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 3glf_1_C DATA FIRST_RESID 4 DATA SEQUENCE QVLARKWRPQ TFADVVGQEH VLTALANGLS LGRIHHAYLF SGTRGVGKTS DATA SEQUENCE IARLLAKGLN CETGITATPC GVCDNCREIE QGRFVDLIEI DAASRTKVED DATA SEQUENCE TRDLLDNVQY APARGRFKVY LIDEVHMLSR HSFNALLKTL EEPPEHVKFL DATA SEQUENCE LATTDPQKLP VTILSRCLQF HLKALDVEQI RHQLEHILNE EHIAHEPRAL DATA SEQUENCE QLLARAAEGS LRDALSLTDQ AIASGDGQVS TQAVSAMLGT LDDDQALSLV DATA SEQUENCE EAMVEANGER VMALINEAAA RGIEWEALLV EMLGLLHRIA MVQLSPAALG DATA SEQUENCE NDMAAIELRM RELARTIPPT DIQLYYQTLL IGRKELPYAP DRRMGVEMTL DATA SEQUENCE LRALAFHPRM PLPEP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.030 176.000 0.050 0.000 1.003 4 Q CA 0.000 55.824 55.803 0.036 0.000 1.022 4 Q CB 0.000 28.754 28.738 0.027 0.000 1.108 5 V N 2.501 122.446 119.914 0.051 0.000 2.370 5 V HA 0.280 4.400 4.120 -0.001 0.000 0.283 5 V C 1.505 177.660 176.094 0.103 0.000 1.023 5 V CA -0.099 62.240 62.300 0.065 0.000 0.857 5 V CB 1.099 32.951 31.823 0.048 0.000 0.985 5 V HN 0.628 nan 8.190 nan 0.000 0.443 6 L N 4.118 125.419 121.223 0.130 0.000 1.976 6 L HA -0.135 4.205 4.340 -0.001 0.000 0.209 6 L C 2.719 179.715 176.870 0.209 0.000 1.071 6 L CA 1.913 56.886 54.840 0.223 0.000 0.746 6 L CB -0.609 41.529 42.059 0.132 0.000 0.890 6 L HN 0.841 nan 8.230 nan 0.000 0.432 7 A N -0.251 122.638 122.820 0.116 0.000 1.984 7 A HA -0.342 3.978 4.320 -0.001 0.000 0.224 7 A C 2.452 180.097 177.584 0.101 0.000 1.256 7 A CA 2.592 54.682 52.037 0.089 0.000 0.679 7 A CB -0.701 18.331 19.000 0.054 0.000 0.829 7 A HN 0.403 nan 8.150 nan 0.000 0.483 8 R N -1.158 119.396 120.500 0.090 0.000 2.105 8 R HA 0.019 4.359 4.340 -0.001 0.000 0.214 8 R C 2.346 178.670 176.300 0.041 0.000 1.091 8 R CA 1.027 57.160 56.100 0.056 0.000 1.007 8 R CB -0.295 30.024 30.300 0.033 0.000 0.912 8 R HN 0.637 nan 8.270 nan 0.000 0.450 9 K N -0.153 120.273 120.400 0.044 0.000 2.059 9 K HA -0.190 4.130 4.320 -0.001 0.000 0.212 9 K C 0.953 177.440 176.600 -0.188 0.000 1.050 9 K CA 1.943 58.179 56.287 -0.085 0.000 0.927 9 K CB -0.185 32.269 32.500 -0.078 0.000 0.714 9 K HN 0.176 nan 8.250 nan 0.000 0.447 10 W N 1.913 123.215 121.300 0.003 0.000 3.438 10 W HA 0.198 4.858 4.660 -0.001 0.000 0.322 10 W C 0.090 176.607 176.519 -0.003 0.000 1.261 10 W CA -0.609 56.740 57.345 0.007 0.000 1.788 10 W CB 0.013 29.483 29.460 0.016 0.000 1.065 10 W HN 0.015 nan 8.180 nan 0.000 0.715 11 R N 2.546 123.107 120.500 0.102 0.000 2.486 11 R HA -0.024 4.316 4.340 -0.001 0.000 0.303 11 R C -2.170 174.149 176.300 0.031 0.000 0.958 11 R CA -1.067 55.062 56.100 0.047 0.000 1.077 11 R CB 0.164 30.467 30.300 0.004 0.000 0.921 11 R HN -0.160 nan 8.270 nan 0.000 0.406 12 P HA -0.029 nan 4.420 nan 0.000 0.266 12 P C -0.445 176.856 177.300 0.000 0.000 1.195 12 P CA 0.048 63.166 63.100 0.029 0.000 0.768 12 P CB 0.841 32.536 31.700 -0.007 0.000 0.838 13 Q N 0.037 119.842 119.800 0.008 0.000 2.316 13 Q HA 0.109 4.449 4.340 -0.001 0.000 0.235 13 Q C 0.727 176.744 176.000 0.028 0.000 0.863 13 Q CA 0.776 56.578 55.803 -0.002 0.000 0.939 13 Q CB 0.422 29.142 28.738 -0.031 0.000 1.108 13 Q HN 0.633 nan 8.270 nan 0.000 0.522 14 T N -3.949 110.639 114.554 0.056 0.000 2.887 14 T HA 0.439 4.789 4.350 -0.001 0.000 0.292 14 T C 0.518 175.341 174.700 0.204 0.000 1.087 14 T CA -0.652 61.521 62.100 0.123 0.000 1.009 14 T CB 0.505 69.413 68.868 0.066 0.000 1.203 14 T HN -0.213 nan 8.240 nan 0.000 0.518 15 F N 0.861 120.771 119.950 -0.068 0.000 2.269 15 F HA 0.114 4.641 4.527 -0.001 0.000 0.301 15 F C 2.883 178.644 175.800 -0.065 0.000 1.082 15 F CA 0.856 58.809 58.000 -0.078 0.000 1.360 15 F CB -1.325 37.626 39.000 -0.082 0.000 1.041 15 F HN 0.830 nan 8.300 nan 0.000 0.512 16 A N -0.172 122.732 122.820 0.140 0.000 1.948 16 A HA -0.205 4.115 4.320 -0.001 0.000 0.220 16 A C 1.817 179.410 177.584 0.016 0.000 1.177 16 A CA 2.081 54.150 52.037 0.054 0.000 0.636 16 A CB -0.716 18.307 19.000 0.038 0.000 0.815 16 A HN 0.285 nan 8.150 