D CA -2.144 51.850 54.000 -0.011 0.000 0.894 42 D CB 0.545 41.337 40.800 -0.012 0.000 1.067 42 D HN 0.124 nan 8.370 nan 0.000 0.492 43 P HA -0.140 nan 4.420 nan 0.000 0.218 43 P C 1.729 179.045 177.300 0.025 0.000 1.148 43 P CA 0.869 63.977 63.100 0.013 0.000 0.822 43 P CB 0.387 32.091 31.700 0.008 0.000 0.784 44 I N -1.188 119.393 120.570 0.019 0.000 2.315 44 I HA -0.189 3.982 4.170 0.002 0.000 0.248 44 I C 2.390 178.528 176.117 0.035 0.000 1.117 44 I CA 0.736 62.055 61.300 0.031 0.000 1.404 44 I CB -0.570 37.447 38.000 0.029 0.000 1.071 44 I HN -0.109 nan 8.210 nan 0.000 0.419 45 L N 1.070 122.308 121.223 0.026 0.000 2.131 45 L HA -0.074 4.267 4.340 0.002 0.000 0.210 45 L C 2.302 179.191 176.870 0.033 0.000 1.092 45 L CA 1.951 56.806 54.840 0.025 0.000 0.759 45 L CB -1.088 40.981 42.059 0.017 0.000 0.903 45 L HN 0.185 nan 8.230 nan 0.000 0.435 46 G N -1.485 107.337 108.800 0.037 0.000 2.408 46 G HA2 -0.170 3.792 3.960 0.002 0.000 0.217 46 G HA3 -0.170 3.792 3.960 0.002 0.000 0.217 46 G C 1.546 176.491 174.900 0.074 0.000 1.150 46 G CA 0.914 46.043 45.100 0.049 0.000 0.776 46 G HN 0.307 nan 8.290 nan 0.000 0.542 47 V N 0.776 120.744 119.914 0.090 0.000 2.295 47 V HA -0.186 3.936 4.120 0.002 0.000 0.246 47 V C 3.137 179.281 176.094 0.084 0.000 1.049 47 V CA 2.377 64.764 62.300 0.145 0.000 1.024 47 V CB -0.864 31.047 31.823 0.147 0.000 0.648 47 V HN 0.366 nan 8.190 nan 0.000 0.447 48 T N -0.639 113.941 114.554 0.044 0.000 2.708 48 T HA -0.215 4.137 4.350 0.002 0.000 0.266 48 T C 1.857 176.596 174.700 0.066 0.000 1.037 48 T CA 1.830 63.948 62.100 0.029 0.000 1.146 48 T CB -0.198 68.677 68.868 0.013 0.000 0.865 48 T HN 0.570 nan 8.240 nan 0.000 0.435 49 E N 0.463 120.685 120.200 0.037 0.000 2.106 49 E HA 0.013 4.364 4.350 0.002 0.000 0.192 49 E C 2.450 179.040 176.600 -0.017 0.000 0.984 49 E CA 0.798 57.210 56.400 0.019 0.000 0.806 49 E CB -0.138 29.573 29.700 0.019 0.000 0.750 49 E HN 0.448 nan 8.360 nan 0.000 0.458 50 A N 0.916 123.727 122.820 -0.015 0.000 1.873 50 A HA -0.191 4.131 4.320 0.002 0.000 0.215 50 A C 1.971 179.366 177.584 -0.315 0.000 1.186 50 A CA 1.093 53.108 52.037 -0.038 0.000 0.616 50 A CB -0.820 18.263 19.000 0.138 0.000 0.823 50 A HN 0.393 nan 8.150 nan 0.000 0.442 51 F N 1.086 120.541 119.950 -0.824 0.000 2.063 51 F HA -0.277 4.251 4.527 0.002 0.000 0.298 51 F C 2.210 177.773 175.800 -0.396 0.000 1.109 51 F CA 2.473 59.879 58.000 -0.991 0.000 1.212 51 F CB -0.171 38.377 39.000 -0.753 0.000 0.973 51 F HN 0.109 nan 8.300 nan 0.000 0.480 52 K N 0.084 120.359 120.400 -0.209 0.000 2.074 52 K HA -0.223 4.099 4.320 0.002 0.000 0.209 52 K C 2.186 178.631 176.600 -0.259 0.000 1.048 52 K CA 1.998 58.144 56.287 -0.235 0.000 0.926 52 K CB -0.361 32.113 32.500 -0.043 0.000 0.713 52 K HN 0.392 nan 8.250 nan 0.000 0.444 53 R N 0.906 121.295 120.500 -0.185 0.000 2.115 53 R HA -0.044 4.298 4.340 0.002 0.000 0.226 53 R C 0.771 176.989 176.300 -0.137 0.000 1.100 53 R CA 0.307 56.333 56.100 -0.123 0.000 0.980 53 R CB -0.228 30.035 30.300 -0.062 0.000 0.875 53 R HN 0.201 nan 8.270 nan 0.000 0.445 54 D N 1.212 121.498 120.400 -0.190 0.000 2.487 54 D HA -0.065 4.577 4.640 0.002 0.000 0.243 54 D C 0.527 176.738 176.300 -0.148 0.000 1.154 54 D CA 0.626 54.559 54.000 -0.112 0.000 0.876 54 D CB 1.134 41.910 40.800 -0.041 0.000 1.161 54 D HN 0.179 nan 8.370 nan 0.000 0.478 55 T N 0.638 115.146 114.554 -0.077 0.000 3.186 55 T HA 0.049 4.400 4.350 0.002 0.000 0.257 55 T C 0.617 175.284 174.700 -0.055 0.000 1.029 55 T CA -0.826 61.228 62.100 -0.076 0.000 0.916 55 T CB -0.151 68.687 68.868 -0.051 0.000 1.041 55 T HN 0.164 nan 8.240 nan 0.000 0.562 56 N N 2.385 121.062 118.700 -0.039 0.000 2.411 56 N HA 0.099 4.840 4.740 0.002 0.000 0.259 56 N C 1.425 176.909 175.510 -0.043 0.000 1.103 56 N CA 0.295 53.334 53.050 -0.018 0.000 0.954 56 N CB 1.527 40.033 38.487 0.033 0.000 1.085 56 N HN 0.361 nan 8.380 nan 0.000 0.485 57 S N 3.776 119.446 115.700 -0.050 0.000 2.440 57 S HA -0.112 4.359 4.470 0.002 0.000 0.238 57 S C 1.101 175.646 174.600 -0.091 0.000 1.010 57 S CA 0.917 59.079 58.200 -0.065 0.000 0.972 57 S CB -0.077 63.090 63.200 -0.055 0.000 0.774 57 S HN 0.565 nan 8.310 nan 0.000 0.501 58 K N 1.833 122.161 120.400 -0.122 0.000 2.444 58 K HA 0.099 4.420 4.320 0.002 0.000 0.193 58 K C 0.561 177.073 176.600 -0.146 0.000 1.024 58 K CA 0.070 56.189 56.287 -0.280 0.000 1.077 58 K CB -0.045 32.126 32.500 -0.548 0.000 0.833 58 K HN 0.768 nan 8.250 nan 0.000 0.517 59 K N 0.982 121.402 120.400 0.034 0.000 2.485 59 K HA 0.081 4.402 4.320 0.002 0.000 0.277 59 K C -0.309 176.516 176.600 0.374 0.000 0.990 59 K CA 0.510 56.934 56.287 0.229 0.000 0.994 59 K CB 0.497 33.061 32.500 0.108 0.000 0.906 59 K HN -0.142 nan 8.250 nan 0.000 0.488 60 M N 2.393 122.321 119.600 0.547 0.000 2.393 60 M HA 0.165 4.646 4.480 0.002 0.000 0.299 60 M C -0.997 175.490 176.300 0.312 0.000 1.103 60 M CA -0.886 54.658 55.300 0.408 0.000 0.910 60 M CB 2.301 35.057 32.600 0.260 0.000 1.659 60 M HN 0.689 nan 8.290 nan 0.000 0.445 61 N N 3.835 122.380 118.700 -0.259 0.000 2.609 61 N HA 0.356 5.097 4.740 0.002 0.000 0.234 61 N C -0.800 174.546 175.510 -0.273 0.000 1.001 61 N CA -0.193 52.447 53.050 -0.684 0.000 0.926 61 N CB 0.439 37.844 38.487 -1.803 0.000 1.130 61 N HN 0.722 nan 8.380 nan 0.000 0.510 62 L N 1.628 122.810 121.223 -0.069 0.000 2.783 62 L HA 0.402 4.743 4.340 0.002 0.000 0.236 62 L C 1.579 178.471 176.870 0.037 0.000 1.225 62 L CA -0.223 54.610 54.840 -0.012 0.000 1.026 62 L CB 0.367 42.444 42.059 0.030 0.000 1.314 62 L HN 0.464 nan 8.230 nan 0.000 0.489 63 G N -0.448 108.352 108.800 0.000 0.000 3.159 63 G HA2 0.071 4.032 3.960 0.002 0.000 0.232 63 G HA3 0.071 4.032 3.960 0.002 0.000 0.232 63 G C 0.459 175.393 174.900 0.057 0.000 1.116 63 G CA -0.046 45.088 45.100 0.057 0.000 0.767 63 G HN 0.087 nan 8.290 nan 0.000 0.547 64 V N 1.593 121.499 119.914 -0.014 0.000 2.617 64 V HA 0.407 4.528 4.120 0.002 0.000 0.304 64 V C 1.453 177.608 176.094 0.101 0.000 1.040 64 V CA 1.086 63.375 62.300 -0.018 0.000 1.149 64 V CB 1.325 33.080 31.823 -0.113 0.000 0.914 64 V HN 0.152 nan 8.190 nan 0.000 0.487 65 G N 4.786 113.653 108.800 0.112 0.000 3.434 65 G HA2 0.597 4.559 3.960 0.002 0.000 0.258 65 G HA3 0.597 4.559 3.960 0.002 0.000 0.258 65 G C 0.147 175.154 174.900 0.178 0.000 1.128 65 G CA 0.563 45.811 45.100 0.246 0.000 0.792 65 G HN 1.177 nan 8.290 nan 0.000 0.539 66 A N -0.628 122.201 122.820 0.015 0.000 2.527 66 A HA 0.644 4.966 4.320 0.002 0.000 0.293 66 A C -1.164 176.435 177.584 0.026 0.000 1.117 66 A CA -0.923 51.053 52.037 -0.101 0.000 0.723 66 A CB 1.048 19.667 19.000 -0.634 0.000 1.313 66 A HN 0.212 nan 8.150 nan 0.000 0.411 67 Y N 1.440 121.827 120.300 0.145 0.000 2.702 67 Y HA 0.334 4.885 4.550 0.002 0.000 0.336 67 Y C 0.434 176.415 175.900 0.135 0.000 1.235 67 Y CA 1.162 59.411 58.100 0.248 0.000 1.492 67 Y CB 0.425 39.184 38.460 0.498 0.000 1.308 67 Y HN 0.582 nan 8.280 nan 0.000 0.589 68 R N 4.224 124.309 120.500 -0.692 0.000 2.673 68 R HA 0.198 4.539 4.340 0.002 0.000 0.281 68 R C -1.004 174.964 176.300 -0.554 0.000 0.991 68 R CA -0.896 54.981 56.100 -0.371 0.000 0.896 68 R CB 1.463 31.622 30.300 -0.235 0.000 1.201 68 R HN 0.861 nan 8.270 nan 0.000 0.457 69 D N -0.339 119.967 120.400 -0.155 0.000 2.433 69 D HA -0.006 4.636 4.640 0.002 0.000 0.255 69 D C 0.473 176.697 176.300 -0.126 0.000 1.226 69 D CA -0.368 53.562 54.000 -0.117 0.000 1.015 69 D CB 0.616 41.363 40.800 -0.089 0.000 1.091 69 D HN 0.377 nan 8.370 nan 0.000 0.527 70 D N -1.225 119.119 120.400 -0.093 0.000 2.354 70 D HA -0.136 4.505 4.640 0.002 0.000 0.216 70 D C 0.126 176.395 176.300 -0.051 0.000 0.970 70 D CA 0.816 54.773 54.000 -0.072 0.000 0.905 70 D CB -0.066 40.700 40.800 -0.056 0.000 0.903 70 D HN 0.414 nan 8.370 nan 0.000 0.508 71 N N -0.851 117.823 118.700 -0.043 0.000 2.251 71 N HA 0.203 4.944 4.740 0.002 0.000 0.217 71 N C 0.718 176.219 175.510 -0.015 0.000 1.124 71 N CA 0.175 53.213 53.050 -0.021 0.000 0.843 71 N CB 1.155 39.636 38.487 -0.009 0.000 1.024 71 N HN -0.027 nan 8.380 nan 0.000 0.501 72 G N 1.438 110.214 108.800 -0.040 0.000 2.323 72 G HA2 -0.292 3.669 3.960 0.002 0.000 0.292 72 G HA3 -0.292 3.669 3.960 0.002 0.000 0.292 72 G C -0.372 174.520 174.900 -0.014 0.000 1.040 72 G CA 0.259 45.335 45.100 -0.041 0.000 0.942 72 G HN 0.169 nan 8.290 nan 0.000 0.506 73 K N 0.112 120.510 120.400 -0.003 0.000 2.259 73 K HA 0.476 4.797 4.320 0.002 0.000 0.252 73 K C -2.555 174.097 176.600 0.086 0.000 0.936 73 K CA -2.107 54.204 56.287 0.040 0.000 0.810 73 K CB 2.464 34.994 32.500 0.050 0.000 1.143 73 K HN -0.010 nan 8.250 nan 0.000 0.427 74 P HA -0.027 nan 4.420 nan 0.000 0.268 74 P C -0.967 176.506 177.300 0.288 0.000 1.205 74 P CA 0.025 63.223 63.100 0.164 0.000 0.771 74 P CB 0.185 31.950 31.700 0.109 0.000 0.858 75 Y N 3.700 124.131 120.300 0.219 0.000 2.555 75 Y HA 0.295 4.846 4.550 0.002 0.000 0.326 75 Y C -0.783 175.236 175.900 0.199 0.000 0.984 75 Y CA -1.577 56.653 58.100 0.215 0.000 1.298 75 Y CB 0.473 39.114 38.460 0.301 0.000 1.094 75 Y HN 0.021 nan 8.280 nan 0.000 0.500 76 V N 7.536 127.505 119.914 0.093 0.000 2.450 76 V HA -0.018 4.103 4.120 0.002 0.000 0.281 76 V C 0.310 176.168 176.094 -0.394 0.000 1.019 76 V CA -0.317 61.931 62.300 -0.088 0.000 1.062 76 V CB -0.330 31.495 31.823 0.004 0.000 0.979 76 V HN 0.537 nan 8.190 nan 0.000 0.477 77 L N 9.684 130.598 121.223 -0.513 0.000 2.578 77 L HA 0.081 4.422 4.340 0.002 0.000 0.279 77 L C -0.929 175.839 176.870 -0.171 0.000 1.227 77 L CA -0.294 54.264 54.840 -0.469 0.000 0.900 77 L CB -0.016 41.914 42.059 -0.215 0.000 1.144 77 L HN 0.442 nan 8.230 nan 0.000 0.496 78 P HA -0.105 nan 4.420 nan 0.000 0.220 78 P C 1.543 178.849 177.300 0.009 0.000 1.152 78 P CA 1.120 64.219 63.100 -0.002 0.000 0.812 78 P CB 0.092 31.820 31.700 0.046 0.000 0.792 79 S N 0.054 115.772 115.700 0.029 0.000 2.372 79 S HA -0.186 4.286 4.470 0.002 0.000 0.227 79 S C 2.030 176.635 174.600 0.008 0.000 1.044 79 S CA 1.926 60.154 58.200 0.047 0.000 1.050 79 S CB -1.902 61.371 63.200 0.123 0.000 0.901 79 S HN -0.023 nan 8.310 nan 0.000 0.447 80 V N 2.621 122.529 119.914 -0.011 0.000 2.282 80 V HA -0.192 3.929 4.120 0.002 0.000 0.249 80 V C 3.105 179.175 176.094 -0.039 0.000 1.057 80 V CA 2.184 64.455 62.300 -0.048 0.000 1.032 80 V CB -0.819 30.967 31.823 -0.062 0.000 0.645 80 V HN 0.479 nan 8.190 nan 0.000 0.447 81 R N -0.202 120.283 120.500 -0.025 0.000 2.115 81 R HA -0.114 4.228 4.340 0.002 0.000 0.230 81 R C 2.246 178.540 176.300 -0.010 0.000 1.111 81 R CA 1.205 57.297 56.100 -0.014 0.000 0.976 81 R CB -0.460 29.840 30.300 -0.001 0.000 0.870 81 R HN 0.528 nan 8.270 nan 0.000 0.445 82 K N 0.550 120.946 120.400 -0.006 0.000 1.967 82 K HA -0.064 4.257 4.320 0.002 0.000 0.212 82 K C 2.077 178.668 176.600 -0.014 0.000 1.044 82 K CA 1.264 57.549 56.287 -0.003 0.000 0.942 82 K CB -0.204 32.300 32.500 0.006 0.000 0.726 82 K HN 0.056 nan 8.250 nan 0.000 0.440 83 A N 1.781 124.587 122.820 -0.024 0.000 1.944 83 A HA -0.317 4.004 4.320 0.002 0.000 0.222 83 A C 1.902 179.460 177.584 -0.044 0.000 1.237 83 A CA 2.356 54.368 52.037 -0.042 0.000 0.668 83 A CB -0.895 18.065 19.000 -0.065 0.000 0.830 83 A HN 0.559 nan 8.150 nan 0.000 0.471 84 E N -0.954 119.221 120.200 -0.041 0.000 2.265 84 E HA -0.084 4.267 4.350 0.002 0.000 0.196 84 E C 2.265 178.848 176.600 -0.027 0.000 0.996 84 E CA 0.734 57.112 56.400 -0.038 0.000 0.832 84 E CB -0.224 29.456 29.700 -0.033 0.000 0.756 84 E HN 0.693 nan 8.360 nan 0.000 0.491 85 A N 1.420 124.228 122.820 -0.020 0.000 1.843 85 A HA -0.201 4.120 4.320 0.002 0.000 0.213 85 A C 2.045 179.620 177.584 -0.015 0.000 1.202 85 A CA 0.931 52.960 52.037 -0.014 0.000 0.607 85 A CB -0.389 18.607 19.000 -0.007 0.000 0.847 85 A HN 0.148 nan 8.150 nan 0.000 0.445 86 Q N -0.235 119.555 119.800 -0.017 0.000 1.900 86 Q HA -0.250 4.091 4.340 0.002 0.000 0.219 86 Q C 1.976 177.963 176.000 -0.022 0.000 1.012 86 Q CA 1.849 57.641 55.803 -0.018 0.000 0.876 86 Q CB -0.686 28.040 28.738 -0.020 0.000 0.952 86 Q HN 0.568 nan 8.270 nan 0.000 0.419 87 I N 1.249 121.801 120.570 -0.030 0.000 2.210 87 I HA -0.388 3.783 4.170 0.002 0.000 0.249 87 I C 2.353 178.453 176.117 -0.027 0.000 1.047 87 I CA 1.742 63.022 61.300 -0.033 0.000 1.323 87 I CB -0.392 37.582 38.000 -0.044 0.000 1.017 87 I HN 0.372 nan 8.210 nan 0.000 0.427 88 A N -0.416 122.390 122.820 -0.024 0.000 2.119 88 A HA 0.276 4.597 4.320 0.002 0.000 0.216 88 A C 2.126 179.700 177.584 -0.016 0.000 1.152 88 A CA 1.146 53.171 52.037 -0.020 0.000 0.708 88 A CB -0.432 18.557 19.000 -0.018 0.000 0.805 88 A HN 0.421 nan 8.150 nan 0.000 0.460 89 A N -0.893 121.918 122.820 -0.015 0.000 2.423 89 A HA 0.287 4.608 4.320 0.002 0.000 0.246 89 A C 1.372 178.949 177.584 -0.013 0.000 1.278 89 A CA -0.008 52.022 52.037 -0.012 0.000 0.903 89 A CB 0.003 18.997 19.000 -0.010 0.000 0.997 89 A HN 0.310 nan 8.150 nan 0.000 0.510 90 K N -0.213 120.178 120.400 -0.015 0.000 2.374 90 K HA 0.125 4.446 4.320 0.002 0.000 0.202 90 K C 0.128 176.719 176.600 -0.016 0.000 1.040 90 K CA -0.139 56.139 56.287 -0.015 0.000 1.085 90 K CB 0.135 32.625 32.500 -0.017 0.000 0.873 90 K HN 0.530 nan 8.250 nan 0.000 0.539 91 N N 1.989 120.680 118.700 -0.016 0.000 2.716 91 N HA -0.179 4.562 4.740 0.002 0.000 0.250 91 N C -0.627 174.871 175.510 -0.019 0.000 1.033 91 N CA 0.067 53.107 53.050 -0.017 0.000 0.727 91 N CB -0.898 37.580 38.487 -0.014 0.000 0.950 91 N HN 0.213 nan 8.380 nan 0.000 0.541 92 L N 0.645 121.855 121.223 -0.022 0.000 2.467 92 L HA 0.055 4.396 4.340 0.002 0.000 0.270 92 L C 1.244 178.098 176.870 -0.027 0.000 1.205 92 L CA -0.161 54.665 54.840 -0.024 0.000 0.828 92 L CB 0.223 42.267 42.059 -0.026 0.000 1.101 92 L HN 0.302 nan 8.230 nan 0.000 0.479 93 D N 0.806 121.190 120.400 -0.028 0.000 2.414 93 D HA 0.117 4.758 4.640 0.002 0.000 0.259 93 D C -0.295 175.980 176.300 -0.041 0.000 1.269 93 D CA -0.288 53.692 54.000 -0.034 0.000 1.028 93 D CB 0.616 41.395 40.800 -0.035 0.000 1.093 93 D HN 0.369 nan 8.370 nan 0.000 0.545 94 K N -0.789 119.578 120.400 -0.055 0.000 2.792 94 K HA 0.143 4.464 4.320 0.002 0.000 0.207 94 K C -0.508 176.029 176.600 -0.106 0.000 1.103 94 K CA -0.486 55.760 56.287 -0.068 0.000 1.048 94 K CB 0.654 33.113 32.500 -0.068 0.000 0.777 94 K HN 0.344 nan 8.250 nan 0.000 0.468 95 E N 0.453 120.597 120.200 -0.092 0.000 2.374 95 E HA 0.066 4.417 4.350 0.002 0.000 0.260 95 E C -0.088 176.478 176.600 -0.056 0.000 1.101 95 E CA -0.255 56.069 56.400 -0.127 0.000 0.907 95 E CB 0.399 30.061 29.700 -0.063 0.000 1.014 95 E HN 0.016 nan 8.360 nan 0.000 0.427 96 Y N 0.474 120.776 120.300 0.004 0.000 2.805 96 Y HA -0.101 4.450 4.550 0.002 0.000 0.337 96 Y C 1.057 176.963 175.900 0.010 0.000 1.252 96 Y CA 0.480 58.586 58.100 0.010 0.000 1.515 96 Y CB -0.111 38.356 38.460 0.012 0.000 1.305 96 Y HN 0.266 nan 8.280 nan 0.000 0.600 97 L N 5.059 126.399 121.223 0.195 0.000 2.454 97 L HA 0.358 4.700 4.340 0.002 0.000 0.256 97 L C -1.876 175.051 176.870 0.095 0.000 1.136 97 L CA -2.054 52.853 54.840 0.113 0.000 0.804 97 L CB 0.314 42.425 42.059 0.088 0.000 1.181 97 L HN 0.462 nan 8.230 nan 0.000 0.469 98 P HA 0.060 nan 4.420 nan 0.000 0.269 98 P C 0.885 178.203 177.300 0.031 0.000 1.217 98 P CA -0.108 63.014 63.100 0.036 0.000 0.783 98 P CB 0.445 32.165 31.700 0.032 0.000 0.898 99 I N 0.565 121.133 120.570 -0.003 0.000 2.185 99 I HA -0.242 3.929 4.170 0.002 0.000 0.246 99 I C 2.097 178.231 176.117 0.029 0.000 1.088 99 I CA 2.169 63.458 61.300 -0.018 0.000 1.347 99 I CB -1.339 36.629 38.000 -0.053 0.000 1.041 99 I HN 0.488 nan 8.210 nan 0.000 0.415 100 G N 0.364 109.187 108.800 0.038 0.000 2.848 100 G HA2 0.351 4.313 3.960 0.002 0.000 0.208 100 G HA3 0.351 4.313 3.960 0.002 0.000 0.208 100 G C 0.894 175.859 174.900 0.108 0.000 1.152 100 G CA 0.480 45.621 45.100 0.069 0.000 0.789 100 G HN 0.726 nan 8.290 nan 0.000 0.531 101 G N -0.652 108.213 108.800 0.109 0.000 2.782 101 G HA2 -0.069 3.893 3.960 0.002 0.000 0.228 101 G HA3 -0.069 3.893 3.960 0.002 0.000 0.228 101 G C -0.225 174.742 174.900 0.110 0.000 1.372 101 G CA -0.346 44.828 45.100 0.123 0.000 0.862 101 G HN 0.900 nan 8.290 nan 0.000 0.547 102 L N 1.142 122.435 121.223 0.117 0.000 2.562 102 L HA 0.519 4.860 4.340 0.002 0.000 0.271 102 L C 2.052 178.994 176.870 0.120 0.000 1.167 102 L CA 1.523 56.425 54.840 0.102 0.000 0.917 102 L CB 0.440 42.549 42.059 0.083 0.000 1.187 102 L HN 1.635 nan 8.230 nan 0.000 0.482 103 A N 3.820 126.680 122.820 0.067 0.000 1.978 103 A HA -0.192 4.130 4.320 0.002 0.000 0.220 103 A C 2.078 179.684 177.584 0.036 0.000 1.170 103 A CA 1.764 53.828 52.037 0.044 0.000 0.636 103 A CB -0.475 18.536 19.000 0.019 0.000 0.810 103 A HN 0.922 nan 8.150 nan 0.000 0.448 104 E N -1.383 118.843 120.200 0.044 0.000 2.072 104 E HA -0.165 4.186 4.350 0.002 0.000 0.191 104 E C 1.713 178.328 176.600 0.025 0.000 0.985 104 E CA 1.141 57.556 56.400 0.026 0.000 0.801 104 E CB -0.234 29.481 29.700 0.024 0.000 0.750 104 E HN 0.622 nan 8.360 nan 0.000 0.452 105 F N 1.192 121.099 119.950 -0.071 0.000 2.069 105 F HA -0.280 4.248 4.527 0.002 0.000 0.298 105 F C 2.193 177.952 175.800 -0.069 0.000 1.113 105 F CA 1.529 59.461 58.000 -0.113 0.000 1.214 105 F CB -0.821 38.096 39.000 -0.138 0.000 0.978 105 F HN 0.136 nan 8.300 nan 0.000 0.474 106 C N 1.171 120.309 119.300 -0.270 0.000 2.376 106 C HA -0.247 4.214 4.460 0.002 0.000 0.275 106 C C 2.833 177.688 174.990 -0.225 0.000 1.200 106 C CA 1.687 60.527 59.018 -0.297 0.000 1.756 106 C CB -1.367 26.353 27.740 -0.034 0.000 2.050 106 C HN 0.534 nan 8.230 nan 0.000 0.460 107 K N 0.744 121.083 120.400 -0.100 0.000 2.057 107 K HA -0.098 4.224 4.320 0.002 0.000 0.206 107 K C 2.193 178.722 176.600 -0.120 0.000 1.050 107 K CA 1.416 57.688 56.287 -0.024 0.000 0.935 107 K CB -0.282 32.229 32.500 0.020 0.000 0.715 107 K HN 0.446 nan 8.250 nan 0.000 0.439 108 A N 0.404 123.122 122.820 -0.170 0.000 1.902 108 A HA -0.163 4.159 4.320 0.002 0.000 0.217 108 A C 2.135 179.592 177.584 -0.211 0.000 1.181 108 A CA 2.098 54.037 52.037 -0.164 0.000 0.623 108 A CB -0.770 18.142 19.000 -0.147 0.000 0.818 108 A HN 0.393 nan 8.150 nan 0.000 0.443 109 S N -0.611 114.857 115.700 -0.387 0.000 2.382 109 S HA -0.017 4.455 4.470 0.002 0.000 0.228 109 S C 2.020 176.485 174.600 -0.226 0.000 1.027 109 S CA 1.544 59.542 58.200 -0.338 0.000 0.991 109 S CB -0.355 62.416 63.200 -0.715 0.000 0.823 109 S HN 0.789 nan 8.310 nan 0.000 0.469 110 A N 0.230 122.883 122.820 -0.277 0.000 2.021 110 A HA 0.187 4.509 4.320 0.002 0.000 0.216 110 A C 1.864 179.246 177.584 -0.337 0.000 1.163 110 A CA 0.980 52.797 52.037 -0.365 0.000 0.676 110 A CB -0.463 18.183 19.000 -0.591 0.000 0.818 110 A HN 0.583 nan 8.150 nan 0.000 0.453 111 E N -0.401 119.652 120.200 -0.244 0.000 2.023 111 E HA -0.206 4.145 4.350 0.002 0.000 0.196 111 E C 1.883 178.407 176.600 -0.127 0.000 1.003 111 E CA 1.354 57.651 56.400 -0.172 0.000 0.809 111 E CB -0.266 29.370 29.700 -0.107 0.000 0.755 111 E HN 0.432 nan 8.360 nan 0.000 0.449 112 L N 0.893 122.068 121.223 -0.080 0.000 1.991 112 L HA -0.291 4.051 4.340 0.002 0.000 0.221 112 L C 2.102 178.930 176.870 -0.071 0.000 1.079 112 L CA 2.600 57.429 54.840 -0.018 0.000 0.778 112 L CB -1.096 40.996 42.059 0.056 0.000 0.893 112 L HN 0.166 nan 8.230 nan 0.000 0.437 113 A N -1.478 121.261 122.820 -0.136 0.000 1.929 113 A HA -0.051 4.270 4.320 0.002 0.000 0.216 113 A C 2.233 179.691 177.584 -0.210 0.000 1.176 113 A CA 1.691 53.619 52.037 -0.181 0.000 0.628 113 A CB -0.511 18.354 19.000 -0.225 0.000 0.816 113 A HN 0.512 nan 8.150 nan 0.000 0.444 114 L N -1.718 119.367 121.223 -0.229 0.000 2.408 114 L HA 0.288 4.629 4.340 0.002 0.000 0.215 114 L C 1.044 177.805 176.870 -0.181 0.000 1.081 114 L CA 0.579 55.274 54.840 -0.241 0.000 0.840 114 L CB -0.319 41.556 42.059 -0.307 0.000 1.002 114 L HN 0.588 nan 8.230 nan 0.000 0.468 115 G N 0.982 109.696 108.800 -0.143 0.000 3.322 115 G HA2 -0.195 3.766 3.960 0.002 0.000 0.686 115 G HA3 -0.195 3.766 3.960 0.002 0.000 0.686 115 G C 0.278 175.115 174.900 -0.105 0.000 1.015 115 G CA -0.044 44.995 45.100 -0.101 0.000 0.826 115 G HN 0.275 nan 8.290 nan 0.000 0.538 116 E N 1.035 121.189 120.200 -0.077 0.000 2.164 116 E HA -0.248 4.103 4.350 0.002 0.000 0.206 116 E C 1.658 178.222 176.600 -0.060 0.000 1.032 116 E CA 1.797 58.158 56.400 -0.066 0.000 0.832 116 E CB 0.025 29.702 29.700 -0.039 0.000 0.742 116 E HN 0.480 nan 8.360 nan 0.000 0.460 117 N N 0.931 119.599 118.700 -0.053 0.000 2.327 117 N HA -0.012 4.729 4.740 0.002 0.000 0.231 117 N C -0.497 174.980 175.510 -0.055 0.000 1.130 117 N CA -0.000 53.024 53.050 -0.044 0.000 0.845 117 N CB 0.009 38.479 38.487 -0.030 0.000 1.073 117 N HN 0.116 nan 8.380 nan 0.000 0.496 118 N N 1.607 120.259 118.700 -0.080 0.000 2.470 118 N HA -0.042 4.700 4.740 0.002 0.000 0.268 118 N C 1.025 176.489 175.510 -0.077 0.000 1.136 118 N CA 0.046 53.039 53.050 -0.095 0.000 0.961 118 N CB 1.223 39.625 38.487 -0.142 0.000 1.067 118 N HN 0.206 nan 8.380 nan 0.000 0.468 119 E N 2.681 122.842 120.200 -0.064 0.000 2.284 119 E HA -0.194 4.157 4.350 0.002 0.000 0.200 119 E C 1.428 178.008 176.600 -0.032 0.000 1.008 119 E CA 1.234 57.608 56.400 -0.043 0.000 0.829 119 E CB -0.204 29.471 29.700 -0.041 0.000 0.744 119 E HN 0.357 nan 8.360 nan 0.000 0.491 120 V N 0.941 120.820 119.914 -0.058 0.000 2.270 120 V HA -0.216 3.905 4.120 0.002 0.000 0.245 120 V C 2.324 178.440 176.094 0.036 0.000 1.043 120 V CA 1.872 64.154 62.300 -0.030 0.000 1.014 120 V CB -0.450 31.316 31.823 -0.095 0.000 0.645 120 V HN 0.320 nan 8.190 nan 0.000 0.447 121 L N -0.712 120.475 121.223 -0.061 0.000 2.141 121 L HA -0.152 4.189 4.340 0.002 0.000 0.209 121 L C 2.477 179.402 176.870 0.091 0.000 1.094 121 L CA 1.540 56.392 54.840 0.020 0.000 0.763 121 L CB -0.676 41.305 42.059 -0.129 0.000 0.908 121 L HN 0.254 nan 8.230 nan 0.000 0.437 122 K N 0.098 120.514 120.400 0.026 0.000 2.062 122 K HA -0.100 4.221 4.320 0.002 0.000 0.205 122 K C 2.344 178.964 176.600 0.033 0.000 1.051 122 K CA 1.534 57.834 56.287 0.023 0.000 0.941 122 K CB -0.124 32.375 32.500 -0.001 0.000 0.719 122 K HN 0.276 nan 8.250 nan 0.000 0.440 123 S N -0.375 115.345 115.700 0.034 0.000 2.561 123 S HA 0.006 4.478 4.470 0.002 0.000 0.225 123 S C 1.416 176.043 174.600 0.044 0.000 0.977 123 S CA 0.846 59.064 58.200 0.030 0.000 0.926 123 S CB -0.067 63.144 63.200 0.019 0.000 0.769 123 S HN 0.471 nan 8.310 nan 0.000 0.533 124 G N 2.462 111.323 108.800 0.101 0.000 2.162 124 G HA2 -0.348 3.613 3.960 0.002 0.000 0.260 124 G HA3 -0.348 3.613 3.960 0.002 0.000 0.260 124 G C 0.425 175.323 174.900 -0.004 0.000 0.976 124 G CA 0.264 45.399 45.100 0.058 0.000 0.655 124 G HN 0.892 nan 8.290 nan 0.000 0.533 125 R N -0.391 120.165 120.500 0.093 0.000 4.902 125 R HA 0.508 4.850 4.340 0.002 0.000 0.201 125 R C 0.213 176.597 176.300 0.139 0.000 2.020 125 R CA 0.272 56.409 56.100 0.061 0.000 1.674 125 R CB -0.884 29.445 30.300 0.048 0.000 1.349 125 R HN 0.944 nan 8.270 nan 0.000 0.813 126 F N -2.344 117.560 119.950 -0.076 0.000 2.713 126 F HA 0.649 5.177 4.527 0.002 0.000 0.311 126 F C -1.904 173.831 175.800 -0.108 0.000 1.141 126 F CA -1.523 56.415 58.000 -0.104 0.000 0.939 126 F CB 1.347 40.273 39.000 -0.124 0.000 1.325 126 F HN -0.174 nan 8.300 nan 0.000 0.453 127 V N 0.835 120.704 119.914 -0.075 0.000 2.925 127 V HA 0.876 4.997 4.120 0.002 0.000 0.311 127 V C -1.431 174.673 176.094 0.017 0.000 1.104 127 V CA -0.114 62.065 62.300 -0.202 0.000 0.954 127 V CB 2.355 34.066 31.823 -0.187 0.000 1.022 127 V HN 1.109 nan 8.190 nan 0.000 0.427 128 T N 5.200 119.777 114.554 0.038 0.000 2.971 128 T HA 0.665 5.017 4.350 0.002 0.000 0.304 128 T C -0.932 173.800 174.700 0.054 0.000 1.038 128 T CA -0.339 61.798 62.100 0.062 0.000 1.007 128 T CB 1.491 70.443 68.868 0.139 0.000 1.055 128 T HN 1.288 nan 8.240 nan 0.000 0.451 129 V N 1.319 121.294 119.914 0.101 0.000 2.789 129 V HA 0.686 4.808 4.120 0.002 0.000 0.311 129 V C -0.295 175.931 176.094 0.220 0.000 1.073 129 V CA -1.197 61.190 62.300 0.144 0.000 0.921 129 V CB 1.847 33.762 31.823 0.153 0.000 1.009 129 V HN 0.941 nan 8.190 nan 0.000 0.426 130 Q N 2.456 122.412 119.800 0.260 0.000 2.373 130 Q HA 0.633 4.974 4.340 0.002 0.000 0.255 130 Q C -0.118 176.038 176.000 0.260 0.000 0.980 130 Q CA 0.340 56.349 55.803 0.344 0.000 0.882 130 Q CB 1.353 30.297 28.738 0.344 0.000 1.249 130 Q HN 1.168 nan 8.270 nan 0.000 0.438 131 T N -0.157 114.526 114.554 0.215 0.000 2.812 131 T HA 0.443 4.794 4.350 0.002 0.000 0.294 131 T C -0.026 174.675 174.700 0.002 0.000 1.159 131 T CA -0.963 61.224 62.100 0.145 0.000 1.008 131 T CB 0.682 69.657 68.868 0.178 0.000 1.289 131 T HN 0.509 nan 8.240 nan 0.000 0.514 132 I N 2.343 122.830 120.570 -0.137 0.000 2.352 132 I HA 0.288 4.460 4.170 0.002 0.000 0.303 132 I C 1.143 177.224 176.117 -0.060 0.000 1.194 132 I CA 0.525 61.716 61.300 -0.182 0.000 1.518 132 I CB -1.583 36.237 38.000 -0.299 0.000 1.489 132 I HN 0.978 nan 8.210 nan 0.000 0.702 133 S N 3.843 119.532 115.700 -0.018 0.000 3.381 133 S HA -0.189 4.283 4.470 0.002 0.000 0.636 133 S C 1.505 176.134 174.600 0.047 0.000 2.614 133 S CA 0.911 59.123 58.200 0.019 0.000 2.810 133 S CB -0.755 62.444 63.200 -0.001 0.000 0.331 133 S HN 0.845 nan 8.310 nan 0.000 1.788 134 G N -0.310 108.500 108.800 0.016 0.000 2.421 134 G HA2 -0.020 3.941 3.960 0.002 0.000 0.217 134 G HA3 -0.020 3.941 3.960 0.002 0.000 0.217 134 G C 1.334 176.289 174.900 0.092 0.000 1.143 134 G CA 1.522 46.634 45.100 0.020 0.000 0.784 134 G HN 0.782 nan 8.290 nan 0.000 0.541 135 T N 1.236 115.868 114.554 0.130 0.000 2.607 135 T HA -0.121 4.231 4.350 0.002 0.000 0.267 135 T C 2.523 177.298 174.700 0.125 0.000 1.049 135 T CA 1.646 63.882 62.100 0.226 0.000 1.162 135 T CB -0.782 68.225 68.868 0.233 0.000 0.863 135 T HN 0.339 nan 8.240 nan 0.000 0.424 136 G N 1.057 109.896 108.800 0.066 0.000 2.469 136 G HA2 -0.102 3.859 3.960 0.002 0.000 0.219 136 G HA3 -0.102 3.859 3.960 0.002 0.000 0.219 136 G C 1.810 176.747 174.900 0.062 0.000 1.150 136 G CA 1.037 46.158 45.100 0.036 0.000 0.763 136 G HN 0.618 nan 8.290 nan 0.000 0.561 137 A N 0.281 123.161 122.820 0.101 0.000 1.930 137 A HA 0.180 4.502 4.320 0.002 0.000 0.217 137 A C 2.427 180.047 177.584 0.060 0.000 1.175 137 A CA 1.154 53.268 52.037 0.129 0.000 0.627 137 A CB -0.306 18.842 19.000 0.247 0.000 0.815 137 A HN 0.355 nan 8.150 nan 0.000 0.443 138 L N -1.177 120.127 121.223 0.135 0.000 2.056 138 L HA -0.155 4.186 4.340 0.002 0.000 0.207 138 L C 2.729 179.538 176.870 -0.102 0.000 1.078 138 L CA 1.685 56.608 54.840 0.138 0.000 0.749 138 L CB -0.370 41.819 42.059 0.218 0.000 0.901 138 L HN 0.339 nan 8.230 nan 0.000 0.433 139 R N 0.011 120.462 120.500 -0.082 0.000 2.066 139 R HA -0.111 4.231 4.340 0.002 0.000 0.232 139 R C 2.094 178.319 176.300 -0.125 0.000 1.131 139 R CA 1.579 57.601 56.100 -0.131 0.000 0.955 