nan 0.000 0.449 17 D N -0.612 119.805 120.400 0.028 0.000 2.349 17 D HA 0.145 4.784 4.640 -0.001 0.000 0.224 17 D C -0.015 176.276 176.300 -0.015 0.000 1.029 17 D CA 0.195 54.208 54.000 0.021 0.000 0.879 17 D CB 0.137 40.977 40.800 0.068 0.000 0.906 17 D HN 0.176 nan 8.370 nan 0.000 0.528 18 V N 1.565 121.442 119.914 -0.061 0.000 2.465 18 V HA 0.122 4.242 4.120 -0.001 0.000 0.279 18 V C 0.482 176.514 176.094 -0.104 0.000 1.045 18 V CA -0.647 61.586 62.300 -0.112 0.000 0.938 18 V CB 2.102 33.794 31.823 -0.219 0.000 0.986 18 V HN -0.190 nan 8.190 nan 0.000 0.467 19 V N 5.192 125.051 119.914 -0.093 0.000 2.465 19 V HA 0.770 4.889 4.120 -0.001 0.000 0.279 19 V C 0.959 177.004 176.094 -0.082 0.000 1.045 19 V CA 0.691 62.940 62.300 -0.086 0.000 0.938 19 V CB 0.332 32.114 31.823 -0.068 0.000 0.986 19 V HN 1.302 nan 8.190 nan 0.000 0.467 20 G N 3.773 112.530 108.800 -0.070 0.000 2.601 20 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.252 20 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.252 20 G C 0.002 174.865 174.900 -0.062 0.000 1.294 20 G CA 0.080 45.156 45.100 -0.040 0.000 0.912 20 G HN 1.109 nan 8.290 nan 0.000 0.574 21 Q N -1.922 117.865 119.800 -0.021 0.000 2.494 21 Q HA -0.209 4.131 4.340 -0.001 0.000 0.266 21 Q C 1.280 177.163 176.000 -0.196 0.000 1.053 21 Q CA 2.097 57.819 55.803 -0.134 0.000 1.029 21 Q CB -1.812 26.791 28.738 -0.226 0.000 1.423 21 Q HN 0.878 nan 8.270 nan 0.000 0.516 22 E N 0.143 120.328 120.200 -0.026 0.000 2.065 22 E HA -0.223 4.126 4.350 -0.001 0.000 0.201 22 E C 1.565 178.155 176.600 -0.016 0.000 1.016 22 E CA 2.136 58.531 56.400 -0.008 0.000 0.818 22 E CB -0.525 29.209 29.700 0.056 0.000 0.749 22 E HN 0.927 nan 8.360 nan 0.000 0.453 23 H N -1.405 117.696 119.070 0.051 0.000 2.541 23 H HA -0.006 4.549 4.556 -0.001 0.000 0.289 23 H C 1.523 176.939 175.328 0.146 0.000 1.054 23 H CA 1.170 57.278 56.048 0.099 0.000 1.250 23 H CB -0.145 29.685 29.762 0.113 0.000 1.369 23 H HN 0.038 nan 8.280 nan 0.000 0.578 24 V N 0.478 120.058 119.914 -0.556 0.000 2.581 24 V HA -0.055 4.064 4.120 -0.001 0.000 0.240 24 V C 2.496 178.404 176.094 -0.311 0.000 1.054 24 V CA 0.794 62.856 62.300 -0.395 0.000 1.076 24 V CB -0.309 31.227 31.823 -0.478 0.000 0.748 24 V HN 0.357 nan 8.190 nan 0.000 0.474 25 L N 0.163 121.227 121.223 -0.265 0.000 1.994 25 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 25 L C 2.666 179.549 176.870 0.022 0.000 1.071 25 L CA 2.169 56.921 54.840 -0.147 0.000 0.745 25 L CB -1.121 40.850 42.059 -0.146 0.000 0.892 25 L HN 0.366 nan 8.230 nan 0.000 0.431 26 T N -0.034 114.534 114.554 0.023 0.000 2.759 26 T HA -0.218 4.132 4.350 -0.001 0.000 0.269 26 T C 1.951 176.707 174.700 0.094 0.000 1.042 26 T CA 1.360 63.500 62.100 0.068 0.000 1.140 26 T CB -0.295 68.617 68.868 0.074 0.000 0.864 26 T HN 0.469 nan 8.240 nan 0.000 0.455 27 A N 1.295 124.182 122.820 0.111 0.000 1.855 27 A HA 0.069 4.388 4.320 -0.001 0.000 0.215 27 A C 2.322 179.999 177.584 0.156 0.000 1.191 27 A CA 1.098 53.249 52.037 0.190 0.000 0.613 27 A CB -0.854 18.381 19.000 0.393 0.000 0.829 27 A HN 0.454 nan 8.150 nan 0.000 0.442 28 L N -0.503 120.754 121.223 0.057 0.000 2.012 28 L HA -0.235 4.105 4.340 -0.001 0.000 0.210 28 L C 3.109 180.038 176.870 0.099 0.000 1.073 28 L CA 1.295 56.179 54.840 0.074 0.000 0.748 28 L CB -0.666 41.420 42.059 0.045 0.000 0.891 28 L HN 0.436 nan 8.230 nan 0.000 0.431 29 A N 0.291 123.179 122.820 0.114 0.000 1.858 29 A HA -0.232 4.088 4.320 -0.001 0.000 0.216 29 A C 2.069 179.677 177.584 0.040 0.000 1.190 29 A CA 2.098 54.161 52.037 0.043 0.000 0.617 29 A CB -0.709 18.326 19.000 0.059 0.000 0.827 29 A HN 0.440 nan 8.150 nan 0.000 0.443 30 N N 0.114 118.855 118.700 0.068 0.000 2.272 30 N HA -0.114 4.625 4.740 -0.001 0.000 0.185 30 N C 1.653 177.210 175.510 0.078 0.000 1.014 30 N CA 1.438 54.530 53.050 0.069 0.000 0.870 30 N CB -0.622 37.914 38.487 0.083 0.000 0.975 30 N HN 0.522 nan 8.380 nan 0.000 0.433 31 G N 0.079 108.941 108.800 0.104 0.000 2.453 31 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.215 31 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.215 31 G C 1.633 176.588 174.900 0.092 0.000 1.147 31 G CA 0.020 45.194 45.100 0.123 0.000 0.802 31 G HN 0.196 nan 8.290 nan 0.000 0.535 32 L N 1.513 122.769 121.223 0.055 0.000 2.023 32 L HA -0.063 4.276 4.340 -0.001 0.000 0.205 32 L C 3.274 180.159 176.870 0.026 0.000 1.073 32 L CA 1.622 56.477 54.840 0.026 0.000 0.745 32 L CB -0.515 41.525 42.059 -0.033 0.000 0.900 32 L HN 0.372 nan 8.230 nan 0.000 0.435 33 S N -0.384 115.324 115.700 0.013 0.000 2.428 33 S HA -0.101 4.369 4.470 -0.001 0.000 0.230 33 S C 1.860 176.478 174.600 0.029 0.000 1.014 33 S CA 0.609 58.817 58.200 0.013 0.000 0.957 33 S CB -0.507 62.694 63.200 0.000 0.000 0.784 33 S HN 0.338 nan 8.310 nan 0.000 0.499 34 L N 1.266 122.513 121.223 0.041 0.000 2.610 34 L HA 0.163 4.502 4.340 -0.001 0.000 0.232 34 L C 1.916 178.818 176.870 0.054 0.000 1.149 34 L CA 0.516 55.385 54.840 0.047 0.000 0.872 34 L CB -0.841 41.251 42.059 0.056 0.000 0.992 34 L HN 0.629 nan 8.230 nan 0.000 0.447 35 G N 0.701 109.537 108.800 0.061 0.000 2.186 35 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.266 35 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.266 35 G C 0.427 175.376 174.900 0.082 0.000 0.982 35 G CA 0.158 45.302 45.100 0.073 0.000 0.670 35 G HN 0.446 nan 8.290 nan 0.000 0.533 36 R N 0.109 120.659 120.500 0.083 0.000 2.308 36 R HA 0.496 4.835 4.340 -0.001 0.000 0.325 36 R C -0.068 176.308 176.300 0.126 0.000 1.161 36 R CA -0.111 56.040 56.100 0.085 0.000 1.022 36 R CB 0.386 30.731 30.300 0.075 0.000 1.091 36 R HN 0.338 nan 8.270 nan 0.000 0.497 37 I N 2.872 123.520 120.570 0.130 0.000 2.410 37 I HA 0.178 4.348 4.170 -0.001 0.000 0.286 37 I C 0.790 177.018 176.117 0.186 0.000 1.009 37 I CA -0.826 60.601 61.300 0.212 0.000 1.111 37 I CB 1.286 39.379 38.000 0.154 0.000 1.262 37 I HN 0.472 nan 8.210 nan 0.000 0.443 38 H N 5.925 125.050 119.070 0.093 0.000 2.711 38 H HA 0.082 4.637 4.556 -0.001 0.000 0.381 38 H C 0.712 176.014 175.328 -0.044 0.000 1.535 38 H CA 0.919 56.825 56.048 -0.236 0.000 1.470 38 H CB 0.893 30.211 29.762 -0.740 0.000 1.551 38 H HN 0.670 nan 8.280 nan 0.000 0.613 39 H N -0.659 118.567 119.070 0.260 0.000 2.740 39 H HA 0.454 5.010 4.556 -0.001 0.000 0.265 39 H C -0.510 175.016 175.328 0.330 0.000 0.978 39 H CA 0.169 56.370 56.048 0.256 0.000 1.198 39 H CB 0.718 30.590 29.762 0.184 0.000 1.467 39 H HN 0.369 nan 8.280 nan 0.000 0.511 40 A N 1.288 124.211 122.820 0.171 0.000 2.457 40 A HA 0.466 4.785 4.320 -0.001 0.000 0.283 40 A C -1.906 175.497 177.584 -0.302 0.000 1.166 40 A CA -0.589 51.513 52.037 0.108 0.000 0.740 40 A CB 0.419 19.507 19.000 0.147 0.000 1.181 40 A HN 0.233 nan 8.150 nan 0.000 0.446 41 Y N 1.509 121.778 120.300 -0.051 0.000 2.330 41 Y HA 0.595 5.145 4.550 -0.001 0.000 0.336 41 Y C -0.028 175.690 175.900 -0.304 0.000 1.036 41 Y CA -0.855 57.116 58.100 -0.216 0.000 1.125 41 Y CB 1.835 40.184 38.460 -0.185 0.000 1.194 41 Y HN 0.625 nan 8.280 nan 0.000 0.469 42 L N 4.330 125.376 121.223 -0.294 0.000 2.341 42 L HA 0.691 5.030 4.340 -0.001 0.000 0.278 42 L C -1.962 174.744 176.870 -0.274 0.000 1.005 42 L CA -0.776 53.946 54.840 -0.197 0.000 0.818 42 L CB 0.530 42.526 42.059 -0.105 0.000 1.259 42 L HN 0.369 nan 8.230 nan 0.000 0.418 43 F N 3.032 123.082 119.950 0.166 0.000 2.507 43 F HA 0.781 5.308 4.527 -0.001 0.000 0.325 43 F C 0.100 175.941 175.800 0.068 0.000 1.116 43 F CA -0.294 57.786 58.000 0.134 0.000 0.930 43 F CB 2.294 41.348 39.000 0.091 0.000 1.146 43 F HN 0.595 nan 8.300 nan 0.000 0.447 44 S N 0.879 116.695 115.700 0.194 0.000 2.588 44 S HA 1.006 5.476 4.470 -0.001 0.000 0.275 44 S C -0.460 173.905 174.600 -0.392 0.000 1.130 44 S CA -0.713 57.482 58.200 -0.008 0.000 0.855 44 S CB 2.018 65.287 63.200 0.116 0.000 1.116 44 S HN 1.323 nan 8.310 nan 0.000 0.472 45 G N 0.712 109.299 108.800 -0.354 0.000 2.359 