139 R CB -0.862 29.404 30.300 -0.056 0.000 0.851 139 R HN 0.090 nan 8.270 nan 0.000 0.432 140 V N 0.125 119.971 119.914 -0.112 0.000 2.332 140 V HA -0.193 3.928 4.120 0.002 0.000 0.248 140 V C 2.242 178.141 176.094 -0.326 0.000 1.055 140 V CA 2.206 64.410 62.300 -0.160 0.000 1.038 140 V CB -1.110 30.639 31.823 -0.124 0.000 0.651 140 V HN 0.661 nan 8.190 nan 0.000 0.450 141 G N -0.818 107.581 108.800 -0.667 0.000 2.408 141 G HA2 -0.150 3.812 3.960 0.002 0.000 0.217 141 G HA3 -0.150 3.812 3.960 0.002 0.000 0.217 141 G C 1.764 176.745 174.900 0.134 0.000 1.150 141 G CA 0.946 45.726 45.100 -0.532 0.000 0.776 141 G HN 0.611 nan 8.290 nan 0.000 0.542 142 A N 1.406 124.195 122.820 -0.053 0.000 1.902 142 A HA -0.062 4.259 4.320 0.002 0.000 0.217 142 A C 2.761 180.359 177.584 0.023 0.000 1.181 142 A CA 2.701 54.653 52.037 -0.142 0.000 0.623 142 A CB -0.778 17.854 19.000 -0.613 0.000 0.818 142 A HN 0.749 nan 8.150 nan 0.000 0.443 143 S N -1.552 114.153 115.700 0.008 0.000 2.406 143 S HA -0.110 4.361 4.470 0.002 0.000 0.228 143 S C 1.826 176.508 174.600 0.136 0.000 1.020 143 S CA 1.239 59.465 58.200 0.043 0.000 0.965 143 S CB -0.671 62.548 63.200 0.032 0.000 0.798 143 S HN 0.481 nan 8.310 nan 0.000 0.488 144 F N 2.449 122.454 119.950 0.091 0.000 2.134 144 F HA 0.145 4.673 4.527 0.002 0.000 0.299 144 F C 1.853 177.833 175.800 0.301 0.000 1.097 144 F CA 1.077 59.226 58.000 0.249 0.000 1.264 144 F CB -0.358 38.789 39.000 0.244 0.000 1.001 144 F HN 0.147 nan 8.300 nan 0.000 0.479 145 L N -0.243 121.121 121.223 0.235 0.000 2.056 145 L HA -0.211 4.130 4.340 0.002 0.000 0.207 145 L C 2.653 179.582 176.870 0.098 0.000 1.078 145 L CA 1.310 56.258 54.840 0.181 0.000 0.749 145 L CB -1.032 41.153 42.059 0.209 0.000 0.901 145 L HN 0.182 nan 8.230 nan 0.000 0.433 146 Q N 0.927 120.761 119.800 0.057 0.000 2.096 146 Q HA -0.290 4.052 4.340 0.002 0.000 0.208 146 Q C 2.317 178.241 176.000 -0.127 0.000 0.993 146 Q CA 2.173 57.972 55.803 -0.007 0.000 0.862 146 Q CB -0.093 28.635 28.738 -0.015 0.000 0.915 146 Q HN 0.459 nan 8.270 nan 0.000 0.416 147 R N -1.717 118.635 120.500 -0.247 0.000 2.189 147 R HA 0.004 4.346 4.340 0.002 0.000 0.203 147 R C 1.403 177.174 176.300 -0.881 0.000 1.012 147 R CA 0.630 56.403 56.100 -0.546 0.000 1.015 147 R CB 0.149 30.060 30.300 -0.647 0.000 0.938 147 R HN 0.173 nan 8.270 nan 0.000 0.472 148 F N -1.233 118.524 119.950 -0.322 0.000 2.724 148 F HA 0.238 4.766 4.527 0.002 0.000 0.306 148 F C 0.191 175.893 175.800 -0.164 0.000 1.100 148 F CA -0.553 57.248 58.000 -0.331 0.000 1.255 148 F CB 0.372 38.996 39.000 -0.626 0.000 1.072 148 F HN -0.137 nan 8.300 nan 0.000 0.589 149 F N 4.015 123.909 119.950 -0.094 0.000 2.567 149 F HA 0.194 4.722 4.527 0.001 0.000 0.352 149 F C 1.715 177.478 175.800 -0.062 0.000 1.229 149 F CA -0.991 57.011 58.000 0.003 0.000 1.228 149 F CB -0.067 38.937 39.000 0.007 0.000 1.568 149 F HN -0.053 nan 8.300 nan 0.000 0.634 150 K N 2.301 122.372 120.400 -0.548 0.000 2.504 150 K HA -0.129 4.192 4.320 0.002 0.000 0.195 150 K C 0.769 176.936 176.600 -0.723 0.000 1.036 150 K CA 1.222 57.149 56.287 -0.600 0.000 0.984 150 K CB -0.475 31.652 32.500 -0.622 0.000 0.788 150 K HN 0.470 nan 8.250 nan 0.000 0.488 151 F N 1.016 120.575 119.950 -0.652 0.000 2.615 151 F HA 0.138 4.667 4.527 0.002 0.000 0.297 151 F C 1.185 176.903 175.800 -0.137 0.000 1.124 151 F CA -0.056 57.661 58.000 -0.471 0.000 1.451 151 F CB 0.354 38.964 39.000 -0.651 0.000 1.103 151 F HN 0.028 nan 8.300 nan 0.000 0.569 152 S N -1.033 114.773 115.700 0.177 0.000 2.587 152 S HA 0.457 4.928 4.470 0.002 0.000 0.269 152 S C 0.078 174.849 174.600 0.285 0.000 1.154 152 S CA -0.824 57.565 58.200 0.315 0.000 0.824 152 S CB 1.192 64.704 63.200 0.521 0.000 1.118 152 S HN 0.001 nan 8.310 nan 0.000 0.462 153 R N 0.870 121.484 120.500 0.190 0.000 2.446 153 R HA 0.289 4.630 4.340 0.002 0.000 0.254 153 R C -0.805 175.555 176.300 0.101 0.000 0.918 153 R CA -0.055 56.125 56.100 0.133 0.000 1.069 153 R CB 0.056 30.398 30.300 0.071 0.000 1.194 153 R HN 0.592 nan 8.270 nan 0.000 0.534 154 D N 1.595 122.072 120.400 0.129 0.000 2.249 154 D HA 0.208 4.850 4.640 0.002 0.000 0.246 154 D C -0.498 175.828 176.300 0.043 0.000 1.114 154 D CA -0.135 53.888 54.000 0.038 0.000 0.854 154 D CB 2.888 43.742 40.800 0.090 0.000 1.132 154 D HN -0.284 nan 8.370 nan 0.000 0.461 155 V N 3.684 123.509 119.914 -0.148 0.000 2.384 155 V HA 0.239 4.361 4.120 0.002 0.000 0.287 155 V C -0.417 175.529 176.094 -0.248 0.000 1.020 155 V CA -0.724 61.446 62.300 -0.218 0.000 0.850 155 V CB 0.915 32.363 31.823 -0.625 0.000 0.987 155 V HN 0.347 nan 8.190 nan 0.000 0.436 156 F N 5.778 125.688 119.950 -0.066 0.000 2.404 156 F HA 0.521 5.050 4.527 0.004 0.000 0.358 156 F C 0.292 176.204 175.800 0.187 0.000 1.120 156 F CA -0.266 57.796 58.000 0.102 0.000 1.144 156 F CB 0.819 39.928 39.000 0.181 0.000 1.133 156 F HN 0.222 nan 8.300 nan 0.000 0.495 157 L N 6.059 127.373 121.223 0.153 0.000 2.344 157 L HA 0.513 4.855 4.340 0.002 0.000 0.272 157 L C -2.091 174.643 176.870 -0.226 0.000 1.035 157 L CA -2.301 52.583 54.840 0.074 0.000 0.807 157 L CB 1.217 43.282 42.059 0.011 0.000 1.237 157 L HN 0.330 nan 8.230 nan 0.000 0.442 158 P HA 0.025 nan 4.420 nan 0.000 0.269 158 P C -1.332 175.740 177.300 -0.380 0.000 1.215 158 P CA -0.197 62.321 63.100 -0.970 0.000 0.780 158 P CB 0.510 31.762 31.700 -0.746 0.000 0.898 159 K N 3.562 123.815 120.400 -0.244 0.000 2.264 159 K HA 0.327 4.648 4.320 0.002 0.000 0.277 159 K C -1.800 174.849 176.600 0.081 0.000 1.067 159 K CA -1.671 54.601 56.287 -0.025 0.000 0.900 159 K CB 0.641 33.158 32.500 0.028 0.000 1.124 159 K HN 0.431 nan 8.250 nan 0.000 0.469 160 P HA 0.171 nan 4.420 nan 0.000 0.302 160 P C -0.436 176.884 177.300 0.035 0.000 1.307 160 P CA -0.479 62.633 63.100 0.020 0.000 0.754 160 P CB 1.176 32.867 31.700 -0.015 0.000 1.298 161 S N -2.536 113.191 115.700 0.046 0.000 2.688 161 S HA 0.406 4.878 4.470 0.002 0.000 0.275 161 S C -1.828 172.830 174.600 0.096 0.000 1.175 161 S CA -0.672 57.596 58.200 0.113 0.000 0.818 161 S CB 0.058 63.443 63.200 0.308 0.000 1.157 161 S HN 0.418 nan 8.310 nan 0.000 0.482 162 W N 2.740 123.929 121.300 -0.186 0.000 2.295 162 W HA 0.374 5.035 4.660 0.002 0.000 0.335 162 W C 1.347 177.732 176.519 -0.222 0.000 1.351 162 W CA 0.343 57.496 57.345 -0.320 0.000 1.273 162 W CB -0.215 28.877 29.460 -0.614 0.000 1.214 162 W HN 0.852 nan 8.180 nan 0.000 0.563 163 G N 4.077 112.674 108.800 -0.338 0.000 2.574 163 G HA2 -0.451 3.510 3.960 0.002 0.000 0.220 163 G HA3 -0.451 3.510 3.960 0.002 0.000 0.220 163 G C 1.471 176.076 174.900 -0.491 0.000 1.173 163 G CA 1.417 46.299 45.100 -0.363 0.000 0.772 163 G HN 0.601 nan 8.290 nan 0.000 0.585 164 N N 0.308 118.423 118.700 -0.974 0.000 2.430 164 N HA -0.081 4.661 4.740 0.002 0.000 0.186 164 N C 1.776 177.058 175.510 -0.380 0.000 1.032 164 N CA 0.887 53.428 53.050 -0.850 0.000 0.893 164 N CB -0.503 37.067 38.487 -1.529 0.000 0.957 164 N HN 0.686 nan 8.380 nan 0.000 0.442 165 H N -1.481 117.475 119.070 -0.191 0.000 2.352 165 H HA -0.093 4.464 4.556 0.002 0.000 0.299 165 H C 1.554 176.992 175.328 0.183 0.000 1.097 165 H CA 1.617 57.767 56.048 0.171 0.000 1.311 165 H CB 0.197 30.124 29.762 0.276 0.000 1.377 165 H HN 0.225 nan 8.280 nan 0.000 0.504 166 T N 1.163 115.814 114.554 0.162 0.000 2.614 166 T HA -0.103 4.248 4.350 0.002 0.000 0.263 166 T C -0.729 174.013 174.700 0.069 0.000 1.055 166 T CA 1.550 63.712 62.100 0.103 0.000 1.162 166 T CB -0.981 67.900 68.868 0.021 0.000 0.863 166 T HN 0.396 nan 8.240 nan 0.000 0.414 167 P HA 0.026 nan 4.420 nan 0.000 0.219 167 P C 1.427 178.704 177.300 -0.038 0.000 1.146 167 P CA 0.928 64.007 63.100 -0.035 0.000 0.808 167 P CB -0.266 31.385 31.700 -0.081 0.000 0.779 168 I N -1.645 118.897 120.570 -0.048 0.000 2.142 168 I HA -0.242 3.929 4.170 0.002 0.000 0.240 168 I C 2.303 178.286 176.117 -0.225 0.000 1.078 168 I CA 1.578 62.793 61.300 -0.142 0.000 1.343 168 I CB -0.655 37.238 38.000 -0.179 0.000 1.046 168 I HN -0.189 nan 8.210 nan 0.000 0.405 169 F N 0.309 120.235 119.950 -0.039 0.000 2.146 169 F HA -0.146 4.383 4.527 0.003 0.000 0.298 169 F C 2.686 178.458 175.800 -0.045 0.000 1.096 169 F CA 1.197 59.161 58.000 -0.059 0.000 1.275 169 F CB -0.494 38.450 39.000 -0.094 0.000 1.008 169 F HN -0.138 nan 8.300 nan 0.000 0.480 170 R N 0.898 121.467 120.500 0.116 0.000 2.082 170 R HA -0.172 4.170 4.340 0.002 0.000 0.234 170 R C 1.827 178.134 176.300 0.013 0.000 1.136 170 R CA 2.200 58.330 56.100 0.050 0.000 0.935 170 R CB -0.631 29.685 30.300 0.027 0.000 0.842 170 R HN 0.082 nan 8.270 nan 0.000 0.430 171 D N -0.170 120.223 120.400 -0.013 0.000 2.182 171 D HA -0.134 4.507 4.640 0.002 0.000 0.201 171 D C 1.495 177.776 176.300 -0.032 0.000 0.986 171 D CA 1.535 55.519 54.000 -0.027 0.000 0.847 171 D CB -0.258 40.518 40.800 -0.040 0.000 0.942 171 D HN 0.442 nan 8.370 nan 0.000 0.467 172 A N -0.439 122.351 122.820 -0.050 0.000 2.167 172 A HA 0.353 4.674 4.320 0.002 0.000 0.214 172 A C 1.725 179.300 177.584 -0.014 0.000 1.151 172 A CA 1.306 53.314 52.037 -0.049 0.000 0.735 172 A CB -0.079 18.860 19.000 -0.102 0.000 0.802 172 A HN 0.293 nan 8.150 nan 0.000 0.467 173 G N -2.401 106.404 108.800 0.008 0.000 2.141 173 G HA2 -0.102 3.859 3.960 0.002 0.000 0.164 173 G HA3 -0.102 3.859 3.960 0.002 0.000 0.164 173 G C -0.124 174.797 174.900 0.036 0.000 1.009 173 G CA 0.138 45.246 45.100 0.013 0.000 0.677 173 G HN 0.171 nan 8.290 nan 0.000 0.508 174 M N -0.254 119.390 119.600 0.074 0.000 2.762 174 M HA 0.637 5.118 4.480 0.002 0.000 0.306 174 M C 0.143 176.476 176.300 0.055 0.000 1.223 174 M CA -0.806 54.550 55.300 0.093 0.000 0.896 174 M CB 1.346 34.064 32.600 0.197 0.000 1.684 174 M HN 0.083 nan 8.290 nan 0.000 0.491 175 Q N 1.022 120.830 119.800 0.014 0.000 2.257 175 Q HA 0.634 4.976 4.340 0.002 0.000 0.262 175 Q C -1.075 174.864 176.000 -0.101 0.000 0.997 175 Q CA -0.734 55.049 55.803 -0.033 0.000 0.873 175 Q CB 2.113 30.827 28.738 -0.039 0.000 1.312 175 Q HN 0.436 nan 8.270 nan 0.000 0.450 176 L N 1.813 122.962 121.223 -0.125 0.000 2.325 176 L HA 0.503 4.845 4.340 0.002 0.000 0.278 176 L C 0.268 176.965 176.870 -0.287 0.000 1.023 176 L CA -0.339 54.381 54.840 -0.199 0.000 0.811 176 L CB 1.349 43.337 42.059 -0.118 0.000 1.249 176 L HN 0.530 nan 8.230 nan 0.000 0.431 177 Q N 0.912 120.438 119.800 -0.456 0.000 2.683 177 Q HA 0.784 5.125 4.340 0.002 0.000 0.302 177 Q C -0.442 175.359 176.000 -0.332 0.000 1.042 177 Q CA -0.791 54.673 55.803 -0.565 0.000 0.773 177 Q CB 2.700 30.579 28.738 -1.431 0.000 1.508 177 Q HN 0.774 nan 8.270 nan 0.000 0.459 178 G N 0.115 108.853 108.800 -0.105 0.000 2.619 178 G HA2 0.691 4.652 3.960 0.002 0.000 0.296 178 G HA3 0.691 4.652 3.960 0.002 0.000 0.296 178 G C -1.851 173.266 174.900 0.363 0.000 1.334 178 G CA -0.525 44.629 45.100 0.089 0.000 0.934 178 G HN 0.461 nan 8.290 nan 0.000 0.476 179 Y N -1.192 119.254 120.300 0.243 0.000 2.512 179 Y HA 0.748 5.300 4.550 0.003 0.000 0.348 179 Y C 0.146 176.161 175.900 0.192 0.000 0.990 179 Y CA -1.734 56.503 58.100 0.227 0.000 1.033 179 Y CB 1.344 39.943 38.460 0.232 0.000 1.259 179 Y HN 0.484 nan 8.280 nan 0.000 0.461 180 R N 2.259 122.914 120.500 0.258 0.000 2.458 180 R HA 0.056 4.398 4.340 0.002 0.000 0.303 180 R C -0.862 175.578 176.300 0.233 0.000 1.013 180 R CA 0.491 56.688 56.100 0.163 0.000 1.026 180 R CB 0.106 30.455 30.300 0.082 0.000 0.948 180 R HN 0.936 nan 8.270 nan 0.000 0.417 181 Y N 3.289 123.613 120.300 0.040 0.000 3.105 181 Y HA 0.079 4.630 4.550 0.002 0.000 0.216 181 Y C -0.323 175.660 175.900 0.139 0.000 0.943 181 Y CA -0.124 58.056 58.100 0.134 0.000 1.535 181 Y CB 0.094 38.536 38.460 -0.031 0.000 1.475 181 Y HN 0.521 nan 8.280 nan 0.000 0.435 182 Y N 3.115 123.452 120.300 0.063 0.000 2.442 182 Y HA 0.250 4.801 4.550 0.002 0.000 0.330 182 Y C -0.601 175.277 175.900 -0.037 0.000 1.129 182 Y CA -0.513 57.567 58.100 -0.033 0.000 1.365 182 Y CB 0.316 38.773 38.460 -0.005 0.000 1.233 182 Y HN 0.162 nan 8.280 nan 0.000 0.529 183 D N 8.878 128.854 120.400 -0.707 0.000 2.412 183 D HA 0.244 4.885 4.640 0.002 0.000 0.224 183 D C -1.972 173.899 176.300 -0.715 0.000 1.093 183 D CA -2.559 51.112 54.000 -0.547 0.000 0.850 183 D CB 1.591 42.161 40.800 -0.384 0.000 1.046 183 D HN 0.357 nan 8.370 nan 0.000 0.507 184 P HA -0.073 nan 4.420 nan 0.000 0.225 184 P C 0.635 177.837 177.300 -0.164 0.000 1.156 184 P CA 0.758 63.753 63.100 -0.174 0.000 0.787 184 P CB 0.391 32.135 31.700 0.073 0.000 0.802 185 K N -0.131 120.164 120.400 -0.174 0.000 2.217 185 K HA -0.018 4.303 4.320 0.002 0.000 0.202 185 K C 1.747 178.237 176.600 -0.183 0.000 1.051 185 K CA 1.813 58.012 56.287 -0.147 0.000 0.952 185 K CB -0.657 31.773 32.500 -0.117 0.000 0.736 185 K HN 0.282 nan 8.250 nan 0.000 0.453 186 T N -3.793 110.619 114.554 -0.237 0.000 3.004 186 T HA 0.117 4.468 4.350 0.002 0.000 0.266 186 T C 0.806 175.348 174.700 -0.263 0.000 0.986 186 T CA -0.107 61.864 62.100 -0.214 0.000 0.902 186 T CB -0.375 68.397 68.868 -0.159 0.000 1.118 186 T HN 0.227 nan 8.240 nan 0.000 0.522 187 C N 1.287 120.385 119.300 -0.336 0.000 4.356 187 C HA 0.073 4.535 4.460 0.002 0.000 0.296 187 C C 1.423 176.384 174.990 -0.048 0.000 1.424 187 C CA -0.008 58.892 59.018 -0.196 0.000 2.000 187 C CB -2.348 25.166 27.740 -0.376 0.000 1.262 187 C HN 1.066 nan 8.230 nan 0.000 0.789 188 G N -1.836 106.842 108.800 -0.204 0.000 3.222 188 G HA2 0.681 4.642 3.960 0.002 0.000 0.263 188 G HA3 0.681 4.642 3.960 0.002 0.000 0.263 188 G C -0.959 173.871 174.900 -0.118 0.000 1.312 188 G CA -0.527 44.538 45.100 -0.059 0.000 0.934 188 G HN 0.351 nan 8.290 nan 0.000 0.577 189 F N 1.414 121.222 119.950 -0.236 0.000 2.427 189 F HA 0.436 4.964 4.527 0.002 0.000 0.352 189 F C 0.042 175.698 175.800 -0.240 0.000 1.100 189 F CA -1.865 55.929 58.000 -0.343 0.000 1.191 189 F CB 1.565 40.367 39.000 -0.330 0.000 1.128 189 F HN 0.261 nan 8.300 nan 0.000 0.533 190 D N 6.439 126.416 120.400 -0.705 0.000 2.619 190 D HA -0.030 4.611 4.640 0.002 0.000 0.224 190 D C 1.205 176.937 176.300 -0.947 0.000 1.133 190 D CA -0.131 53.503 54.000 -0.610 0.000 1.017 190 D CB -0.738 39.853 40.800 -0.349 0.000 1.077 190 D HN 0.509 nan 8.370 nan 0.000 0.503 191 F N 2.389 121.577 119.950 -1.270 0.000 2.063 191 F HA -0.307 4.222 4.527 0.003 0.000 0.298 191 F C 2.330 177.853 175.800 -0.461 0.000 1.109 191 F CA 2.297 59.692 58.000 -1.009 0.000 1.212 191 F CB -0.434 38.276 39.000 -0.485 0.000 0.973 191 F HN 0.348 nan 8.300 nan 0.000 0.480 192 S N -0.540 114.959 115.700 -0.335 0.000 2.406 192 S HA 0.004 4.476 4.470 0.002 0.000 0.228 192 S C 2.370 176.799 174.600 -0.285 0.000 1.020 192 S CA 0.696 58.705 58.200 -0.318 0.000 0.965 192 S CB -1.435 61.684 63.200 -0.136 0.000 0.798 192 S HN 0.474 nan 8.310 nan 0.000 0.488 193 G N 1.742 110.393 108.800 -0.248 0.000 2.404 193 G HA2 0.101 4.062 3.960 0.002 0.000 0.215 193 G HA3 0.101 4.062 3.960 0.002 0.000 0.215 193 G C 1.659 176.494 174.900 -0.109 0.000 1.174 193 G CA 0.733 45.741 45.100 -0.154 0.000 0.780 193 G HN 0.709 nan 8.290 nan 0.000 0.537 194 A N 0.447 123.173 122.820 -0.157 0.000 1.877 194 A HA 0.040 4.361 4.320 0.002 0.000 0.216 194 A C 2.384 179.917 177.584 -0.085 0.000 1.186 194 A CA 1.656 53.714 52.037 0.036 0.000 0.620 194 A CB -0.567 18.532 19.000 0.164 0.000 0.822 194 A HN 0.377 nan 8.150 nan 0.000 0.443 195 L N -0.096 120.933 121.223 -0.323 0.000 2.083 195 L HA -0.160 4.181 4.340 0.002 0.000 0.209 195 L C 2.423 179.171 176.870 -0.203 0.000 1.083 195 L CA 2.517 57.156 54.840 -0.334 0.000 0.752 195 L CB -0.374 41.303 42.059 -0.636 0.000 0.899 195 L HN 0.660 nan 8.230 nan 0.000 0.433 196 E N -0.982 119.112 120.200 -0.176 0.000 2.046 196 E HA -0.228 4.123 4.350 0.002 0.000 0.190 196 E C 1.654 178.214 176.600 -0.066 0.000 0.982 196 E CA 1.325 57.662 56.400 -0.105 0.000 0.800 196 E CB -0.046 29.603 29.700 -0.084 0.000 0.756 196 E HN 0.463 nan 8.360 nan 0.000 0.449 197 D N 0.616 120.997 120.400 -0.032 0.000 2.104 197 D HA -0.171 4.470 4.640 0.002 0.000 0.194 197 D C 2.002 178.262 176.300 -0.066 0.000 0.994 197 D CA 1.135 55.144 54.000 0.016 0.000 0.830 197 D CB -0.208 40.675 40.800 0.139 0.000 0.959 197 D HN 0.290 nan 8.370 nan 0.000 0.452 198 I N 0.745 121.247 120.570 -0.114 0.000 2.493 198 I HA -0.204 3.967 4.170 0.002 0.000 0.254 198 I C 2.112 178.119 176.117 -0.183 0.000 1.160 198 I CA 0.990 62.161 61.300 -0.215 0.000 1.445 198 I CB -0.073 37.791 38.000 -0.227 0.000 1.086 198 I HN -0.025 nan 8.210 nan 0.000 0.433 199 S N -0.103 115.520 115.700 -0.129 0.000 2.593 199 S HA 0.054 4.525 4.470 0.002 0.000 0.217 199 S C 1.430 175.975 174.600 -0.092 0.000 0.966 199 S CA 0.103 58.241 58.200 -0.103 0.000 0.914 199 S CB -0.122 63.030 63.200 -0.081 0.000 0.776 199 S HN 0.392 nan 8.310 nan 0.000 0.523 200 K N 0.690 121.032 120.400 -0.098 0.000 2.374 200 K HA 0.365 4.687 4.320 0.002 0.000 0.202 200 K C -0.094 176.443 176.600 -0.104 0.000 1.040 200 K CA -0.249 55.997 56.287 -0.068 0.000 1.085 200 K CB 0.332 32.815 32.500 -0.029 0.000 0.873 200 K HN 0.427 nan 8.250 nan 0.000 0.539 201 I N 4.072 124.506 120.570 -0.227 0.000 2.752 201 I HA -0.037 4.134 4.170 0.002 0.000 0.289 201 I C -2.136 173.867 176.117 -0.190 0.000 1.197 201 I CA -1.612 59.451 61.300 -0.395 0.000 1.432 201 I CB 0.062 37.613 38.000 -0.749 0.000 1.359 201 I HN -0.214 nan 8.210 nan 0.000 0.571 202 P HA 0.034 nan 4.420 nan 0.000 0.268 202 P C -0.580 176.729 177.300 0.016 0.000 1.205 202 P CA -0.154 62.952 63.100 0.010 0.000 0.771 202 P CB 0.377 32.132 31.700 0.091 0.000 0.858 203 E N 2.559 122.774 120.200 0.025 0.000 2.467 203 E HA -0.119 4.233 4.350 0.002 0.000 0.264 203 E C 0.336 176.990 176.600 0.090 0.000 1.020 203 E CA 0.477 56.898 56.400 0.035 0.000 0.945 203 E CB -0.030 29.685 29.700 0.026 0.000 0.942 203 E HN 0.450 nan 8.360 nan 0.000 0.449 204 Q N -0.619 119.246 119.800 0.109 0.000 2.489 204 Q HA -0.178 4.163 4.340 0.002 0.000 0.259 204 Q C -0.388 175.840 176.000 0.381 0.000 0.934 204 Q CA 0.355 56.279 55.803 0.201 0.000 1.131 204 Q CB -1.604 27.191 28.738 0.095 0.000 1.472 204 Q HN 0.398 nan 8.270 nan 0.000 0.560 205 S N -0.335 115.538 115.700 0.289 0.000 2.634 205 S HA 0.488 4.959 4.470 0.002 0.000 0.261 205 S C 0.435 175.226 174.600 0.317 0.000 1.271 205 S CA -0.590 57.818 58.200 0.347 0.000 0.985 205 S CB 1.397 64.754 63.200 0.260 0.000 0.968 205 S HN 0.196 nan 8.310 nan 0.000 0.568 206 V N 1.871 121.941 119.914 0.260 0.000 2.483 206 V HA 0.465 4.586 4.120 0.002 0.000 0.295 206 V C -0.349 175.863 176.094 0.196 0.000 1.035 206 V CA -0.549 61.847 62.300 0.159 0.000 0.896 206 V CB 1.214 33.022 31.823 -0.024 0.000 0.986 206 V HN 0.621 nan 8.190 nan 0.000 0.447 207 L N 5.481 126.796 121.223 0.153 0.000 2.349 207 L HA 0.610 4.951 4.340 0.002 0.000 0.278 207 L C -0.904 176.020 176.870 0.091 0.000 0.996 207 L CA -0.649 54.259 54.840 0.113 0.000 0.825 207 L CB 1.712 43.772 42.059 0.000 0.000 1.243 207 L HN 0.627 nan 8.230 nan 0.000 0.412 208 L N 5.690 126.979 121.223 0.110 0.000 2.275 208 L HA 0.537 4.879 4.340 0.002 0.000 0.288 208 L C -1.318 175.669 176.870 0.194 0.000 1.046 208 L CA -0.361 54.525 54.840 0.076 0.000 0.805 208 L CB 1.192 43.169 42.059 -0.136 0.000 1.193 208 L HN 0.572 nan 8.230 nan 0.000 0.426 209 L N 4.945 126.201 121.223 0.056 0.000 2.362 209 L HA 0.466 4.808 4.340 0.002 0.000 0.275 209 L C -0.430 176.640 176.870 0.334 0.000 0.998 209 L CA -0.611 54.309 54.840 0.132 0.000 0.820 209 L CB 1.621 43.472 42.059 -0.346 0.000 1.270 209 L HN 0.550 nan 8.230 nan 0.000 0.415 210 H N 2.113 121.400 119.070 0.361 0.000 2.668 210 H HA 0.194 4.751 4.556 0.002 0.000 0.303 210 H C 0.526 176.172 175.328 0.531 0.000 1.074 210 H CA -0.133 56.156 56.048 0.402 0.000 1.406 210 H CB 2.037 32.029 29.762 0.383 0.000 1.442 210 H HN 0.887 nan 8.280 nan 0.000 0.482 211 A N 3.757 126.894 122.820 0.527 0.000 1.898 211 A HA -0.046 4.275 4.320 0.002 0.000 0.216 211 A C 1.121 178.925 177.584 0.366 0.000 1.181 211 A CA 1.283 53.535 52.037 0.357 0.000 0.620 211 A CB -0.086 18.954 19.000 0.067 0.000 0.819 211 A HN 0.785 nan 8.150 nan 0.000 0.442 212 C N -5.422 114.114 119.300 0.394 0.000 3.241 212 C HA 0.690 5.151 4.460 0.002 0.000 0.348 212 C C 0.323 175.559 174.990 0.409 0.000 1.180 212 C CA -0.569 58.678 59.018 0.381 0.000 1.273 212 C CB 0.666 28.561 27.740 0.258 0.000 1.620 212 C HN 2.270 nan 8.230 nan 0.000 0.510 213 A N 2.601 125.625 122.820 0.339 0.000 2.303 213 A HA -0.092 4.229 4.320 0.002 0.000 0.286 213 A C 0.234 178.019 177.584 0.334 0.000 1.429 213 A CA 1.242 53.435 52.037 0.260 0.000 0.738 213 A CB -2.225 16.840 19.000 0.108 0.000 1.149 213 A HN 2.193 nan 8.150 nan 0.000 0.364 214 H N 1.024 120.254 119.070 0.266 0.000 3.034 214 H HA 0.185 4.742 4.556 0.002 0.000 0.324 214 H C 0.147 175.588 175.328 0.189 0.000 1.015 214 H CA 1.322 57.496 56.048 0.210 0.000 1.429 214 H CB 0.452 30.231 29.762 0.028 0.000 1.429 214 H HN 0.661 nan 8.280 nan 0.000 0.585 215 N N 6.685 125.272 118.700 -0.188 0.000 2.446 215 N HA 0.170 4.912 4.740 0.002 0.000 0.265 215 N C -2.218 173.067 175.510 -0.376 0.000 0.975 215 N CA -2.224 50.767 53.050 -0.098 0.000 0.928 215 N CB 1.695 40.205 38.487 0.038 0.000 1.160 215 N HN 0.412 nan 8.380 nan 0.000 0.495 216 P HA 0.125 nan 4.420 nan 0.000 0.275 216 P C 0.732 178.030 177.300 -0.005 0.000 1.310 216 P CA 0.288 63.322 63.100 -0.110 0.000 0.904 216 P CB 0.429 32.118 31.700 -0.018 0.000 1.381 217 T N -4.517 109.979 114.554 -0.096 0.000 3.054 217 T HA 0.234 4.585 4.350 0.002 0.000 0.259 217 T C 1.689 176.515 174.700 0.209 0.000 1.092 217 T CA 1.198 63.171 62.100 -0.211 0.000 1.121 217 T CB -1.090 67.595 68.868 -0.304 0.000 0.912 217 T HN 0.154 nan 8.240 nan 0.000 0.489 218 G N 0.941 109.914 108.800 0.288 0.000 2.184 218 G HA2 -0.234 3.728 3.960 0.002 0.000 0.264 218 G HA3 -0.234 3.728 3.960 0.002 0.000 0.264 218 G C 0.247 175.286 174.900 0.231 0.000 0.975 218 G CA 0.393 45.645 45.100 0.252 0.000 0.642 218 G HN 1.625 nan 8.290 nan 0.000 0.536 219 V N -0.765 119.289 119.914 0.234 0.000 2.383 219 V HA 0.761 4.882 4.120 0.002 0.000 0.275 219 V C -0.749 175.398 176.094 0.087 0.000 1.036 219 V CA -0.904 61.487 62.300 0.152 0.000 0.889 219 V CB 1.638 33.547 31.823 0.144 0.000 0.985 219 V HN 0.092 nan 8.190 nan 0.000 0.459 220 D N 6.498 126.914 120.400 0.025 0.000 2.350 220 D HA 0.603 5.245 4.640 0.002 0.000 0.245 220 D C -2.689 173.406 176.300 -0.342 0.000 1.036 220 D CA -1.361 52.614 54.000 -0.042 0.000 0.848 220 D CB 2.020 42.900 40.800 0.133 0.000 1.307 220 D HN 0.506 nan 8.370 nan 0.000 0.469 221 P HA 0.214 nan 4.420 nan 0.000 0.269 221 P C -0.253 176.808 177.300 -0.399 0.000 1.215 221 P CA -0.255 62.309 63.100 -0.893 0.000 0.780 221 P CB 0.873 31.649 31.700 -1.539 0.000 0.898 222 R N 2.921 123.298 120.500 -0.205 0.000 2.536 222 R HA 0.264 4.606 4.340 0.002 0.000 0.279 222 R C -1.476 174.857 176.300 0.054 0.000 1.001 222 R CA -1.743 54.330 56.100 -0.045 0.000 1.027 222 R CB 0.074 30.328 30.300 -0.076 0.000 1.096 222 R HN 0.323 nan 8.270 nan 0.000 0.502 223 P HA -0.300 nan 4.420 nan 0.000 0.219 223 P C 0.274 177.638 177.300 0.107 0.000 1.161 223 P CA 1.722 64.811 63.100 -0.018 0.000 0.909 223 P CB 0.119 31.468 31.700 -0.585 0.000 0.793 224 E N -0.432 119.758 120.200 -0.016 0.000 2.147 224 E HA -0.271 4.080 4.350 0.002 0.000 0.199 224 E C 1.997 178.635 176.600 0.063 0.000 1.005 224 E CA 1.276 57.679 56.400 0.005 0.000 0.810 224 E CB -0.692 28.964 29.700 -0.074 0.000 0.736 224 E HN 0.533 nan 8.360 nan 0.000 0.460 225 Q N -0.314 119.510 119.800 0.041 0.000 2.204 225 Q HA -0.043 4.299 4.340 0.002 0.000 0.198 225 Q C 1.879 178.135 176.000 0.427 0.000 0.946 225 Q CA 0.629 56.514 55.803 0.136 0.000 0.859 225 Q CB -0.213 28.475 28.738 -0.083 0.000 0.946 225 Q HN 0.369 nan 8.270 nan 0.000 0.474 226 W N 2.277 123.781 121.300 0.340 0.000 2.321 226 W HA -0.211 4.450 4.660 0.001 0.000 0.306 226 W C 2.143 178.916 176.519 0.424 0.000 1.217 226 W CA 0.876 58.499 57.345 0.463 0.000 1.257 226 W CB 0.045 29.827 29.460 0.536 0.000 1.145 226 W HN 0.076 nan 8.180 nan 0.000 0.509 227 K N -0.012 120.703 120.400 0.525 0.000 2.044 227 K HA -0.226 4.095 4.320 0.002 0.000 0.210 227 K C 1.736 178.537 176.600 0.335 0.000 1.049 227 K CA 1.748 58.259 56.287 0.374 0.000 0.927 227 K CB -0.369 32.278 32.500 0.245 0.000 0.713 227 K HN 0.145 nan 8.250 nan 0.000 0.443 228 E N 0.658 121.060 120.200 0.337 0.000 2.107 228 E HA -0.116 4.235 4.350 0.002 0.000 0.191 228 E C 2.166 178.898 176.600 0.221 0.000 0.982 228 E CA 0.880 57.446 56.400 0.276 0.000 0.809 228 E CB -0.192 29.740 29.700 0.386 0.000 0.756 228 E HN 0.351 nan 8.360 nan 0.000 0.459 229 I N 1.680 122.440 120.570 0.316 0.000 2.113 229 I HA -0.259 3.913 4.170 0.002 0.000 0.238 229 I C 2.621 178.811 176.117 0.121 0.000 1.070 229 I CA 1.182 62.640 61.300 0.264 0.000 1.332 229 I CB -0.522 37.748 38.000 0.452 0.000 1.044 229 I HN -0.008 nan 8.210 nan 0.000 0.402 230 A N 0.111 122.948 122.820 0.029 0.000 1.929 230 A HA -0.366 3.955 4.320 0.002 0.000 0.221 230 A C 2.489 179.913 177.584 -0.265 0.000 1.211 230 A CA 2.841 54.538 52.037 -0.567 0.000 0.657 230 A CB -1.190 17.484 19.000 -0.544 0.000 0.827 230 A HN 0.490 nan 8.150 nan 0.000 0.462 231 S N -0.986 114.676 115.700 -0.062 0.000 2.356 231 S HA -0.116 4.355 4.470 0.002 0.000 0.223 231 S C 1.882 176.458 174.600 -0.041 0.000 1.032 231 S CA 1.683 59.863 58.200 -0.033 0.000 1.005 231 S CB -0.601 62.623 63.200 0.041 0.000 0.867 231 S HN 0.357 nan 8.310 nan 0.000 0.449 232 V N 1.675 121.574 119.914 -0.024 0.000 2.407 232 V HA -0.101 4.020 4.120 0.002 0.000 0.248 232 V C 2.566 178.626 176.094 -0.056 0.000 1.055 232 V CA 1.618 63.896 62.300 -0.038 0.000 1.049 232 V CB -0.781 31.018 31.823 -0.039 0.000 0.662 232 V HN 0.440 nan 8.190 nan 0.000 0.455 233 V N 0.010 119.882 119.914 -0.069 0.000 2.332 233 V HA -0.327 3.794 4.120 0.002 0.000 0.248 233 V C 2.478 178.530 176.094 -0.071 0.000 1.055 233 V CA 2.446 64.705 62.300 -0.067 0.000 1.038 233 V CB -0.647 31.133 31.823 -0.072 0.000 0.651 233 V HN 0.549 nan 8.190 nan 0.000 0.450 234 K N 0.586 120.926 120.400 -0.101 0.000 2.103 234 K HA -0.200 4.122 4.320 0.002 0.000 0.204 234 K C 2.242 178.811 176.600 -0.051 0.000 1.052 234 K CA 1.647 57.885 56.287 -0.082 0.000 0.945 234 K CB -0.008 32.429 32.500 -0.106 0.000 0.722 234 K HN 0.678 nan 8.250 nan 0.000 0.443 235 K N -0.227 120.145 120.400 -0.046 0.000 2.137 235 K HA -0.003 4.318 4.320 0.002 0.000 0.202 235 K C 1.529 178.113 176.600 -0.028 0.000 1.052 235 K CA 0.741 57.009 56.287 -0.032 0.000 0.961 235 K CB 0.118 32.602 32.500 -0.027 0.000 0.741 235 K HN -0.153 nan 8.250 nan 0.000 0.452 236 K N 1.031 121.412 120.400 -0.033 0.000 2.487 236 K HA -0.005 4.316 4.320 0.002 0.000 0.192 236 K C -0.070 176.521 176.600 -0.015 0.000 1.027 236 K CA 0.198 56.468 56.287 -0.029 0.000 1.054 236 K CB -0.366 32.105 32.500 -0.049 0.000 0.824 236 K HN 0.297 nan 8.250 nan 0.000 0.510 