45 G HA2 0.384 4.344 3.960 -0.001 0.000 0.314 45 G HA3 0.384 4.344 3.960 -0.001 0.000 0.314 45 G C -0.608 174.251 174.900 -0.068 0.000 1.364 45 G CA -0.339 44.568 45.100 -0.322 0.000 0.978 45 G HN 1.163 nan 8.290 nan 0.000 0.615 46 T N -0.106 114.439 114.554 -0.015 0.000 2.766 46 T HA 0.532 4.882 4.350 -0.001 0.000 0.295 46 T C 1.009 175.711 174.700 0.004 0.000 1.024 46 T CA -0.238 61.868 62.100 0.010 0.000 1.018 46 T CB 0.630 69.511 68.868 0.022 0.000 1.002 46 T HN 1.183 nan 8.240 nan 0.000 0.532 47 R N 0.516 121.024 120.500 0.013 0.000 2.481 47 R HA 0.165 4.504 4.340 -0.001 0.000 0.291 47 R C 0.838 177.141 176.300 0.005 0.000 0.934 47 R CA 0.727 56.835 56.100 0.014 0.000 1.116 47 R CB -1.583 28.727 30.300 0.018 0.000 0.895 47 R HN 1.508 nan 8.270 nan 0.000 0.410 48 G N 1.820 110.620 108.800 -0.001 0.000 2.171 48 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.238 48 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.238 48 G C 0.093 174.981 174.900 -0.019 0.000 1.039 48 G CA -0.042 45.053 45.100 -0.007 0.000 0.759 48 G HN 0.544 nan 8.290 nan 0.000 0.501 49 V N -0.981 118.914 119.914 -0.032 0.000 3.477 49 V HA 0.609 4.729 4.120 -0.001 0.000 0.297 49 V C 1.847 177.896 176.094 -0.076 0.000 1.433 49 V CA 0.795 63.070 62.300 -0.041 0.000 1.052 49 V CB 0.320 32.126 31.823 -0.029 0.000 0.895 49 V HN 1.962 nan 8.190 nan 0.000 0.438 50 G N 1.749 110.495 108.800 -0.091 0.000 2.141 50 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.164 50 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.164 50 G C 0.752 175.522 174.900 -0.218 0.000 1.009 50 G CA 0.307 45.322 45.100 -0.142 0.000 0.677 50 G HN 0.529 nan 8.290 nan 0.000 0.508 51 K N -0.620 119.674 120.400 -0.176 0.000 2.007 51 K HA 0.014 4.333 4.320 -0.001 0.000 0.206 51 K C 2.107 178.562 176.600 -0.241 0.000 1.047 51 K CA 1.648 57.787 56.287 -0.246 0.000 0.937 51 K CB -0.702 31.753 32.500 -0.075 0.000 0.718 51 K HN 0.108 nan 8.250 nan 0.000 0.438 52 T N 1.376 115.864 114.554 -0.111 0.000 2.849 52 T HA -0.100 4.249 4.350 -0.001 0.000 0.270 52 T C 1.954 176.586 174.700 -0.113 0.000 1.066 52 T CA 1.754 63.811 62.100 -0.072 0.000 1.130 52 T CB -0.243 68.614 68.868 -0.019 0.000 0.864 52 T HN 0.443 nan 8.240 nan 0.000 0.481 53 S N 0.203 115.809 115.700 -0.156 0.000 2.483 53 S HA 0.264 4.734 4.470 -0.001 0.000 0.221 53 S C 1.956 176.416 174.600 -0.233 0.000 1.030 53 S CA -0.175 57.935 58.200 -0.150 0.000 0.925 53 S CB -0.152 62.980 63.200 -0.112 0.000 0.795 53 S HN 0.389 nan 8.310 nan 0.000 0.511 54 I N 2.359 122.705 120.570 -0.373 0.000 2.286 54 I HA -0.120 4.050 4.170 -0.001 0.000 0.245 54 I C 2.932 178.759 176.117 -0.483 0.000 1.104 54 I CA 1.073 62.050 61.300 -0.540 0.000 1.397 54 I CB -0.527 37.019 38.000 -0.757 0.000 1.072 54 I HN 0.354 nan 8.210 nan 0.000 0.417 55 A N 1.064 123.596 122.820 -0.479 0.000 1.908 55 A HA -0.236 4.084 4.320 -0.001 0.000 0.218 55 A C 2.367 179.905 177.584 -0.076 0.000 1.181 55 A CA 1.690 53.598 52.037 -0.215 0.000 0.627 55 A CB -0.556 18.419 19.000 -0.041 0.000 0.818 55 A HN 0.350 nan 8.150 nan 0.000 0.445 56 R N -0.806 119.644 120.500 -0.082 0.000 2.073 56 R HA 0.098 4.438 4.340 -0.001 0.000 0.229 56 R C 2.082 178.371 176.300 -0.018 0.000 1.120 56 R CA 1.105 57.187 56.100 -0.032 0.000 0.967 56 R CB -0.480 29.801 30.300 -0.030 0.000 0.862 56 R HN 0.479 nan 8.270 nan 0.000 0.436 57 L N 0.720 121.930 121.223 -0.022 0.000 2.043 57 L HA -0.238 4.102 4.340 -0.001 0.000 0.212 57 L C 2.384 179.374 176.870 0.199 0.000 1.075 57 L CA 0.829 55.737 54.840 0.114 0.000 0.752 57 L CB -0.489 41.657 42.059 0.146 0.000 0.891 57 L HN 0.205 nan 8.230 nan 0.000 0.432 58 L N 0.190 121.487 121.223 0.123 0.000 1.970 58 L HA -0.183 4.156 4.340 -0.001 0.000 0.212 58 L C 2.694 179.564 176.870 -0.000 0.000 1.071 58 L CA 2.186 57.078 54.840 0.085 0.000 0.751 58 L CB -1.134 40.921 42.059 -0.007 0.000 0.889 58 L HN 0.172 nan 8.230 nan 0.000 0.432 59 A N -0.336 122.482 122.820 -0.004 0.000 