237 N N 1.086 119.778 118.700 -0.013 0.000 2.727 237 N HA -0.171 4.571 4.740 0.002 0.000 0.251 237 N C -1.065 174.472 175.510 0.046 0.000 1.040 237 N CA 0.302 53.354 53.050 0.004 0.000 0.712 237 N CB -1.571 36.910 38.487 -0.010 0.000 0.912 237 N HN 0.159 nan 8.380 nan 0.000 0.545 238 L N 0.016 121.269 121.223 0.051 0.000 2.399 238 L HA 0.510 4.851 4.340 0.002 0.000 0.265 238 L C 0.677 177.657 176.870 0.184 0.000 1.089 238 L CA -0.948 53.955 54.840 0.105 0.000 0.802 238 L CB 0.551 42.625 42.059 0.026 0.000 1.180 238 L HN 0.200 nan 8.230 nan 0.000 0.454 239 F N 1.539 121.546 119.950 0.094 0.000 2.405 239 F HA 0.591 5.119 4.527 0.001 0.000 0.355 239 F C 0.166 176.012 175.800 0.077 0.000 1.121 239 F CA -0.617 57.434 58.000 0.086 0.000 1.112 239 F CB 1.049 40.054 39.000 0.009 0.000 1.126 239 F HN 0.423 nan 8.300 nan 0.000 0.481 240 A N 7.066 129.667 122.820 -0.365 0.000 2.276 240 A HA 0.543 4.864 4.320 0.002 0.000 0.316 240 A C -1.676 175.751 177.584 -0.261 0.000 1.229 240 A CA -0.433 51.495 52.037 -0.182 0.000 0.851 240 A CB 0.130 19.130 19.000 -0.000 0.000 1.165 240 A HN 0.803 nan 8.150 nan 0.000 0.513 241 F N 3.023 122.846 119.950 -0.212 0.000 2.445 241 F HA 0.647 5.175 4.527 0.002 0.000 0.348 241 F C -1.346 174.401 175.800 -0.088 0.000 1.125 241 F CA -0.756 57.240 58.000 -0.007 0.000 0.983 241 F CB 0.827 39.924 39.000 0.161 0.000 1.198 241 F HN 0.509 nan 8.300 nan 0.000 0.436 242 F N 4.042 123.975 119.950 -0.029 0.000 2.404 242 F HA 0.273 4.802 4.527 0.002 0.000 0.339 242 F C 0.080 175.917 175.800 0.061 0.000 1.105 242 F CA -0.403 57.596 58.000 -0.002 0.000 1.087 242 F CB 1.016 39.904 39.000 -0.187 0.000 1.143 242 F HN 0.360 nan 8.300 nan 0.000 0.491 243 D N 4.306 124.878 120.400 0.287 0.000 2.233 243 D HA 0.286 4.928 4.640 0.002 0.000 0.240 243 D C -1.029 175.326 176.300 0.092 0.000 1.074 243 D CA -0.364 53.737 54.000 0.167 0.000 0.838 243 D CB 1.307 42.164 40.800 0.096 0.000 1.124 243 D HN 0.536 nan 8.370 nan 0.000 0.475 244 M N 4.000 123.597 119.600 -0.005 0.000 1.998 244 M HA 0.499 4.980 4.480 0.002 0.000 0.289 244 M C -0.762 175.415 176.300 -0.205 0.000 0.886 244 M CA -0.464 54.795 55.300 -0.068 0.000 0.853 244 M CB 1.124 33.663 32.600 -0.102 0.000 1.462 244 M HN 0.373 nan 8.290 nan 0.000 0.375 245 A N 3.056 125.666 122.820 -0.350 0.000 2.390 245 A HA 0.282 4.603 4.320 0.002 0.000 0.232 245 A C -0.327 176.695 177.584 -0.936 0.000 1.233 245 A CA 0.190 51.810 52.037 -0.695 0.000 0.907 245 A CB 0.103 18.529 19.000 -0.956 0.000 0.967 245 A HN 0.810 nan 8.150 nan 0.000 0.512 246 Y N -0.343 119.917 120.300 -0.067 0.000 2.685 246 Y HA 0.303 4.855 4.550 0.002 0.000 0.257 246 Y C 0.413 176.347 175.900 0.056 0.000 1.053 246 Y CA -0.967 57.135 58.100 0.004 0.000 1.106 246 Y CB -0.188 38.333 38.460 0.102 0.000 1.193 246 Y HN 0.312 nan 8.280 nan 0.000 0.602 247 Q N 0.579 120.413 119.800 0.057 0.000 2.297 247 Q HA 0.393 4.734 4.340 0.002 0.000 0.267 247 Q C 1.162 177.208 176.000 0.077 0.000 1.006 247 Q CA 1.370 57.201 55.803 0.048 0.000 0.896 247 Q CB 0.745 29.465 28.738 -0.029 0.000 1.186 247 Q HN 0.790 nan 8.270 nan 0.000 0.392 248 G N 3.723 112.557 108.800 0.057 0.000 2.812 248 G HA2 -0.389 3.573 3.960 0.002 0.000 0.219 248 G HA3 -0.389 3.573 3.960 0.002 0.000 0.219 248 G C 0.437 175.362 174.900 0.042 0.000 1.275 248 G CA 0.347 45.439 45.100 -0.014 0.000 0.769 248 G HN 0.704 nan 8.290 nan 0.000 0.527 249 F N 2.816 122.765 119.950 -0.002 0.000 2.216 249 F HA 0.274 4.803 4.527 0.002 0.000 0.300 249 F C 2.816 178.637 175.800 0.035 0.000 1.085 249 F CA 2.418 60.438 58.000 0.033 0.000 1.326 249 F CB -0.259 38.825 39.000 0.139 0.000 1.027 249 F HN 0.489 nan 8.300 nan 0.000 0.497 250 A N -0.256 122.719 122.820 0.258 0.000 1.828 250 A HA -0.235 4.087 4.320 0.002 0.000 0.215 250 A C 2.212 179.806 177.584 0.017 0.000 1.203 250 A CA 2.435 54.559 52.037 0.144 0.000 0.614 250 A CB -1.362 17.749 19.000 0.185 0.000 0.844 250 A HN 0.446 nan 8.150 nan 0.000 0.445 251 S N -2.850 112.861 115.700 0.018 0.000 2.539 251 S HA 0.434 4.906 4.470 0.002 0.000 0.221 251 S C 1.339 175.909 174.600 -0.050 0.000 0.987 251 S CA 1.044 59.235 58.200 -0.015 0.000 0.929 251 S CB 0.338 63.544 63.200 0.010 0.000 0.832 251 S HN 2.106 nan 8.310 nan 0.000 0.492 252 G N 1.120 109.876 108.800 -0.074 0.000 2.234 252 G HA2 -0.247 3.714 3.960 0.002 0.000 0.260 252 G HA3 -0.247 3.714 3.960 0.002 0.000 0.260 252 G C -0.217 174.628 174.900 -0.091 0.000 0.987 252 G CA 0.282 45.320 45.100 -0.102 0.000 0.625 252 G HN 0.710 nan 8.290 nan 0.000 0.532 253 D N -0.008 120.358 120.400 -0.056 0.000 2.454 253 D HA 0.554 5.195 4.640 0.002 0.000 0.247 253 D C 1.597 177.882 176.300 -0.025 0.000 1.129 253 D CA 0.539 54.510 54.000 -0.047 0.000 0.877 253 D CB 0.441 41.221 40.800 -0.033 0.000 1.082 253 D HN 0.310 nan 8.370 nan 0.000 0.537 254 G N 3.023 111.796 108.800 -0.045 0.000 2.597 254 G HA2 -0.328 3.633 3.960 0.002 0.000 0.222 254 G HA3 -0.328 3.633 3.960 0.002 0.000 0.222 254 G C 1.060 175.962 174.900 0.004 0.000 1.135 254 G CA 0.865 45.952 45.100 -0.022 0.000 0.759 254 G HN 0.559 nan 8.290 nan 0.000 0.595 255 D N 0.500 120.909 120.400 0.015 0.000 2.277 255 D HA -0.023 4.618 4.640 0.002 0.000 0.208 255 D C 2.283 178.648 176.300 0.109 0.000 0.962 255 D CA 1.020 55.046 54.000 0.043 0.000 0.865 255 D CB -0.019 40.809 40.800 0.045 0.000 0.939 255 D HN 0.550 nan 8.370 nan 0.000 0.510 256 K N 0.226 120.683 120.400 0.095 0.000 2.353 256 K HA 0.085 4.406 4.320 0.002 0.000 0.195 256 K C 0.954 177.637 176.600 0.138 0.000 1.031 256 K CA 0.045 56.419 56.287 0.145 0.000 1.079 256 K CB 0.619 33.135 32.500 0.026 0.000 0.857 256 K HN -0.190 nan 8.250 nan 0.000 0.535 257 D N 2.276 122.727 120.400 0.084 0.000 2.144 257 D HA -0.065 4.577 4.640 0.002 0.000 0.200 257 D C 1.601 177.917 176.300 0.027 0.000 0.978 257 D CA 1.179 55.227 54.000 0.080 0.000 0.833 257 D CB 0.060 40.900 40.800 0.067 0.000 0.961 257 D HN 0.332 nan 8.370 nan 0.000 0.470 258 A N -0.642 122.169 122.820 -0.014 0.000 2.278 258 A HA 0.024 4.345 4.320 0.002 0.000 0.212 258 A C 1.719 179.199 177.584 -0.173 0.000 1.213 258 A CA -0.223 51.728 52.037 -0.142 0.000 0.840 258 A CB -0.879 18.026 19.000 -0.158 0.000 0.866 258 A HN 0.313 nan 8.150 nan 0.000 0.489 259 W N 0.591 121.767 121.300 -0.206 0.000 2.381 259 W HA -0.116 4.545 4.660 0.001 0.000 0.301 259 W C 2.156 178.525 176.519 -0.250 0.000 1.205 259 W CA 1.973 59.216 57.345 -0.169 0.000 1.285 259 W CB 0.001 29.405 29.460 -0.094 0.000 1.133 259 W HN 0.340 nan 8.180 nan 0.000 0.521 260 A N -0.223 122.434 122.820 -0.272 0.000 1.898 260 A HA -0.151 4.170 4.320 0.002 0.000 0.216 260 A C 1.986 179.052 177.584 -0.863 0.000 1.181 260 A CA 2.152 53.763 52.037 -0.709 0.000 0.620 260 A CB -1.218 16.762 19.000 -1.700 0.000 0.819 260 A HN 0.163 nan 8.150 nan 0.000 0.442 261 V N 0.270 119.519 119.914 -1.108 0.000 2.231 261 V HA -0.349 3.773 4.120 0.002 0.000 0.248 261 V C 2.643 178.354 176.094 -0.639 0.000 1.054 261 V CA 2.486 64.036 62.300 -1.249 0.000 1.015 261 V CB -0.940 30.243 31.823 -1.066 0.000 0.638 261 V HN 0.561 nan 8.190 nan 0.000 0.444 262 R N -0.672 119.505 120.500 -0.538 0.000 2.083 262 R HA -0.238 4.103 4.340 0.002 0.000 0.237 262 R C 2.352 178.399 176.300 -0.422 0.000 1.137 262 R CA 2.141 57.983 56.100 -0.430 0.000 0.951 262 R CB -0.654 29.407 30.300 -0.398 0.000 0.851 262 R HN 0.716 nan 8.270 nan 0.000 0.434 263 H N -0.087 118.560 119.070 -0.705 0.000 2.353 263 H HA -0.109 4.448 4.556 0.002 0.000 0.300 263 H C 1.618 176.816 175.328 -0.217 0.000 1.090 263 H CA 1.641 57.318 56.048 -0.619 0.000 1.327 263 H CB -0.097 29.001 29.762 -1.106 0.000 1.383 263 H HN 0.059 nan 8.280 nan 0.000 0.508 264 F N 0.315 120.043 119.950 -0.370 0.000 2.095 264 F HA -0.159 4.371 4.527 0.004 0.000 0.298 264 F C 2.427 178.073 175.800 -0.256 0.000 1.104 264 F CA 1.405 59.270 58.000 -0.227 0.000 1.232 264 F CB -0.673 38.313 39.000 -0.022 0.000 0.987 264 F HN 0.210 nan 8.300 nan 0.000 0.475 265 I N -0.061 120.465 120.570 -0.073 0.000 2.099 265 I HA -0.328 3.844 4.170 0.002 0.000 0.239 265 I C 2.531 178.546 176.117 -0.171 0.000 1.066 265 I CA 1.929 63.152 61.300 -0.128 0.000 1.324 265 I CB -0.691 37.210 38.000 -0.164 0.000 1.037 265 I HN 0.157 nan 8.210 nan 0.000 0.401 266 E N 0.714 120.782 120.200 -0.221 0.000 2.284 266 E HA -0.281 4.071 4.350 0.002 0.000 0.200 266 E C 1.742 178.197 176.600 -0.241 0.000 1.008 266 E CA 1.124 57.395 56.400 -0.215 0.000 0.829 266 E CB 0.036 29.601 29.700 -0.225 0.000 0.744 266 E HN 0.501 nan 8.360 nan 0.000 0.491 267 Q N -0.723 118.884 119.800 -0.320 0.000 2.403 267 Q HA 0.062 4.403 4.340 0.002 0.000 0.203 267 Q C 0.986 176.874 176.000 -0.186 0.000 0.932 267 Q CA 0.828 56.453 55.803 -0.297 0.000 0.945 267 Q CB 1.044 29.520 28.738 -0.436 0.000 1.045 267 Q HN 0.500 nan 8.270 nan 0.000 0.511 268 G N 1.290 110.003 108.800 -0.146 0.000 2.130 268 G HA2 -0.226 3.735 3.960 0.002 0.000 0.216 268 G HA3 -0.226 3.735 3.960 0.002 0.000 0.216 268 G C 0.012 174.866 174.900 -0.078 0.000 0.999 268 G CA -0.228 44.816 45.100 -0.094 0.000 0.686 268 G HN 0.299 nan 8.290 nan 0.000 0.515 269 I N 0.893 121.411 120.570 -0.086 0.000 2.321 269 I HA 0.271 4.443 4.170 0.002 0.000 0.291 269 I C -0.360 175.734 176.117 -0.038 0.000 0.998 269 I CA -0.955 60.313 61.300 -0.053 0.000 1.227 269 I CB 1.291 39.266 38.000 -0.043 0.000 1.368 269 I HN -0.081 nan 8.210 nan 0.000 0.466 270 N N 6.870 125.546 118.700 -0.041 0.000 3.034 270 N HA 0.143 4.884 4.740 0.002 0.000 0.265 270 N C -0.107 175.314 175.510 -0.148 0.000 1.166 270 N CA -0.191 52.836 53.050 -0.040 0.000 1.081 270 N CB 0.574 39.086 38.487 0.042 0.000 1.378 270 N HN 0.442 nan 8.380 nan 0.000 0.520 271 V N -0.499 119.322 119.914 -0.154 0.000 3.376 271 V HA 0.402 4.523 4.120 0.002 0.000 0.303 271 V C 1.000 176.944 176.094 -0.251 0.000 1.100 271 V CA -0.997 61.153 62.300 -0.251 0.000 1.126 271 V CB 0.557 32.373 31.823 -0.012 0.000 1.085 271 V HN 0.566 nan 8.190 nan 0.000 0.480 272 C N 3.279 122.406 119.300 -0.288 0.000 2.668 272 C HA 0.984 5.445 4.460 0.002 0.000 0.355 272 C C -0.508 174.256 174.990 -0.377 0.000 1.277 272 C CA -0.753 58.091 59.018 -0.289 0.000 1.787 272 C CB 0.754 28.447 27.740 -0.079 0.000 2.233 272 C HN 1.504 nan 8.230 nan 0.000 0.495 273 L N 0.626 121.551 121.223 -0.496 0.000 2.611 273 L HA 0.645 4.986 4.340 0.002 0.000 0.260 273 L C -1.295 175.461 176.870 -0.191 0.000 0.924 273 L CA 0.030 54.694 54.840 -0.293 0.000 0.901 273 L CB 1.184 43.079 42.059 -0.274 0.000 1.369 273 L HN 1.056 nan 8.230 nan 0.000 0.415 274 C N 3.558 122.845 119.300 -0.022 0.000 2.319 274 C HA 0.765 5.226 4.460 0.002 0.000 0.323 274 C C -0.197 174.800 174.990 0.011 0.000 1.277 274 C CA -0.431 58.651 59.018 0.107 0.000 1.517 274 C CB 1.085 28.955 27.740 0.217 0.000 2.206 274 C HN 0.833 nan 8.230 nan 0.000 0.486 275 Q N 1.194 120.998 119.800 0.007 0.000 2.348 275 Q HA 0.714 5.055 4.340 0.002 0.000 0.271 275 Q C -0.636 175.311 176.000 -0.088 0.000 1.067 275 Q CA -0.227 55.515 55.803 -0.101 0.000 0.839 275 Q CB 2.303 30.964 28.738 -0.128 0.000 1.354 275 Q HN 0.729 nan 8.270 nan 0.000 0.447 276 S N 0.496 116.041 115.700 -0.258 0.000 2.541 276 S HA 0.495 4.966 4.470 0.002 0.000 0.280 276 S C -1.346 173.041 174.600 -0.356 0.000 1.112 276 S CA -0.322 57.756 58.200 -0.204 0.000 0.925 276 S CB 0.648 63.686 63.200 -0.270 0.000 1.067 276 S HN 0.661 nan 8.310 nan 0.000 0.479 277 Y N 1.932 122.171 120.300 -0.103 0.000 2.612 277 Y HA 0.484 5.036 4.550 0.002 0.000 0.250 277 Y C 1.237 177.008 175.900 -0.215 0.000 1.175 277 Y CA 0.025 58.065 58.100 -0.101 0.000 1.205 277 Y CB 0.285 38.700 38.460 -0.076 0.000 1.201 277 Y HN 0.802 nan 8.280 nan 0.000 0.532 281 M N 0.365 120.101 119.600 0.226 0.000 2.340 281 M HA 0.382 4.863 4.480 0.002 0.000 0.345 281 M C 0.646 176.968 176.300 0.036 0.000 1.008 281 M CA 0.840 56.309 55.300 0.283 0.000 0.987 281 M CB 0.593 33.309 32.600 0.192 0.000 1.598 281 M HN 0.323 nan 8.290 nan 0.000 0.569 282 G N 1.549 110.285 108.800 -0.107 0.000 2.187 282 G HA2 -0.270 3.691 3.960 0.002 0.000 0.261 282 G HA3 -0.270 3.691 3.960 0.002 0.000 0.261 282 G C 0.412 175.170 174.900 -0.237 0.000 1.000 282 G CA 0.596 45.586 45.100 -0.183 0.000 0.718 282 G HN 0.532 nan 8.290 nan 0.000 0.519 283 L N -0.792 120.256 121.223 -0.292 0.000 2.599 283 L HA 0.118 4.460 4.340 0.002 0.000 0.230 283 L C 2.398 179.188 176.870 -0.133 0.000 1.141 283 L CA 0.006 54.747 54.840 -0.165 0.000 0.877 283 L CB -0.601 41.380 42.059 -0.131 0.000 1.009 283 L HN 0.371 nan 8.230 nan 0.000 0.447 284 Y N 0.871 121.185 120.300 0.024 0.000 1.516 284 Y HA -0.437 4.114 4.550 0.002 0.000 0.114 284 Y C 2.403 178.310 175.900 0.012 0.000 0.798 284 Y CA 1.840 59.955 58.100 0.025 0.000 0.542 284 Y CB -1.832 36.656 38.460 0.047 0.000 0.569 284 Y HN 0.228 nan 8.280 nan 0.000 0.722 285 G N -0.674 108.244 108.800 0.196 0.000 2.708 285 G HA2 -0.096 3.865 3.960 0.002 0.000 0.210 285 G HA3 -0.096 3.865 3.960 0.002 0.000 0.210 285 G C 1.218 176.136 174.900 0.031 0.000 1.141 285 G CA 0.859 46.016 45.100 0.095 0.000 0.788 285 G HN 0.471 nan 8.290 nan 0.000 0.531 286 E N 0.324 120.526 120.200 0.003 0.000 2.400 286 E HA 0.017 4.368 4.350 0.002 0.000 0.195 286 E C 0.423 176.978 176.600 -0.074 0.000 1.012 286 E CA -0.031 56.341 56.400 -0.046 0.000 0.875 286 E CB 0.235 29.890 29.700 -0.075 0.000 0.859 286 E HN 0.199 nan 8.360 nan 0.000 0.498 287 R N -0.234 120.229 120.500 -0.060 0.000 3.055 287 R HA -0.100 4.241 4.340 0.002 0.000 