1.884 59 A HA -0.360 3.959 4.320 -0.001 0.000 0.219 59 A C 2.499 180.071 177.584 -0.019 0.000 1.197 59 A CA 2.559 54.595 52.037 -0.001 0.000 0.637 59 A CB -0.897 18.118 19.000 0.025 0.000 0.827 59 A HN 0.568 nan 8.150 nan 0.000 0.450 60 K N -0.958 119.418 120.400 -0.040 0.000 2.103 60 K HA -0.154 4.165 4.320 -0.001 0.000 0.207 60 K C 1.932 178.478 176.600 -0.090 0.000 1.048 60 K CA 1.537 57.769 56.287 -0.093 0.000 0.930 60 K CB -0.501 31.954 32.500 -0.074 0.000 0.716 60 K HN 0.453 nan 8.250 nan 0.000 0.444 61 G N 0.613 109.366 108.800 -0.078 0.000 2.511 61 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.217 61 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.217 61 G C 1.346 176.214 174.900 -0.053 0.000 1.133 61 G CA 0.016 45.047 45.100 -0.115 0.000 0.792 61 G HN 0.209 nan 8.290 nan 0.000 0.539 62 L N -0.144 121.071 121.223 -0.014 0.000 2.395 62 L HA 0.168 4.507 4.340 -0.001 0.000 0.218 62 L C 1.705 178.699 176.870 0.207 0.000 1.130 62 L CA 0.389 55.272 54.840 0.072 0.000 0.826 62 L CB 0.144 42.195 42.059 -0.014 0.000 0.941 62 L HN 0.114 nan 8.230 nan 0.000 0.451 63 N N -1.861 116.896 118.700 0.094 0.000 2.143 63 N HA 0.048 4.788 4.740 -0.001 0.000 0.222 63 N C -0.186 175.319 175.510 -0.008 0.000 1.264 63 N CA -0.137 52.971 53.050 0.097 0.000 0.897 63 N CB 0.414 38.960 38.487 0.098 0.000 1.092 63 N HN 0.071 nan 8.380 nan 0.000 0.516 64 C N 1.899 121.175 119.300 -0.040 0.000 2.590 64 C HA 0.053 4.512 4.460 -0.001 0.000 0.411 64 C C 1.930 176.898 174.990 -0.036 0.000 1.420 64 C CA 0.007 58.985 59.018 -0.066 0.000 1.643 64 C CB -0.387 27.309 27.740 -0.073 0.000 2.528 64 C HN 0.441 nan 8.230 nan 0.000 0.606 65 E N 1.795 121.971 120.200 -0.040 0.000 2.333 65 E HA -0.195 4.154 4.350 -0.001 0.000 0.200 65 E C 2.042 178.630 176.600 -0.020 0.000 1.010 65 E CA 1.770 58.158 56.400 -0.021 0.000 0.841 65 E CB 0.051 29.739 29.700 -0.019 0.000 0.757 65 E HN 0.999 nan 8.360 nan 0.000 0.508 66 T N -2.180 112.358 114.554 -0.027 0.000 3.023 66 T HA 0.178 4.528 4.350 -0.001 0.000 0.266 66 T C 0.788 175.476 174.700 -0.019 0.000 1.093 66 T CA 0.598 62.683 62.100 -0.025 0.000 1.129 66 T CB 0.503 69.352 68.868 -0.032 0.000 0.899 66 T HN 0.223 nan 8.240 nan 0.000 0.491 67 G N 0.366 109.157 108.800 -0.014 0.000 2.317 67 G HA2 0.219 4.178 3.960 -0.001 0.000 0.445 67 G HA3 0.219 4.178 3.960 -0.001 0.000 0.445 67 G C -0.992 173.913 174.900 0.008 0.000 1.486 67 G CA -0.894 44.205 45.100 -0.001 0.000 0.991 67 G HN 0.399 nan 8.290 nan 0.000 0.660 68 I N 1.789 122.384 120.570 0.043 0.000 2.792 68 I HA 0.223 4.392 4.170 -0.001 0.000 0.284 68 I C 0.959 177.076 176.117 0.000 0.000 1.166 68 I CA 1.075 62.411 61.300 0.060 0.000 1.375 68 I CB 0.175 38.245 38.000 0.116 0.000 1.421 68 I HN 0.539 nan 8.210 nan 0.000 0.544 69 T N 4.002 118.526 114.554 -0.050 0.000 2.883 69 T HA 0.597 4.946 4.350 -0.001 0.000 0.296 69 T C 0.534 175.116 174.700 -0.196 0.000 1.117 69 T CA -0.075 61.967 62.100 -0.098 0.000 1.006 69 T CB 1.841 70.654 68.868 -0.091 0.000 1.191 69 T HN 0.529 nan 8.240 nan 0.000 0.508 70 A N 1.181 123.854 122.820 -0.245 0.000 2.195 70 A HA 0.298 4.617 4.320 -0.001 0.000 0.210 70 A C 0.961 178.203 177.584 -0.569 0.000 1.165 70 A CA 0.787 52.545 52.037 -0.465 0.000 0.806 70 A CB -0.250 18.549 19.000 -0.336 0.000 0.847 70 A HN 0.869 nan 8.150 nan 0.000 0.482 71 T N 0.506 114.870 114.554 -0.317 0.000 3.154 71 T HA 0.492 4.841 4.350 -0.001 0.000 0.381 71 T C -2.774 171.819 174.700 -0.177 0.000 1.368 71 T CA -1.942 60.014 62.100 -0.240 0.000 1.155 71 T CB 1.107 69.891 68.868 -0.140 0.000 1.120 71 T HN 0.148 nan 8.240 nan 0.000 0.570 72 P HA 0.129 nan 4.420 nan 0.000 0.269 72 P C 1.230 178.475 177.300 -0.093 0.000 1.215 72 P CA -0.529 62.493 63.100 -0.129 0.000 0.780 72 P CB 0.820 32.446 31.700 -0.124 0.000 0.898 73 C N -0.790 118.463 119.300 -0.079 0.000 2.594 73 C HA 0.350 4.809 4.460 -0.001 0.000 0.265 73 C C 1.882 176.839 174.990 -0.055 0.000 1.351 73 C CA 0.380 59.361 59.018 -0.061 0.000 1.744 73 C CB -1.630 26.078 27.740 -0.054 0.000 1.890 73 C HN 0.764 nan 8.230 nan 0.000 0.551 74 G N 0.872 109.634 108.800 -0.064 0.000 2.200 74 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.267 74 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.267 74 G C 0.791 175.658 174.900 -0.055 0.000 0.993 74 G CA 1.413 46.477 45.100 -0.060 0.000 0.701 74 G HN 1.657 nan 8.290 nan 0.000 0.524 75 V N -2.578 117.303 119.914 -0.054 0.000 3.159 75 V HA 0.261 4.381 4.120 -0.001 0.000 0.234 75 V C 2.103 178.170 176.094 -0.045 0.000 1.313 75 V CA 0.976 63.249 62.300 -0.044 0.000 1.271 75 V CB -0.551 31.252 31.823 -0.034 0.000 1.053 75 V HN 1.424 nan 8.190 nan 0.000 0.476 76 C N 2.157 121.428 119.300 -0.050 0.000 2.641 76 C HA 0.171 4.631 4.460 -0.001 0.000 0.412 76 C C 1.780 176.739 174.990 -0.052 0.000 1.312 76 C CA 0.616 59.607 59.018 -0.045 0.000 1.838 76 C CB -0.215 27.496 27.740 -0.048 0.000 2.682 76 C HN 0.670 nan 8.230 nan 0.000 0.627 77 D N 2.319 122.703 120.400 -0.027 0.000 2.204 77 D HA -0.178 4.462 4.640 -0.001 0.000 0.189 77 D C 1.743 178.017 176.300 -0.044 0.000 1.006 77 D CA 2.455 56.449 54.000 -0.010 0.000 0.855 77 D CB -0.377 40.439 40.800 0.027 0.000 0.946 77 D HN 0.812 nan 8.370 nan 0.000 0.448 78 N N -0.490 118.161 118.700 -0.082 0.000 2.132 78 N HA -0.144 4.595 4.740 -0.001 0.000 0.191 78 N C 1.884 177.137 175.510 -0.429 0.000 1.015 78 N CA 0.919 53.775 53.050 -0.322 0.000 0.864 78 N CB -0.652 37.659 38.487 -0.293 0.000 1.006 78 N HN 0.293 nan 8.380 nan 0.000 0.430 79 C N 0.165 119.322 119.300 -0.238 0.000 2.489 79 C HA 0.090 4.549 4.460 -0.001 0.000 0.279 79 C C 2.611 177.509 174.990 -0.153 0.000 1.266 79 C CA 0.125 59.022 59.018 -0.201 0.000 1.707 79 C CB -0.800 26.861 27.740 -0.132 0.000 2.059 79 C HN 0.468 nan 8.230 nan 0.000 0.481 80 R N 0.703 121.141 120.500 -0.104 0.000 2.091 80 R HA -0.149 4.191 4.340 -0.001 0.000 0.238 80 R C 2.071 178.338 176.300 -0.055 0.000 1.136 80 R CA 1.465 57.525 56.100 -0.067 0.000 0.959 80 R CB -0.333 29.940 30.300 -0.045 0.000 0.856 80 R HN 0.641 nan 8.270 nan 0.000 0.437 81 E N 0.219 120.387 120.200 -0.053 0.000 2.204 81 E HA -0.166 4.184 4.350 -0.001 0.000 0.195 81 E C 1.845 178.451 176.600 0.008 0.000 0.990 81 E CA 0.926 57.333 56.400 0.011 0.000 0.821 81 E CB 0.020 29.786 29.700 0.110 0.000 0.750 81 E HN 0.392 nan 8.360 nan 0.000 0.477 82 I N 0.674 121.174 120.570 -0.118 0.000 2.500 82 I HA -0.170 3.999 4.170 -0.001 0.000 0.252 82 I C 2.102 178.197 176.117 -0.037 0.000 1.142 82 I CA 0.776 62.029 61.300 -0.078 0.000 1.451 82 I CB -0.203 37.681 38.000 -0.194 0.000 1.093 82 I HN 0.068 nan 8.210 nan 0.000 0.430 83 E N 0.925 121.092 120.200 -0.054 0.000 2.110 83 E HA -0.240 4.109 4.350 -0.001 0.000 0.193 83 E C 1.725 178.311 176.600 -0.024 0.000 0.988 83 E CA 1.089 57.464 56.400 -0.041 0.000 0.804 83 E CB -0.023 29.646 29.700 -0.051 0.000 0.745 83 E HN 0.574 nan 8.360 nan 0.000 0.458 84 Q N -0.814 118.978 119.800 -0.012 0.000 2.365 84 Q HA 0.110 4.449 4.340 -0.001 0.000 0.203 84 Q C 0.801 176.813 176.000 0.020 0.000 0.929 84 Q CA 0.357 56.161 55.803 0.001 0.000 0.948 84 Q CB 0.921 29.661 28.738 0.004 0.000 1.043 84 Q HN 0.359 nan 8.270 nan 0.000 0.505 85 G N 2.488 111.307 108.800 0.032 0.000 2.179 85 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.257 85 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.257 85 G C 0.178 175.119 174.900 0.069 0.000 1.010 85 G CA 0.587 45.717 45.100 0.050 0.000 0.736 85 G HN 0.489 nan 8.290 nan 0.000 0.513 86 R N -1.384 119.168 120.500 0.087 0.000 2.989 86 R HA 0.592 4.932 4.340 -0.001 0.000 0.340 86 R C -0.454 175.941 176.300 0.159 0.000 1.205 86 R CA -0.976 55.178 56.100 0.089 0.000 1.235 86 R CB 0.333 30.667 30.300 0.057 0.000 1.394 86 R HN 0.219 nan 8.270 nan 0.000 0.598 87 F N 1.424 121.369 119.950 -0.007 0.000 2.404 87 F HA 0.252 4.779 4.527 -0.001 0.000 0.354 87 F C 1.172 176.965 175.800 -0.012 0.000 1.122 87 F CA -1.520 56.475 58.000 -0.010 0.000 1.080 87 F CB 1.558 40.551 39.000 -0.011 0.000 1.131 87 F HN -0.074 nan 8.300 nan 0.000 0.471 88 V N 3.903 123.544 119.914 -0.455 0.000 2.568 88 V HA -0.230 3.889 4.120 -0.001 0.000 0.253 88 V C 1.068 176.850 176.094 -0.519 0.000 1.072 88 V CA 2.053 64.114 62.300 -0.398 0.000 1.084 88 V CB -0.547 31.095 31.823 -0.302 0.000 0.676 88 V HN 0.693 nan 8.190 nan 0.000 0.469 89 D N -0.549 119.248 120.400 -1.006 0.000 2.440 89 D HA 0.221 4.861 4.640 -0.001 0.000 0.216 89 D C 0.063 176.224 176.300 -0.232 0.000 1.150 89 D CA -0.060 53.589 54.000 -0.586 0.000 0.832 89 D CB 1.117 41.596 40.800 -0.536 0.000 0.992 89 D HN 0.309 nan 8.370 nan 0.000 0.502 90 L N 2.027 123.217 121.223 -0.056 0.000 2.301 90 L HA 0.361 4.700 4.340 -0.001 0.000 0.278 90 L C -0.608 176.256 176.870 -0.011 0.000 1.022 90 L CA -0.470 54.413 54.840 0.072 0.000 0.854 90 L CB 0.541 42.749 42.059 0.249 0.000 1.226 90 L HN -0.128 nan 8.230 nan 0.000 0.429 91 I N 3.790 124.307 120.570 -0.090 0.000 2.282 91 I HA 0.288 4.458 4.170 -0.001 0.000 0.290 91 I C 0.149 176.317 176.117 0.084 0.000 1.090 91 I CA -0.361 60.930 61.300 -0.015 0.000 1.231 91 I CB 0.535 38.511 38.000 -0.040 0.000 1.434 91 I HN 0.620 nan 8.210 nan 0.000 0.487 92 E N 6.316 126.563 120.200 0.079 0.000 2.105 92 E HA 0.392 4.742 4.350 -0.001 0.000 0.285 92 E C -0.749 175.908 176.600 0.094 0.000 1.055 92 E CA -0.399 56.055 56.400 0.091 0.000 0.843 92 E CB 1.002 30.744 29.700 0.069 0.000 1.067 92 E HN 0.557 nan 8.360 nan 0.000 0.398 93 I N 3.810 124.449 120.570 0.116 0.000 2.321 93 I HA 0.059 4.229 4.170 -0.001 0.000 0.291 93 I C -0.138 176.016 176.117 0.061 0.000 0.998 93 I CA -0.538 60.820 61.300 0.096 0.000 1.227 93 I CB 1.239 39.313 38.000 0.123 0.000 1.368 93 I HN 0.435 nan 8.210 nan 0.000 0.466 94 D N 6.418 126.840 120.400 0.037 0.000 2.470 94 D HA 0.208 4.848 4.640 -0.001 0.000 0.226 94 D C 1.037 177.331 176.300 -0.009 0.000 1.196 94 D CA 0.001 54.010 54.000 0.016 0.000 0.979 94 D CB 1.232 42.040 40.800 0.013 0.000 1.059 94 D HN 0.640 nan 8.370 nan 0.000 0.515 95 A N 3.833 126.639 122.820 -0.024 0.000 1.948 95 A HA -0.175 4.145 4.320 -0.001 0.000 0.220 95 A C 2.108 179.640 177.584 -0.088 0.000 1.177 95 A CA 1.855 53.852 52.037 -0.066 0.000 0.636 95 A CB -0.507 18.436 19.000 -0.095 0.000 0.815 95 A HN 0.605 nan 8.150 nan 0.000 0.449 96 A N -1.179 121.592 122.820 -0.082 0.000 2.172 96 A HA 0.091 4.411 4.320 -0.001 0.000 0.216 96 A C 2.145 179.704 177.584 -0.041 0.000 1.154 96 A CA 1.825 53.819 52.037 -0.072 0.000 0.701 96 A CB -0.345 18.623 19.000 -0.053 0.000 0.789 96 A HN 0.472 nan 8.150 nan 0.000 0.465 97 S N -0.987 114.694 115.700 -0.032 0.000 2.564 97 S HA 0.114 4.584 4.470 -0.001 0.000 0.231 97 S C 1.007 175.591 174.600 -0.027 0.000 1.067 97 S CA -0.323 57.864 58.200 -0.022 0.000 0.908 97 S CB 0.130 63.325 63.200 -0.008 0.000 0.809 97 S HN 0.466 nan 8.310 nan 0.000 0.491 98 R N 3.370 123.852 120.500 -0.031 0.000 4.680 98 R HA 0.163 4.502 4.340 -0.001 0.000 0.222 98 R C 0.964 177.223 176.300 -0.068 0.000 1.803 98 R CA 0.247 56.325 56.100 -0.038 0.000 1.560 98 R CB -1.208 29.076 30.300 -0.026 0.000 1.412 98 R HN 0.540 nan 8.270 nan 0.000 0.815 99 T N -2.731 111.780 114.554 -0.072 0.000 3.043 99 T HA 0.049 4.398 4.350 -0.001 0.000 0.263 99 T C 0.886 175.523 174.700 -0.105 0.000 1.094 99 T CA 0.404 62.442 62.100 -0.104 0.000 1.127 99 T CB 0.528 69.343 68.868 -0.088 0.000 0.905 99 T HN 0.152 nan 8.240 nan 0.000 0.490 100 K N 0.569 120.925 120.400 -0.073 0.000 2.140 100 K HA 0.395 4.714 4.320 -0.001 0.000 0.237 100 K C 1.293 177.857 176.600 -0.059 0.000 1.045 100 K CA -0.438 55.812 56.287 -0.061 0.000 0.896 100 K CB 0.844 33.316 32.500 -0.047 0.000 1.122 100 K HN -0.158 nan 8.250 nan 0.000 0.503 101 V N 1.138 121.029 119.914 -0.038 0.000 2.346 101 V HA -0.151 3.968 4.120 -0.001 0.000 0.244 101 V C 1.808 177.886 176.094 -0.026 0.000 1.037 101 V CA 1.509 63.798 62.300 -0.018 0.000 1.029 101 V CB -0.429 31.412 31.823 0.029 