0.265 287 R C -0.924 175.311 176.300 -0.109 0.000 0.947 287 R CA 0.142 56.202 56.100 -0.067 0.000 0.652 287 R CB -3.046 27.210 30.300 -0.073 0.000 1.367 287 R HN -0.056 nan 8.270 nan 0.000 0.441 288 V N 0.416 120.268 119.914 -0.103 0.000 2.409 288 V HA 0.916 5.037 4.120 0.002 0.000 0.291 288 V C 1.012 177.135 176.094 0.049 0.000 1.020 288 V CA 0.210 62.401 62.300 -0.182 0.000 0.848 288 V CB 2.122 33.743 31.823 -0.336 0.000 0.990 288 V HN 0.750 nan 8.190 nan 0.000 0.430 289 G N 3.020 111.899 108.800 0.131 0.000 2.600 289 G HA2 0.877 4.838 3.960 0.002 0.000 0.293 289 G HA3 0.877 4.838 3.960 0.002 0.000 0.293 289 G C -1.547 173.614 174.900 0.435 0.000 1.408 289 G CA -0.045 45.261 45.100 0.343 0.000 0.782 289 G HN 1.131 nan 8.290 nan 0.000 0.482 290 A N -0.893 122.154 122.820 0.378 0.000 2.549 290 A HA 0.762 5.083 4.320 0.002 0.000 0.297 290 A C -2.014 175.720 177.584 0.250 0.000 1.061 290 A CA -0.570 51.661 52.037 0.323 0.000 0.690 290 A CB 1.783 20.927 19.000 0.240 0.000 1.287 290 A HN 1.617 nan 8.150 nan 0.000 0.402 291 F N 1.285 121.280 119.950 0.076 0.000 2.469 291 F HA 0.758 5.286 4.527 0.002 0.000 0.332 291 F C -0.114 175.678 175.800 -0.014 0.000 1.103 291 F CA -0.020 57.991 58.000 0.018 0.000 0.979 291 F CB 2.150 41.170 39.000 0.035 0.000 1.137 291 F HN 0.472 nan 8.300 nan 0.000 0.463 292 T N 5.480 119.506 114.554 -0.879 0.000 2.881 292 T HA 0.601 4.952 4.350 0.002 0.000 0.290 292 T C -1.266 172.947 174.700 -0.811 0.000 1.000 292 T CA -0.555 61.172 62.100 -0.622 0.000 0.978 292 T CB 1.674 70.341 68.868 -0.335 0.000 0.997 292 T HN 0.370 nan 8.240 nan 0.000 0.443 293 V N 3.249 122.865 119.914 -0.497 0.000 2.555 293 V HA 0.574 4.696 4.120 0.002 0.000 0.302 293 V C -0.299 175.740 176.094 -0.092 0.000 1.038 293 V CA -0.781 61.352 62.300 -0.280 0.000 0.887 293 V CB 2.029 33.738 31.823 -0.190 0.000 0.991 293 V HN 0.673 nan 8.190 nan 0.000 0.434 294 V N 3.825 123.714 119.914 -0.042 0.000 2.398 294 V HA 0.460 4.582 4.120 0.002 0.000 0.286 294 V C -0.005 176.116 176.094 0.046 0.000 1.026 294 V CA -0.184 62.121 62.300 0.007 0.000 0.868 294 V CB 1.391 33.186 31.823 -0.048 0.000 0.982 294 V HN 1.101 nan 8.190 nan 0.000 0.443 295 C N 3.446 122.780 119.300 0.056 0.000 2.803 295 C HA 0.422 4.883 4.460 0.002 0.000 0.389 295 C C 1.919 176.940 174.990 0.051 0.000 1.433 295 C CA -0.856 58.201 59.018 0.066 0.000 1.714 295 C CB 1.584 29.355 27.740 0.051 0.000 2.106 295 C HN 0.966 nan 8.230 nan 0.000 0.480 296 K N 0.455 120.888 120.400 0.054 0.000 2.148 296 K HA -0.082 4.240 4.320 0.002 0.000 0.204 296 K C -0.041 176.573 176.600 0.024 0.000 1.050 296 K CA 2.058 58.368 56.287 0.039 0.000 0.942 296 K CB 0.001 32.528 32.500 0.045 0.000 0.724 296 K HN 0.934 nan 8.250 nan 0.000 0.446 297 D N -3.683 116.728 120.400 0.019 0.000 2.779 297 D HA 0.171 4.813 4.640 0.002 0.000 0.331 297 D C 0.073 176.366 176.300 -0.011 0.000 1.331 297 D CA -0.160 53.843 54.000 0.005 0.000 0.866 297 D CB 0.386 41.188 40.800 0.003 0.000 1.409 297 D HN -0.135 nan 8.370 nan 0.000 0.486 298 A N -0.601 122.204 122.820 -0.026 0.000 1.969 298 A HA -0.140 4.181 4.320 0.002 0.000 0.218 298 A C 1.757 179.306 177.584 -0.057 0.000 1.169 298 A CA 1.698 53.700 52.037 -0.057 0.000 0.635 298 A CB -0.752 18.213 19.000 -0.057 0.000 0.810 298 A HN 0.576 nan 8.150 nan 0.000 0.445 299 E N 0.086 120.266 120.200 -0.033 0.000 2.076 299 E HA -0.188 4.164 4.350 0.002 0.000 0.190 299 E C 1.934 178.521 176.600 -0.023 0.000 0.979 299 E CA 1.221 57.605 56.400 -0.028 0.000 0.807 299 E CB -0.212 29.479 29.700 -0.014 0.000 0.761 299 E HN 0.751 nan 8.360 nan 0.000 0.454 300 E N 0.176 120.371 120.200 -0.009 0.000 2.070 300 E HA -0.219 4.133 4.350 0.002 0.000 0.197 300 E C 1.907 178.498 176.600 -0.016 0.000 1.004 300 E CA 1.435 57.838 56.400 0.006 0.000 0.805 300 E CB -0.146 29.573 29.700 0.032 0.000 0.744 300 E HN 0.271 nan 8.360 nan 0.000 0.451 301 A N 0.815 123.608 122.820 -0.045 0.000 2.019 301 A HA -0.160 4.161 4.320 0.002 0.000 0.219 301 A C 1.974 179.496 177.584 -0.104 0.000 1.164 301 A CA 1.166 53.149 52.037 -0.090 0.000 0.644 301 A CB -0.261 18.649 19.000 -0.149 0.000 0.805 301 A HN 0.068 nan 8.150 nan 0.000 0.449 302 K N 0.024 120.372 120.400 -0.086 0.000 2.057 302 K HA -0.074 4.248 4.320 0.002 0.000 0.206 302 K C 2.139 178.704 176.600 -0.058 0.000 1.050 302 K CA 1.218 57.459 56.287 -0.077 0.000 0.935 302 K CB -0.354 32.109 32.500 -0.061 0.000 0.715 302 K HN 0.522 nan 8.250 nan 0.000 0.439 303 R N 0.543 121.016 120.500 -0.045 0.000 2.082 303 R HA -0.106 4.236 4.340 0.002 0.000 0.234 303 R C 2.429 178.694 176.300 -0.057 0.000 1.136 303 R CA 1.514 57.590 56.100 -0.041 0.000 0.935 303 R CB -0.865 29.419 30.300 -0.026 0.000 0.842 303 R HN -0.062 nan 8.270 nan 0.000 0.430 304 V N 1.472 121.354 119.914 -0.053 0.000 2.250 304 V HA -0.319 3.802 4.120 0.002 0.000 0.250 304 V C 2.396 178.419 176.094 -0.118 0.000 1.060 304 V CA 2.262 64.514 62.300 -0.080 0.000 1.030 304 V CB -0.662 31.099 31.823 -0.103 0.000 0.643 304 V HN 0.455 nan 8.190 nan 0.000 0.445 305 E N 0.626 120.762 120.200 -0.108 0.000 2.130 305 E HA -0.278 4.073 4.350 0.002 0.000 0.196 305 E C 2.287 178.862 176.600 -0.042 0.000 0.998 305 E CA 1.916 58.266 56.400 -0.084 0.000 0.806 305 E CB -0.121 29.523 29.700 -0.092 0.000 0.738 305 E HN 0.801 nan 8.360 nan 0.000 0.459 306 S N 0.041 115.721 115.700 -0.034 0.000 2.387 306 S HA -0.131 4.341 4.470 0.002 0.000 0.226 306 S C 1.922 176.538 174.600 0.027 0.000 1.026 306 S CA 0.636 58.831 58.200 -0.007 0.000 0.972 306 S CB -0.120 63.076 63.200 -0.007 0.000 0.814 306 S HN 0.222 nan 8.310 nan 0.000 0.477 307 Q N 1.239 121.058 119.800 0.031 0.000 2.172 307 Q HA 0.195 4.536 4.340 0.002 0.000 0.200 307 Q C 2.362 178.490 176.000 0.214 0.000 0.964 307 Q CA 0.729 56.609 55.803 0.127 0.000 0.855 307 Q CB -0.605 28.127 28.738 -0.009 0.000 0.918 307 Q HN 0.553 nan 8.270 nan 0.000 0.444 308 L N 0.666 121.966 121.223 0.128 0.000 2.012 308 L HA -0.229 4.112 4.340 0.002 0.000 0.210 308 L C 2.371 179.288 176.870 0.078 0.000 1.073 308 L CA 1.431 56.336 54.840 0.109 0.000 0.748 308 L CB -0.431 41.626 42.059 -0.003 0.000 0.891 308 L HN 0.168 nan 8.230 nan 0.000 0.431 309 K N 0.173 120.595 120.400 0.037 0.000 2.113 309 K HA -0.185 4.136 4.320 0.002 0.000 0.208 309 K C 1.965 178.568 176.600 0.005 0.000 1.047 309 K CA 1.396 57.686 56.287 0.006 0.000 0.928 309 K CB -0.249 32.248 32.500 -0.005 0.000 0.716 309 K HN 0.271 nan 8.250 nan 0.000 0.446 310 I N 0.429 121.029 120.570 0.050 0.000 2.493 310 I HA -0.232 3.940 4.170 0.002 0.000 0.254 310 I C 1.761 177.908 176.117 0.052 0.000 1.160 310 I CA 0.565 61.898 61.300 0.055 0.000 1.445 310 I CB -0.009 38.049 38.000 0.096 0.000 1.086 310 I HN 0.118 nan 8.210 nan 0.000 0.433 311 L N 0.136 121.410 121.223 0.086 0.000 2.162 311 L HA -0.021 4.320 4.340 0.002 0.000 0.205 311 L C 2.297 179.149 176.870 -0.031 0.000 1.086 311 L CA 1.652 56.531 54.840 0.065 0.000 0.778 311 L CB -0.621 41.532 42.059 0.157 0.000 0.928 311 L HN 0.162 nan 8.230 nan 0.000 0.446 312 I N -0.874 119.647 120.570 -0.081 0.000 2.252 312 I HA -0.296 3.875 4.170 0.002 0.000 0.245 312 I C 2.659 178.549 176.117 -0.378 0.000 1.102 312 I CA 0.838 61.973 61.300 -0.274 0.000 1.385 312 I CB -0.261 37.579 38.000 -0.267 0.000 1.064 312 I HN 0.211 nan 8.210 nan 0.000 0.414 313 R N 1.245 121.609 120.500 -0.227 0.000 2.103 313 R HA -0.160 4.182 4.340 0.002 0.000 0.242 313 R C -0.777 175.416 176.300 -0.177 0.000 1.142 313 R CA 1.802 57.777 56.100 -0.208 0.000 0.960 313 R CB -0.934 29.291 30.300 -0.126 0.000 0.858 313 R HN 0.255 nan 8.270 nan 0.000 0.439 314 P HA 0.022 nan 4.420 nan 0.000 0.249 314 P C 0.517 177.772 177.300 -0.074 0.000 1.229 314 P CA 0.694 63.745 63.100 -0.082 0.000 0.788 314 P CB 0.221 31.892 31.700 -0.048 0.000 1.072 315 L N -1.401 119.747 121.223 -0.125 0.000 2.084 315 L HA -0.016 4.326 4.340 0.002 0.000 0.202 315 L C 1.510 178.399 176.870 0.031 0.000 1.074 315 L CA 1.346 56.161 54.840 -0.042 0.000 0.757 315 L CB -0.244 41.820 42.059 0.009 0.000 0.918 315 L HN 0.073 nan 8.230 nan 0.000 0.444 316 Y N -5.782 114.512 120.300 -0.009 0.000 2.957 316 Y HA 0.399 4.950 4.550 0.002 0.000 0.274 316 Y C 1.084 176.970 175.900 -0.024 0.000 1.065 316 Y CA -0.096 57.998 58.100 -0.010 0.000 1.273 316 Y CB -0.208 38.251 38.460 -0.001 0.000 1.358 316 Y HN -0.019 nan 8.280 nan 0.000 0.585 317 S N 0.738 116.292 115.700 -0.244 0.000 1.797 317 S HA -0.371 4.100 4.470 0.002 0.000 0.222 317 S C 0.048 174.531 174.600 -0.195 0.000 0.922 317 S CA 2.310 60.383 58.200 -0.212 0.000 1.575 317 S CB -1.567 61.531 63.200 -0.170 0.000 2.104 317 S HN 0.985 nan 8.310 nan 0.000 0.544 318 N N 0.423 119.121 118.700 -0.003 0.000 2.961 318 N HA 0.642 5.384 4.740 0.002 0.000 0.245 318 N C -3.675 172.049 175.510 0.356 0.000 1.404 318 N CA -1.555 51.572 53.050 0.128 0.000 0.880 318 N CB 1.092 39.597 38.487 0.031 0.000 1.461 318 N HN 0.204 nan 8.380 nan 0.000 0.510 319 P HA 0.471 nan 4.420 nan 0.000 0.283 319 P C -2.725 174.611 177.300 0.060 0.000 1.271 319 P CA -1.469 61.727 63.100 0.160 0.000 0.841 319 P CB 0.213 31.988 31.700 0.124 0.000 1.122 320 P HA 0.159 nan 4.420 nan 0.000 0.271 320 P C 0.837 178.097 177.300 -0.067 0.000 1.216 320 P CA -0.122 62.958 63.100 -0.034 0.000 0.776 320 P CB 1.146 32.807 31.700 -0.065 0.000 0.881 321 L N 2.377 123.569 121.223 -0.051 0.000 2.023 321 L HA -0.179 4.162 4.340 0.002 0.000 0.205 321 L C 2.500 179.304 176.870 -0.110 0.000 1.073 321 L CA 1.583 56.382 54.840 -0.068 0.000 0.745 321 L CB -0.703 41.330 42.059 -0.043 0.000 0.900 321 L HN 0.434 nan 8.230 nan 0.000 0.435 322 N N -0.283 118.358 118.700 -0.098 0.000 2.005 322 N HA -0.225 4.517 4.740 0.002 0.000 0.199 322 N C 1.704 177.123 175.510 -0.152 0.000 1.054 322 N CA 2.152 55.139 53.050 -0.105 0.000 0.864 322 N CB -0.417 38.021 38.487 -0.082 0.000 1.063 322 N HN 0.314 nan 8.380 nan 0.000 0.428 323 G N -0.831 107.862 108.800 -0.179 0.000 2.432 323 G HA2 -0.168 3.794 3.960 0.002 0.000 0.219 323 G HA3 -0.168 3.794 3.960 0.002 0.000 0.219 323 G C 1.454 176.134 174.900 -0.366 0.000 1.135 323 G CA 0.982 45.940 45.100 -0.237 0.000 0.767 323 G HN 0.517 nan 8.290 nan 0.000 0.550 324 A N 0.560 123.130 122.820 -0.415 0.000 1.929 324 A HA 0.098 4.419 4.320 0.002 0.000 0.216 324 A C 2.403 179.783 177.584 -0.339 0.000 1.176 324 A CA 1.389 53.067 52.037 -0.599 0.000 0.628 324 A CB -0.330 18.354 19.000 -0.527 0.000 0.816 324 A HN 0.329 nan 8.150 nan 0.000 0.444 325 R N -0.351 120.021 120.500 -0.213 0.000 2.070 325 R HA -0.094 4.247 4.340 0.002 0.000 0.233 325 R C 2.045 178.258 176.300 -0.146 0.000 1.137 325 R CA 1.770 57.789 56.100 -0.135 0.000 0.945 325 R CB -0.570 29.670 30.300 -0.101 0.000 0.845 325 R HN 0.584 nan 8.270 nan 0.000 0.430 326 I N 0.533 121.002 120.570 -0.168 0.000 2.091 326 I HA -0.340 3.831 4.170 0.002 0.000 0.239 326 I C 2.623 178.609 176.117 -0.217 0.000 1.061 326 I CA 1.667 62.865 61.300 -0.170 0.000 1.317 326 I CB -0.587 37.312 38.000 -0.167 0.000 1.031 326 I HN 0.247 nan 8.210 nan 0.000 0.401 327 A N 0.548 123.186 122.820 -0.302 0.000 1.933 327 A HA -0.107 4.214 4.320 0.002 0.000 0.218 327 A C 2.521 179.967 177.584 -0.231 0.000 1.175 327 A CA 1.813 53.631 52.037 -0.365 0.000 0.628 327 A CB -0.767 17.880 19.000 -0.587 0.000 0.814 327 A HN 0.483 nan 8.150 nan 0.000 0.444 328 A N -0.978 121.773 122.820 -0.115 0.000 1.898 328 A HA -0.057 4.264 4.320 0.002 0.000 0.216 328 A C 2.291 179.829 177.584 -0.077 0.000 1.181 328 A CA 2.218 54.236 52.037 -0.031 0.000 0.620 328 A CB -1.316 17.695 19.000 0.019 0.000 0.819 328 A HN 0.411 nan 8.150 nan 0.000 0.442 329 T N 0.683 115.182 114.554 -0.092 0.000 2.597 329 T HA -0.212 4.140 4.350 0.002 0.000 0.267 329 T C 1.803 176.448 174.700 -0.091 0.000 1.053 329 T CA 1.925 63.977 62.100 -0.079 0.000 1.165 329 T CB -0.523 68.299 68.868 -0.078 0.000 0.863 329 T HN 0.432 nan 8.240 nan 0.000 0.427 330 I N 0.615 121.097 120.570 -0.146 0.000 2.179 330 I HA -0.140 4.031 4.170 0.002 0.000 0.242 330 I C 2.278 178.311 176.117 -0.141 0.000 1.088 330 I CA 1.309 62.513 61.300 -0.160 0.000 1.357 330 I CB -0.423 37.397 38.000 -0.300 0.000 1.051 330 I HN 0.192 nan 8.210 nan 0.000 0.409 331 L N 0.186 121.299 121.223 -0.184 0.000 2.275 331 L HA -0.154 4.187 4.340 0.002 0.000 0.215 331 L C 2.636 179.478 176.870 -0.046 0.000 1.119 331 L CA 1.635 56.399 54.840 -0.127 0.000 0.790 331 L CB -0.925 41.049 42.059 -0.142 0.000 0.919 331 L HN 0.487 nan 8.230 nan 0.000 0.443 332 T N -4.952 109.574 114.554 -0.047 0.000 2.953 332 T HA -0.048 4.304 4.350 0.002 0.000 0.247 332 T C 1.297 175.990 174.700 -0.011 0.000 1.029 332 T CA 0.355 62.441 62.100 -0.025 0.000 1.144 332 T CB -0.236 68.616 68.868 -0.027 0.000 0.870 332 T HN 0.122 nan 8.240 nan 0.000 0.446 333 S N 4.462 120.154 115.700 -0.014 0.000 2.560 333 S HA 0.170 4.642 4.470 0.002 0.000 0.323 333 S C -1.484 173.125 174.600 0.016 0.000 1.191 333 S CA -1.201 56.998 58.200 -0.001 0.000 1.231 333 S CB 0.400 63.597 63.200 -0.006 0.000 1.224 333 S HN 0.301 nan 8.310 nan 0.000 0.545 334 P HA 0.068 nan 4.420 nan 0.000 0.249 334 P C 0.547 177.874 177.300 0.045 0.000 1.229 334 P CA 0.452 63.573 63.100 0.036 0.000 0.788 334 P CB 0.032 31.747 31.700 0.026 0.000 1.072 335 D N -0.272 120.150 120.400 0.037 0.000 2.162 335 D HA -0.112 4.529 4.640 0.002 0.000 0.205 335 D C 2.011 178.345 176.300 0.057 0.000 0.964 335 D CA 0.540 54.564 54.000 0.041 0.000 0.847 335 D CB -1.223 39.593 40.800 0.028 0.000 0.988 335 D HN 0.046 nan 8.370 nan 0.000 0.480 336 L N -0.149 121.107 121.223 0.054 0.000 2.079 336 L HA -0.085 4.256 4.340 0.002 0.000 0.210 336 L C 2.772 179.727 176.870 0.141 0.000 1.081 336 L CA 1.041 55.926 54.840 0.074 0.000 0.752 336 L CB -0.343 41.737 42.059 0.034 0.000 0.896 336 L HN 0.084 nan 8.230 nan 0.000 0.433 337 R N -0.004 120.578 120.500 0.137 0.000 2.328 337 R HA -0.156 4.185 4.340 0.002 0.000 0.207 337 R C 2.136 178.572 176.300 0.225 0.000 1.056 337 R CA 0.749 56.994 56.100 0.242 0.000 1.016 337 R CB 0.077 30.479 30.300 0.171 0.000 0.872 337 R HN 0.251 nan 8.270 nan 0.000 0.471 338 K N 0.181 120.665 120.400 0.139 0.000 2.141 338 K HA -0.093 4.228 4.320 0.002 0.000 0.202 338 K C 1.704 178.349 176.600 0.076 0.000 1.045 338 K CA 0.679 57.016 56.287 0.083 0.000 0.971 338 K CB 0.083 32.616 32.500 0.056 0.000 0.795 338 K HN 0.175 nan 8.250 nan 0.000 0.459 339 Q N 0.032 119.892 119.800 0.101 0.000 1.856 339 Q HA -0.217 4.125 4.340 0.002 0.000 0.228 339 Q C 1.847 177.918 176.000 0.117 0.000 0.987 339 Q CA 2.295 58.153 55.803 0.092 0.000 0.873 339 Q CB -0.602 28.194 28.738 0.097 0.000 0.928 339 Q HN 0.363 nan 8.270 nan 0.000 0.425 340 W N 0.967 122.269 121.300 0.002 0.000 2.238 340 W HA -0.344 4.317 4.660 0.002 0.000 0.346 340 W C 1.701 178.226 176.519 0.009 0.000 1.418 340 W CA 2.163 59.509 57.345 0.002 0.000 1.403 340 W CB -0.961 28.503 29.460 0.007 0.000 1.083 340 W HN 0.450 nan 8.180 nan 0.000 0.474 341 L N 0.339 121.418 121.223 -0.241 0.000 2.447 341 L HA -0.200 4.141 4.340 0.002 0.000 0.225 341 L C 2.147 178.805 176.870 -0.354 0.000 1.148 341 L CA 2.198 56.722 54.840 -0.526 0.000 0.808 341 L CB -0.941 40.977 42.059 -0.235 0.000 0.928 341 L HN 0.229 nan 8.230 nan 0.000 0.448 342 Q N -1.881 117.796 119.800 -0.204 0.000 2.422 342 Q HA 0.060 4.402 4.340 0.002 0.000 0.255 342 Q C 1.920 177.860 176.000 -0.100 0.000 0.864 342 Q CA 0.276 56.002 55.803 -0.128 0.000 0.968 342 Q CB 0.271 28.972 28.738 -0.062 0.000 1.130 342 Q HN 0.372 nan 8.270 nan 0.000 0.556 343 E N -0.163 119.995 120.200 -0.071 0.000 2.136 343 E HA -0.220 4.131 4.350 0.002 0.000 0.202 343 E C 1.673 178.218 176.600 -0.092 0.000 1.019 343 E CA 1.717 58.104 56.400 -0.021 0.000 0.819 343 E CB -0.008 29.704 29.700 0.021 0.000 0.739 343 E HN 0.142 nan 8.360 nan 0.000 0.458 344 V N 1.045 120.808 119.914 -0.253 0.000 2.453 344 V HA -0.215 3.906 4.120 0.002 0.000 0.247 344 V C 2.302 178.260 176.094 -0.227 0.000 1.048 344 V CA 1.735 63.862 62.300 -0.290 0.000 1.049 344 V CB -0.332 31.168 31.823 -0.538 0.000 0.672 344 V HN 0.126 nan 8.190 nan 0.000 0.457 345 K N 1.185 121.465 120.400 -0.201 0.000 2.103 345 K HA -0.129 4.193 4.320 0.002 0.000 0.207 345 K C 1.666 178.190 176.600 -0.126 0.000 1.048 345 K CA 1.709 57.907 56.287 -0.149 0.000 0.930 345 K CB -0.622 31.808 32.500 -0.116 0.000 0.716 345 K HN 0.465 nan 8.250 nan 0.000 0.444 346 G N -0.979 107.759 108.800 -0.104 0.000 3.434 346 G HA2 0.109 4.070 3.960 0.002 0.000 0.258 346 G HA3 0.109 4.070 3.960 0.002 0.000 0.258 346 G C 0.896 175.743 174.900 -0.087 0.000 1.128 346 G CA -0.290 44.764 45.100 -0.076 0.000 0.792 346 G HN 0.179 nan 8.290 nan 0.000 0.539 347 M N 0.014 119.510 119.600 -0.172 0.000 2.557 347 M HA 0.209 4.690 4.480 0.002 0.000 0.262 347 M C 2.773 178.905 176.300 -0.280 0.000 1.168 347 M CA 0.825 55.936 55.300 -0.316 0.000 1.194 347 M CB 0.293 32.555 32.600 -0.564 0.000 1.311 347 M HN 0.235 nan 8.290 nan 0.000 0.489 348 A N 0.234 122.855 122.820 -0.333 0.000 2.067 348 A HA -0.143 4.178 4.320 0.002 0.000 0.219 348 A C 1.496 178.975 177.584 -0.175 0.000 1.158 348 A CA 1.646 53.489 52.037 -0.323 0.000 0.661 348 A CB -0.472 18.373 19.000 -0.258 0.000 0.801 348 A HN 0.362 nan 8.150 nan 0.000 0.452 349 D N -0.955 119.372 120.400 -0.123 0.000 2.201 349 D HA -0.026 4.616 4.640 0.002 0.000 0.209 349 D C 2.081 178.348 176.300 -0.054 0.000 0.961 349 D CA 0.582 54.535 54.000 -0.079 0.000 0.861 349 D CB -0.302 40.459 40.800 -0.066 0.000 0.997 349 D HN 0.387 nan 8.370 nan 0.000 0.486 350 R N 0.711 121.194 120.500 -0.030 0.000 2.115 350 R HA -0.170 4.171 4.340 0.002 0.000 0.239 350 R C 2.149 178.432 176.300 -0.028 0.000 1.133 350 R CA 1.248 57.344 56.100 -0.008 0.000 0.935 350 R CB -0.266 30.066 30.300 0.053 0.000 0.853 350 R HN 0.095 nan 8.270 nan 0.000 0.433 351 I N 1.244 121.799 120.570 -0.026 0.000 2.113 351 I HA -0.331 3.840 4.170 0.002 0.000 0.242 351 I C 2.464 178.544 176.117 -0.063 0.000 1.064 351 I CA 1.578 62.840 61.300 -0.063 0.000 1.320 351 I CB -1.168 36.769 38.000 -0.105 0.000 1.028 351 I HN 0.321 nan 8.210 nan 0.000 0.406 352 I N 0.917 121.447 120.570 -0.066 0.000 2.361 352 I HA -0.271 3.901 4.170 0.002 0.000 0.251 352 I C 2.615 178.706 176.117 -0.043 0.000 1.133 352 I CA 1.749 63.019 61.300 -0.051 0.000 1.413 352 I CB -0.417 37.553 38.000 -0.050 0.000 1.073 352 I HN 0.347 nan 8.210 nan 0.000 0.424 353 S N 0.427 116.102 115.700 -0.043 0.000 2.470 353 S HA -0.040 4.431 4.470 0.002 0.000 0.225 353 S C 1.991 176.566 174.600 -0.041 0.000 1.006 353 S CA 0.243 58.420 58.200 -0.039 0.000 0.934 353 S CB -0.023 63.156 63.200 -0.036 0.000 0.778 353 S HN 0.235 nan 8.310 nan 0.000 0.517 354 M N 1.774 121.346 119.600 -0.047 0.000 2.175 354 M HA 0.073 4.554 4.480 0.002 0.000 0.264 354 M C 2.295 178.564 176.300 -0.052 0.000 1.063 354 M CA 1.218 56.487 55.300 -0.052 0.000 1.119 354 M CB -1.162 31.402 32.600 -0.059 0.000 1.377 354 M HN 0.416 nan 8.290 nan 0.000 0.415 355 R N -0.761 119.711 120.500 -0.046 0.000 2.148 355 R HA -0.047 4.295 4.340 0.002 0.000 0.227 355 R C 2.210 178.483 176.300 -0.045 0.000 1.103 355 R CA 1.367 57.441 56.100 -0.043 0.000 0.983 355 R CB -0.479 29.806 30.300 -0.025 0.000 0.874 355 R HN 0.339 nan 8.270 nan 0.000 0.451 356 T N 0.858 115.388 114.554 -0.039 0.000 2.814 356 T HA -0.070 4.281 4.350 0.002 0.000 0.254 356 T C 1.724 176.399 174.700 -0.040 0.000 1.037 356 T CA 0.877 62.957 62.100 -0.034 0.000 1.143 356 T CB 0.055 68.906 68.868 -0.028 0.000 0.866 356 T HN 0.252 nan 8.240 nan 0.000 0.431 357 Q N 0.233 120.007 119.800 -0.044 0.000 2.364 357 Q HA -0.025 4.316 4.340 0.002 0.000 0.209 357 Q C 2.079 178.040 176.000 -0.065 0.000 0.977 357 Q CA 0.719 56.494 55.803 -0.047 0.000 0.885 357 Q CB -0.136 28.577 28.738 -0.041 0.000 0.941 357 Q HN 0.312 nan 8.270 nan 0.000 0.464 358 L N -0.578 120.597 121.223 -0.081 0.000 2.084 358 L HA -0.077 4.265 4.340 0.002 0.000 0.202 358 L C 2.032 178.810 176.870 -0.153 0.000 1.074 358 L CA 1.192 55.957 54.840 -0.125 0.000 0.757 358 L CB -0.380 41.594 42.059 -0.140 0.000 0.918 358 L HN -0.094 nan 8.230 nan 0.000 0.444 359 V N -0.476 119.372 119.914 -0.109 0.000 2.568 359 V HA -0.271 3.850 4.120 0.002 0.000 0.253 359 V C 2.771 178.836 176.094 -0.049 0.000 1.072 359 V CA 1.643 63.902 62.300 -0.068 0.000 1.084 359 V CB -1.092 30.730 31.823 -0.001 0.000 0.676 359 V HN 0.674 nan 8.190 nan 0.000 0.469 360 S N 0.994 116.663 115.700 -0.051 0.000 2.349 360 S HA -0.283 4.189 4.470 0.002 0.000 0.216 360 S C 1.837 176.403 174.600 -0.056 0.000 1.033 360 S CA 2.226 60.402 58.200 -0.040 0.000 1.021 360 S CB -0.765 62.413 63.200 -0.036 0.000 0.968 360 S HN 0.713 nan 8.310 nan 0.000 0.426 361 N N 0.737 119.393 118.700 -0.073 0.000 2.184 361 N HA -0.109 4.633 4.740 0.002 0.000 0.190 361 N C 1.717 177.158 175.510 -0.115 0.000 1.011 361 N CA 1.500 54.500 53.050 -0.082 0.000 0.867 361 N CB -0.391 38.048 38.487 -0.080 0.000 0.993 361 N HN 0.389 nan 8.380 nan 0.000 0.433 362 L N 0.597 121.723 121.223 -0.161 0.000 2.376 362 L HA -0.075 4.267 4.340 0.002 0.000 0.219 362 L C 2.291 179.104 176.870 -0.096 0.000 1.133 362 L CA 0.802 55.521 54.840 -0.201 0.000 0.816 362 L CB -0.041 41.753 42.059 -0.442 0.000 0.933 362 L HN 0.129 nan 8.230 nan 0.000 0.449 363 K N -0.107 120.263 120.400 -0.050 0.000 2.078 363 K HA -0.050 4.271 4.320 0.002 0.000 0.203 363 K C 2.053 178.622 176.600 -0.051 0.000 1.043 363 K CA 0.481 56.760 56.287 -0.012 0.000 0.960 363 K CB 0.177 32.686 32.500 0.015 0.000 0.761 363 K HN 0.073 nan 8.250 nan 0.000 0.448 364 K N 0.898 121.265 120.400 -0.055 0.000 2.077 364 K HA -0.210 4.111 4.320 0.002 0.000 0.213 364 K C 1.803 178.347 176.600 -0.094 0.000 1.051 364 K CA 1.517 57.768 56.287 -0.060 0.000 0.929 364 K CB -0.007 32.462 32.500 -0.053 0.000 0.715 364 K HN 0.156 nan 8.250 nan 0.000 0.451 365 E N -1.052 119.059 120.200 -0.147 0.000 2.338 365 E HA -0.093 4.259 4.350 0.002 0.000 0.197 365 E C 1.173 177.532 176.600 -0.402 0.000 1.007 365 E CA 1.089 57.355 56.400 -0.224 0.000 0.849 365 E CB 0.456 30.019 29.700 -0.228 0.000 0.774 365 E HN 0.605 nan 8.360 nan 0.000 0.506 366 G N 1.192 109.789 108.800 -0.338 0.000 2.183 366 G HA2 -0.206 3.756 3.960 0.002 0.000 0.168 366 G HA3 -0.206 3.756 3.960 0.002 0.000 0.168 366 G C 0.293 175.076 174.900 -0.194 0.000 1.008 366 G CA 0.319 45.278 45.100 -0.235 0.000 0.677 366 G HN 0.228 nan 8.290 nan 0.000 0.498 367 S N 0.516 116.096 115.700 -0.199 0.000 2.564 367 S HA 0.533 5.004 4.470 0.002 0.000 0.278 367 S C 1.498 176.186 174.600 0.146 0.000 1.333 367 S CA 0.966 59.243 58.200 0.129 0.000 1.048 367 S CB 1.085 64.549 63.200 0.439 0.000 0.900 367 S HN 1.490 nan 8.310 nan 0.000 0.505 368 S N 3.189 118.940 115.700 0.085 0.000 2.575 368 S HA 0.295 4.766 4.470 0.002 0.000 0.237 368 S C -0.082 174.451 174.600 -0.113 0.000 0.975 368 S CA -0.464 57.718 58.200 -0.030 0.000 0.960 368 S CB -0.358 62.789 63.200 -0.088 0.000 0.822 368 S HN 0.821 nan 8.310 nan 0.000 0.472 369 H N 1.722 120.820 119.070 0.047 0.000 2.472 369 H HA 0.438 4.996 4.556 0.002 0.000 0.335 369 H C -0.086 175.040 175.328 -0.338 0.000 1.136 369 H CA -0.786 55.116 56.048 -0.243 0.000 1.264 369 H CB 0.711 30.157 29.762 -0.526 0.000 1.486 369 H HN 0.160 nan 8.280 nan 0.000 0.517 370 N N 2.758 121.361 118.700 -0.163 0.000 2.399 370 N HA -0.060 4.682 4.740 0.002 0.000 0.259 370 N C -0.726 174.694 175.510 -0.150 0.000 1.160 370 N CA 0.094 53.086 53.050 -0.096 0.000 0.946 370 N CB 0.177 38.639 38.487 -0.041 0.000 1.156 370 N HN 0.611 nan 8.380 nan 0.000 0.489 371 W N 1.955 123.329 121.300 0.125 0.000 3.102 371 W HA 0.148 4.809 4.660 0.003 0.000 0.401 371 W C 1.837 178.253 176.519 -0.170 0.000 1.070 371 W CA -0.463 56.877 57.345 -0.009 0.000 1.921 371 W CB 0.385 29.824 29.460 -0.035 0.000 1.118 371 W HN 0.635 nan 8.180 nan 0.000 0.647 372 Q N 0.348 120.241 119.800 0.155 0.000 2.167 372 Q HA -0.266 4.076 4.340 0.002 0.000 0.202 372 Q C 2.074 178.115 176.000 0.069 0.000 0.970 372 Q CA 1.887 57.747 55.803 0.095 0.000 0.855 372 Q CB -1.045 27.750 28.738 0.096 0.000 0.911 372 Q HN 0.479 nan 8.270 nan 0.000 0.438 373 H N 1.052 120.193 119.070 0.118 0.000 2.437 373 H HA -0.177 4.380 4.556 0.002 0.000 0.296 373 H C 1.810 177.235 175.328 0.161 0.000 1.121 373 H CA 1.620 57.746 56.048 0.129 0.000 1.255 373 H CB -0.688 29.154 29.762 0.133 0.000 1.366 373 H HN 0.400 nan 8.280 nan 0.000 0.512 374 I N 1.770 122.176 120.570 -0.273 0.000 2.394 374 I HA -0.196 3.975 4.170 0.002 0.000 0.251 374 I C 2.385 178.498 176.117 -0.007 0.000 1.136 374 I CA 1.822 63.060 61.300 -0.103 0.000 1.425 374 I CB -0.208 37.711 38.000 -0.136 0.000 1.079 374 I HN 0.466 nan 8.210 nan 0.000 0.425 375 T N -3.643 110.911 114.554 -0.000 0.000 3.044 375 T HA 0.014 4.366 4.350 0.002 0.000 0.255 375 T C 1.408 176.130 174.700 0.035 0.000 1.073 375 T CA 0.276 62.385 62.100 0.014 0.000 1.125 375 T CB -0.203 68.668 68.868 0.006 0.000 0.908 375 T HN 0.086 nan 8.240 nan 0.000 0.480 376 D N 1.798 122.233 120.400 0.057 0.000 2.178 376 D HA 0.003 4.645 4.640 0.002 0.000 0.201 376 D C 1.167 177.517 176.300 0.083 0.000 0.980 376 D CA 0.884 54.925 54.000 0.068 0.000 0.842 376 D CB -0.251 40.603 40.800 0.091 0.000 0.948 376 D HN 0.558 nan 8.370 nan 0.000 0.472 377 Q N -0.396 119.470 119.800 0.110 0.000 2.443 377 Q HA 0.432 4.773 4.340 0.002 0.000 0.232 377 Q C -0.383 175.674 176.000 0.096 0.000 1.026 377 Q CA -0.043 55.840 55.803 0.133 0.000 0.924 377 Q CB 1.217 30.066 28.738 0.184 0.000 1.256 377 Q HN 0.075 nan 8.270 nan 0.000 0.519 378 I N 0.386 121.020 120.570 0.106 0.000 2.545 378 I HA 0.636 4.808 4.170 0.002 0.000 0.292 378 I C 0.184 176.340 176.117 0.065 0.000 1.040 378 I CA 0.124 61.472 61.300 0.079 0.000 1.068 378 I CB 2.086 40.145 38.000 0.099 0.000 1.251 378 I HN 0.767 nan 8.210 nan 0.000 0.424 379 G N 4.757 113.565 108.800 0.013 0.000 2.422 379 G HA2 -0.132 3.829 3.960 0.002 0.000 0.607 379 G HA3 -0.132 3.829 3.960 0.002 0.000 0.607 379 G C 0.148 174.998 174.900 -0.084 0.000 1.270 379 G CA -0.170 44.908 45.100 -0.036 0.000 0.992 379 G HN 0.822 nan 8.290 nan 0.000 0.499 380 M N -1.172 118.319 119.600 -0.181 0.000 2.595 380 M HA 0.540 5.021 4.480 0.002 0.000 0.248 380 M C -0.093 175.832 176.300 -0.624 0.000 1.119 380 M CA 0.711 55.807 55.300 -0.340 0.000 1.079 380 M CB 0.044 32.494 32.600 -0.251 0.000 1.472 380 M HN 0.229 nan 8.290 nan 0.000 0.501 381 F N 0.790 120.764 119.950 0.040 0.000 2.436 381 F HA 0.494 5.022 4.527 0.002 0.000 0.340 381 F C -0.237 175.648 175.800 0.143 0.000 1.113 381 F CA -1.502 56.555 58.000 0.095 0.000 1.022 381 F CB 1.380 40.442 39.000 0.105 0.000 1.128 381 F HN 0.014 nan 8.300 nan 0.000 0.466 382 C N 5.386 124.903 119.300 0.363 0.000 2.316 382 C HA 0.550 5.011 4.460 0.002 0.000 0.324 382 C C -0.614 174.643 174.990 0.445 0.000 1.226 382 C CA -0.999 58.218 59.018 0.331 0.000 1.450 382 C CB -1.163 26.700 27.740 0.205 0.000 2.123 382 C HN 0.632 nan 8.230 nan 0.000 0.454 383 F N 5.439 125.507 119.950 0.196 0.000 2.490 383 F HA 0.202 4.730 4.527 0.003 0.000 0.357 383 F C 2.052 178.029 175.800 0.295 0.000 1.166 383 F CA 0.469 58.564 58.000 0.157 0.000 1.116 383 F CB 0.999 40.001 39.000 0.003 0.000 1.171 383 F HN 0.800 nan 8.300 nan 0.000 0.576 384 T N -0.279 114.451 114.554 0.294 0.000 2.951 384 T HA 0.154 4.505 4.350 0.002 0.000 0.268 384 T C 1.790 176.744 174.700 0.424 0.000 1.073 384 T CA 0.873 63.215 62.100 0.404 0.000 1.134 384 T CB -0.257 68.761 68.868 0.250 0.000 0.884 384 T HN 0.935 nan 8.240 nan 0.000 0.479 385 G N 1.015 109.917 108.800 0.171 0.000 2.194 385 G HA2 -0.184 3.777 3.960 0.002 0.000 0.236 385 G HA3 -0.184 3.777 3.960 0.002 0.000 0.236 385 G C 0.000 174.911 174.900 0.018 0.000 0.987 385 G CA -0.043 45.094 45.100 0.062 0.000 0.635 385 G HN 0.641 nan 8.290 nan 0.000 0.520 386 L N 0.846 122.105 121.223 0.060 0.000 2.485 386 L HA 0.304 4.645 4.340 0.002 0.000 0.275 386 L C 1.095 177.945 176.870 -0.033 0.000 1.207 386 L CA 0.330 55.184 54.840 0.024 0.000 0.855 386 L CB 0.457 42.535 42.059 0.031 0.000 1.114 386 L HN 0.121 nan 8.230 nan 0.000 0.485 387 K N 3.670 124.055 120.400 -0.026 0.000 2.090 387 K HA 0.243 4.565 4.320 0.002 0.000 0.249 387 K C -1.589 174.993 176.600 -0.029 0.000 0.995 387 K CA -1.531 54.737 56.287 -0.031 0.000 0.914 387 K CB 1.069 33.556 32.500 -0.022 0.000 1.057 387 K HN 0.192 nan 8.250 nan 0.000 0.462 388 P HA -0.196 nan 4.420 nan 0.000 0.216 388 P C 0.123 177.415 177.300 -0.015 0.000 1.150 388 P CA 1.427 64.513 63.100 -0.024 0.000 0.843 388 P CB 0.278 31.968 31.700 -0.016 0.000 0.787 389 E N -0.331 119.863 120.200 -0.010 0.000 2.077 389 E HA -0.205 4.146 4.350 0.002 0.000 0.193 389 E C 2.110 178.708 176.600 -0.003 0.000 0.989 389 E CA 1.238 57.636 56.400 -0.004 0.000 0.800 389 E CB -0.931 28.768 29.700 -0.002 0.000 0.746 389 E HN 0.409 nan 8.360 nan 0.000 0.452 390 Q N 0.223 120.020 119.800 -0.005 0.000 2.167 390 Q HA -0.083 4.259 4.340 0.002 0.000 0.202 390 Q C 2.248 178.243 176.000 -0.009 0.000 0.970 390 Q CA 1.249 57.051 55.803 -0.002 0.000 0.855 390 Q CB -0.012 28.727 28.738 0.001 0.000 0.911 390 Q HN 0.164 nan 8.270 nan 0.000 0.438 391 V N 0.933 120.836 119.914 -0.017 0.000 2.358 391 V HA -0.258 3.864 4.120 0.002 0.000 0.246 391 V C 1.927 178.008 176.094 -0.022 0.000 1.047 391 V CA 1.894 64.179 62.300 -0.024 0.000 1.035 391 V CB -0.554 31.251 31.823 -0.029 0.000 0.658 391 V HN 0.316 nan 8.190 nan 0.000 0.452 392 E N 0.228 120.420 120.200 -0.014 0.000 2.048 392 E HA -0.277 4.075 4.350 0.002 0.000 0.202 392 E C 2.490 179.084 176.600 -0.011 0.000 1.021 392 E CA 1.991 58.384 56.400 -0.012 0.000 0.825 392 E CB -0.208 29.489 29.700 -0.005 0.000 0.756 392 E HN 0.479 nan 8.360 nan 0.000 0.454 393 R N -0.028 120.477 120.500 0.008 0.000 2.105 393 R HA -0.156 4.186 4.340 0.002 0.000 0.239 393 R C 2.507 178.870 176.300 0.105 0.000 1.135 393 R CA 1.105 57.230 56.100 0.041 0.000 0.967 393 R CB -0.383 29.954 30.300 0.062 0.000 0.861 393 R HN 0.245 nan 8.270 nan 0.000 0.442 394 L N -0.203 121.062 121.223 0.070 0.000 2.131 394 L HA -0.163 4.178 4.340 0.002 0.000 0.210 394 L C 2.254 179.139 176.870 0.025 0.000 1.092 394 L CA 1.272 56.167 54.840 0.091 0.000 0.759 394 L CB -0.463 41.575 42.059 -0.035 0.000 0.903 394 L HN 0.218 nan 8.230 nan 0.000 0.435 395 T N -0.595 113.899 114.554 -0.100 0.000 2.668 395 T HA -0.135 4.217 4.350 0.002 0.000 0.258 395 T C 1.891 176.474 174.700 -0.196 0.000 1.051 395 T CA 1.042 62.953 62.100 -0.315 0.000 1.155 395 T CB -0.034 68.644 68.868 -0.317 0.000 0.864 395 T HN 0.224 nan 8.240 nan 0.000 0.413 396 K N 0.884 121.229 120.400 -0.092 0.000 2.097 396 K HA -0.068 4.254 4.320 0.002 0.000 0.206 396 K C 2.269 178.827 176.600 -0.069 0.000 1.049 396 K CA 1.256 57.509 56.287 -0.056 0.000 0.933 396 K CB -0.022 32.458 32.500 -0.033 0.000 0.717 396 K HN 0.447 nan 8.250 nan 0.000 0.442 397 E N -1.192 118.957 120.200 -0.084 0.000 2.307 397 E HA 0.036 4.388 4.350 0.002 0.000 0.195 397 E C 1.037 177.344 176.600 -0.487 0.000 0.975 397 E CA 0.494 56.723 56.400 -0.284 0.000 0.878 397 E CB 0.341 29.808 29.700 -0.389 0.000 0.845 397 E HN 0.206 nan 8.360 nan 0.000 0.488 398 F N -1.017 118.929 119.950 -0.007 0.000 2.778 398 F HA 0.270 4.798 4.527 0.002 0.000 0.314 398 F C 0.970 176.881 175.800 0.186 0.000 1.073 398 F CA -0.147 57.904 58.000 0.087 0.000 1.218 398 F CB 1.112 40.069 39.000 -0.072 0.000 1.037 398 F HN -0.296 nan 8.300 nan 0.000 0.594 399 S N 0.245 116.057 115.700 0.187 0.000 3.149 399 S HA -0.113 4.358 4.470 0.002 0.000 0.276 399 S C -0.272 174.420 174.600 0.153 0.000 1.312 399 S CA 0.069 58.332 58.200 0.106 0.000 0.994 399 S CB -1.545 61.812 63.200 0.261 0.000 1.217 399 S HN -0.016 nan 8.310 nan 0.000 0.681 400 V N 2.817 122.789 119.914 0.097 0.000 2.389 400 V HA 0.333 4.454 4.120 0.002 0.000 0.264 400 V C -0.026 176.052 176.094 -0.027 0.000 1.049 400 V CA 0.019 62.398 62.300 0.130 0.000 0.932 400 V CB -0.033 31.845 31.823 0.091 0.000 1.011 400 V HN 0.394 nan 8.190 nan 0.000 0.475 401 Y N 6.543 126.932 120.300 0.148 0.000 2.341 401 Y HA 0.708 5.259 4.550 0.002 0.000 0.340 401 Y C 0.364 176.294 175.900 0.049 0.000 0.997 401 Y CA -0.416 57.753 58.100 0.114 0.000 1.149 401 Y CB 1.383 39.945 38.460 0.171 0.000 1.171 401 Y HN 0.739 nan 8.280 nan 0.000 0.494 402 M N 0.775 120.462 119.600 0.145 0.000 2.682 402 M HA 0.573 5.054 4.480 0.002 0.000 0.272 402 M C -1.025 175.314 176.300 0.065 0.000 1.232 402 M CA -0.961 54.394 55.300 0.091 0.000 0.849 402 M CB 2.018 34.649 32.600 0.051 0.000 1.695 402 M HN 0.459 nan 8.290 nan 0.000 0.481 403 T N -0.880 113.701 114.554 0.046 0.000 2.868 403 T HA 0.338 4.689 4.350 0.002 0.000 0.292 403 T C 0.822 175.511 174.700 -0.019 0.000 1.028 403 T CA -0.630 61.484 62.100 0.023 0.000 1.059 403 T CB 0.925 69.806 68.868 0.022 0.000 0.991 403 T HN 0.739 nan 8.240 nan 0.000 0.531 404 K N 1.032 121.422 120.400 -0.017 0.000 2.211 404 K HA -0.110 4.211 4.320 0.002 0.000 0.204 404 K C 1.601 178.153 176.600 -0.080 0.000 1.047 404 K CA 1.430 57.696 56.287 -0.034 0.000 0.935 404 K CB -0.587 31.904 32.500 -0.016 0.000 0.728 404 K HN 0.891 nan 8.250 nan 0.000 0.452 405 D N -0.837 119.496 120.400 -0.113 0.000 2.378 405 D HA -0.024 4.617 4.640 0.002 0.000 0.227 405 D C 1.040 177.035 176.300 -0.509 0.000 1.012 405 D CA 0.869 54.728 54.000 -0.235 0.000 0.905 405 D CB -0.293 40.420 40.800 -0.145 0.000 0.895 405 D HN 0.215 nan 8.370 nan 0.000 0.532 406 G N 0.582 109.190 108.800 -0.321 0.000 2.148 406 G HA2 -0.358 3.604 3.960 0.002 0.000 0.254 406 G HA3 -0.358 3.604 3.960 0.002 0.000 0.254 406 G C 0.230 174.954 174.900 -0.292 0.000 0.981 406 G CA 0.052 44.982 45.100 -0.284 0.000 0.670 406 G HN 0.613 nan 8.290 nan 0.000 0.528 407 R N 0.915 121.248 120.500 -0.278 0.000 2.347 407 R HA 0.492 4.833 4.340 0.002 0.000 0.304 407 R C 0.943 177.311 176.300 0.113 0.000 1.072 407 R CA -0.219 55.893 56.100 0.020 0.000 0.980 407 R CB 0.020 30.430 30.300 0.184 0.000 0.986 407 R HN 0.632 nan 8.270 nan 0.000 0.448 408 I N 0.705 121.383 120.570 0.180 0.000 2.460 408 I HA 0.302 4.473 4.170 0.002 0.000 0.298 408 I C -0.212 176.050 176.117 0.243 0.000 0.989 408 I CA -0.689 60.708 61.300 0.163 0.000 1.173 408 I CB 2.084 40.134 38.000 0.084 0.000 1.338 408 I HN 0.427 nan 8.210 nan 0.000 0.456 409 S N 4.116 119.941 115.700 0.210 0.000 2.405 409 S HA 0.205 4.676 4.470 0.002 0.000 0.291 409 S C 1.001 175.587 174.600 -0.024 0.000 1.137 409 S CA -0.634 57.635 58.200 0.115 0.000 1.061 409 S CB 0.534 63.813 63.200 0.132 0.000 1.001 409 S HN 0.555 nan 8.310 nan 0.000 0.507 410 V N 5.426 125.295 119.914 -0.075 0.000 2.828 410 V HA -0.179 3.943 4.120 0.002 0.000 0.260 410 V C 2.432 178.456 176.094 -0.117 0.000 1.101 410 V CA 2.003 64.256 62.300 -0.079 0.000 1.123 410 V CB -1.196 30.581 31.823 -0.076 0.000 0.704 410 V HN 0.944 nan 8.190 nan 0.000 0.493 411 A N 0.021 122.748 122.820 -0.155 0.000 2.235 411 A HA 0.208 4.529 4.320 0.002 0.000 0.208 411 A C 2.129 179.588 177.584 -0.208 0.000 1.172 411 A CA 1.121 53.024 52.037 -0.223 0.000 0.786 411 A CB -0.385 18.475 19.000 -0.233 0.000 0.804 411 A HN 0.534 nan 8.150 nan 0.000 0.479 412 G N -1.100 107.618 108.800 -0.136 0.000 2.833 412 G HA2 0.344 4.305 3.960 0.002 0.000 0.210 412 G HA3 0.344 4.305 3.960 0.002 0.000 0.210 412 G C 0.306 175.158 174.900 -0.080 0.000 1.139 412 G CA 0.227 45.256 45.100 -0.118 0.000 0.771 412 G HN 0.200 nan 8.290 nan 0.000 0.535 413 V N 2.509 122.378 119.914 -0.074 0.000 2.508 413 V HA 0.454 4.576 4.120 0.002 0.000 0.281 413 V C 0.771 176.827 176.094 -0.063 0.000 1.041 413 V CA 0.029 62.299 62.300 -0.050 0.000 1.016 413 V CB 0.579 32.372 31.823 -0.050 0.000 0.984 413 V HN 0.391 nan 8.190 nan 0.000 0.478 414 T N 0.484 115.014 114.554 -0.040 0.000 2.883 414 T HA 0.373 4.724 4.350 0.002 0.000 0.284 414 T C 1.152 175.835 174.700 -0.029 0.000 1.041 414 T CA 0.050 62.124 62.100 -0.044 0.000 1.007 414 T CB 1.692 70.539 68.868 -0.035 0.000 1.220 414 T HN 0.638 nan 8.240 nan 0.000 0.552 415 S N -0.463 115.220 115.700 -0.029 0.000 2.436 415 S HA 0.119 4.590 4.470 0.002 0.000 0.228 415 S C 2.294 176.888 174.600 -0.011 0.000 1.014 415 S CA 0.889 59.076 58.200 -0.022 0.000 0.950 415 S CB -1.361 61.825 63.200 -0.024 0.000 0.784 415 S HN 1.079 nan 8.310 nan 0.000 0.504 416 G N 3.309 112.102 108.800 -0.011 0.000 2.476 416 G HA2 -0.309 3.652 3.960 0.002 0.000 0.218 416 G HA3 -0.309 3.652 3.960 0.002 0.000 0.218 416 G C 1.367 176.274 174.900 0.010 0.000 1.164 416 G CA 1.262 46.359 45.100 -0.004 0.000 0.768 416 G HN 0.793 nan 8.290 nan 0.000 0.560 417 N N -0.685 118.026 118.700 0.019 0.000 2.205 417 N HA 0.102 4.844 4.740 0.002 0.000 0.201 417 N C 1.466 177.028 175.510 0.087 0.000 1.128 417 N CA 0.633 53.716 53.050 0.055 0.000 0.867 417 N CB 0.260 38.779 38.487 0.053 0.000 0.996 417 N HN 0.156 nan 8.380 nan 0.000 0.503 418 V N 0.128 120.066 119.914 0.040 0.000 2.759 418 V HA 0.084 4.205 4.120 0.002 0.000 0.256 418 V C 1.882 177.989 176.094 0.022 0.000 1.080 418 V CA 1.857 64.167 62.300 0.016 0.000 1.101 418 V CB -0.945 30.866 31.823 -0.020 0.000 0.698 418 V HN 0.415 nan 8.190 nan 0.000 0.477 419 G N -0.970 107.861 108.800 0.051 0.000 2.511 419 G HA2 -0.358 3.603 3.960 0.002 0.000 0.216 419 G HA3 -0.358 3.603 3.960 0.002 0.000 0.216 419 G C 1.459 176.430 174.900 0.119 0.000 1.218 419 G CA 1.290 46.426 45.100 0.060 0.000 0.788 419 G HN 0.583 nan 8.290 nan 0.000 0.560 420 Y N 0.852 121.172 120.300 0.034 0.000 2.081 420 Y HA -0.171 4.381 4.550 0.002 0.000 0.280 420 Y C 2.598 178.511 175.900 0.020 0.000 1.163 420 Y CA 1.873 60.021 58.100 0.080 0.000 1.135 420 Y CB -0.514 37.996 38.460 0.084 0.000 0.970 420 Y HN 0.141 nan 8.280 nan 0.000 0.498 421 L N 0.572 121.863 121.223 0.113 0.000 2.051 421 L HA -0.241 4.100 4.340 0.002 0.000 0.214 421 L C 2.342 179.091 176.870 -0.203 0.000 1.076 421 L CA 2.381 57.180 54.840 -0.067 0.000 0.758 421 L CB -1.368 40.681 42.059 -0.017 0.000 0.890 421 L HN 0.320 nan 8.230 nan 0.000 0.433 422 A N -1.974 120.761 122.820 -0.143 0.000 1.898 422 A HA -0.219 4.102 4.320 0.002 0.000 0.214 422 A C 2.240 179.739 177.584 -0.141 0.000 1.183 422 A CA 1.315 53.238 52.037 -0.190 0.000 0.622 422 A CB -0.933 17.973 19.000 -0.156 0.000 0.824 422 A HN 0.686 nan 8.150 nan 0.000 0.444 423 H N 0.627 119.584 119.070 -0.188 0.000 2.289 423 H HA -0.114 4.443 4.556 0.002 0.000 0.296 423 H C 2.222 177.340 175.328 -0.350 0.000 1.091 423 H CA 2.250 58.196 56.048 -0.171 0.000 1.274 423 H CB -0.477 29.211 29.762 -0.124 0.000 1.364 423 H HN 0.378 nan 8.280 nan 0.000 0.490 424 A N 0.741 123.085 122.820 -0.793 0.000 1.851 424 A HA -0.165 4.157 4.320 0.002 0.000 0.216 424 A C 2.735 179.779 177.584 -0.900 0.000 1.195 424 A CA 2.006 53.203 52.037 -1.401 0.000 0.622 424 A CB -1.051 17.075 19.000 -1.456 0.000 0.831 424 A HN 0.524 nan 8.150 nan 0.000 0.444 425 I N -1.247 119.003 120.570 -0.533 0.000 2.264 425 I HA -0.291 3.881 4.170 0.002 0.000 0.248 425 I C 2.522 178.525 176.117 -0.190 0.000 1.111 425 I CA 1.854 62.948 61.300 -0.343 0.000 1.382 425 I CB -0.564 37.215 38.000 -0.368 0.000 1.060 425 I HN 0.584 nan 8.210 nan 0.000 0.418 426 H N 1.313 120.224 119.070 -0.263 0.000 2.293 426 H HA -0.186 4.371 4.556 0.002 0.000 0.300 426 H C 2.258 177.531 175.328 -0.090 0.000 1.082 426 H CA 1.757 57.748 56.048 -0.096 0.000 1.308 426 H CB -0.078 29.638 29.762 -0.076 0.000 1.375 426 H HN 0.152 nan 8.280 nan 0.000 0.495 427 Q N 0.117 119.670 119.800 -0.410 0.000 2.096 427 Q HA -0.133 4.208 4.340 0.002 0.000 0.208 427 Q C 2.627 178.511 176.000 -0.193 0.000 0.993 427 Q CA 1.962 57.565 55.803 -0.333 0.000 0.862 427 Q CB -1.161 27.459 28.738 -0.197 0.000 0.915 427 Q HN 0.625 nan 8.270 nan 0.000 0.416 428 V N -1.445 118.369 119.914 -0.167 0.000 3.141 428 V HA -0.032 4.090 4.120 0.002 0.000 0.265 428 V C 1.622 177.705 176.094 -0.017 0.000 1.126 428 V CA 1.803 64.068 62.300 -0.058 0.000 1.141 428 V CB -0.780 31.017 31.823 -0.044 0.000 0.743 428 V HN 0.418 nan 8.190 nan 0.000 0.492 429 T N -1.974 112.581 114.554 0.002 0.000 2.955 429 T HA 0.219 4.570 4.350 0.002 0.000 0.251 429 T C 0.979 175.782 174.700 0.172 0.000 1.002 429 T CA 0.232 62.412 62.100 0.133 0.000 0.970 429 T CB 0.029 69.087 68.868 0.316 0.000 1.091 429 T HN 0.782 nan 8.240 nan 0.000 0.495 430 K N 0.000 120.392 120.400 -0.014 0.000 2.780 430 K HA 0.000 4.321 4.320 0.002 0.000 0.191 430 K CA 0.000 56.259 56.287 -0.047 0.000 0.838 430 K CB 0.000 32.318 32.500 -0.304 0.000 1.064 430 K HN 0.000 nan 8.250 nan 0.000 0.543