0.000 0.663 101 V HN 0.634 nan 8.190 nan 0.000 0.454 102 E N 0.300 120.485 120.200 -0.025 0.000 2.401 102 E HA -0.183 4.167 4.350 -0.001 0.000 0.199 102 E C 1.556 178.141 176.600 -0.025 0.000 1.023 102 E CA 0.893 57.280 56.400 -0.022 0.000 0.859 102 E CB -0.203 29.485 29.700 -0.020 0.000 0.780 102 E HN 0.633 nan 8.360 nan 0.000 0.523 103 D N -0.318 120.062 120.400 -0.033 0.000 2.290 103 D HA -0.017 4.623 4.640 -0.001 0.000 0.224 103 D C 1.754 178.028 176.300 -0.043 0.000 0.967 103 D CA 1.035 55.015 54.000 -0.033 0.000 0.893 103 D CB -0.325 40.453 40.800 -0.036 0.000 1.037 103 D HN 0.067 nan 8.370 nan 0.000 0.477 104 T N 1.377 115.895 114.554 -0.061 0.000 2.778 104 T HA -0.162 4.188 4.350 -0.001 0.000 0.269 104 T C 1.964 176.623 174.700 -0.068 0.000 1.050 104 T CA 1.042 63.096 62.100 -0.077 0.000 1.137 104 T CB -0.026 68.785 68.868 -0.096 0.000 0.860 104 T HN 0.120 nan 8.240 nan 0.000 0.468 105 R N 0.789 121.260 120.500 -0.048 0.000 2.075 105 R HA -0.063 4.277 4.340 -0.001 0.000 0.232 105 R C 2.218 178.492 176.300 -0.044 0.000 1.126 105 R CA 1.408 57.483 56.100 -0.042 0.000 0.963 105 R CB -0.222 30.063 30.300 -0.026 0.000 0.858 105 R HN 0.347 nan 8.270 nan 0.000 0.435 106 D N 0.696 121.075 120.400 -0.035 0.000 2.144 106 D HA -0.136 4.503 4.640 -0.001 0.000 0.199 106 D C 1.920 178.197 176.300 -0.039 0.000 0.984 106 D CA 1.035 55.018 54.000 -0.028 0.000 0.834 106 D CB -0.119 40.675 40.800 -0.009 0.000 0.955 106 D HN 0.178 nan 8.370 nan 0.000 0.465 107 L N 0.194 121.384 121.223 -0.055 0.000 2.017 107 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 107 L C 2.582 179.368 176.870 -0.140 0.000 1.073 107 L CA 0.745 55.530 54.840 -0.091 0.000 0.745 107 L CB -0.484 41.502 42.059 -0.122 0.000 0.894 107 L HN 0.021 nan 8.230 nan 0.000 0.432 108 L N -0.414 120.736 121.223 -0.122 0.000 1.971 108 L HA -0.275 4.065 4.340 -0.001 0.000 0.215 108 L C 2.295 179.105 176.870 -0.101 0.000 1.072 108 L CA 1.356 56.133 54.840 -0.105 0.000 0.758 108 L CB -0.869 41.142 42.059 -0.081 0.000 0.889 108 L HN 0.274 nan 8.230 nan 0.000 0.433 109 D N 0.065 120.406 120.400 -0.099 0.000 2.203 109 D HA -0.173 4.467 4.640 -0.001 0.000 0.199 109 D C 1.393 177.540 176.300 -0.255 0.000 0.997 109 D CA 1.144 55.062 54.000 -0.136 0.000 0.863 109 D CB -0.318 40.425 40.800 -0.096 0.000 0.928 109 D HN 0.269 nan 8.370 nan 0.000 0.458 110 N N -0.255 118.329 118.700 -0.193 0.000 2.295 110 N HA 0.041 4.780 4.740 -0.001 0.000 0.221 110 N C 1.111 176.580 175.510 -0.068 0.000 1.129 110 N CA -0.017 52.894 53.050 -0.231 0.000 0.836 110 N CB 0.960 39.429 38.487 -0.029 0.000 1.040 110 N HN 0.057 nan 8.380 nan 0.000 0.494 111 V N 0.934 120.811 119.914 -0.062 0.000 2.500 111 V HA -0.194 3.926 4.120 -0.001 0.000 0.243 111 V C 2.359 178.520 176.094 0.112 0.000 1.039 111 V CA 1.201 63.548 62.300 0.078 0.000 1.053 111 V CB -0.211 31.638 31.823 0.043 0.000 0.695 111 V HN 0.360 nan 8.190 nan 0.000 0.463 112 Q N 0.049 119.860 119.800 0.019 0.000 2.029 112 Q HA -0.231 4.109 4.340 -0.001 0.000 0.209 112 Q C 0.425 176.605 176.000 0.301 0.000 0.999 112 Q CA 1.708 57.586 55.803 0.124 0.000 0.857 112 Q CB -0.961 27.795 28.738 0.030 0.000 0.926 112 Q HN 0.516 nan 8.270 nan 0.000 0.415 113 Y N 1.689 122.083 120.300 0.156 0.000 2.811 113 Y HA 0.205 4.754 4.550 -0.001 0.000 0.334 113 Y C 0.871 176.879 175.900 0.180 0.000 1.247 113 Y CA -0.670 57.500 58.100 0.116 0.000 1.526 113 Y CB -0.551 37.957 38.460 0.079 0.000 1.284 113 Y HN 0.312 nan 8.280 nan 0.000 0.586 114 A N 6.222 129.165 122.820 0.205 0.000 2.327 114 A HA 0.453 4.773 4.320 -0.001 0.000 0.255 114 A C -2.095 175.566 177.584 0.129 0.000 1.099 114 A CA -1.387 50.698 52.037 0.079 0.000 0.801 114 A CB -0.593 18.333 19.000 -0.123 0.000 1.062 114 A HN 0.554 nan 8.150 nan 0.000 0.496 115 P HA 0.287 nan 4.420 nan 0.000 0.276 115 P C 0.350 177.632 177.300 -0.029 0.000 1.230 115 P CA 0.351 63.468 63.100 0.030 0.000 0.776 115 P CB 1.324 33.048 31.700 0.040 0.000 0.888 116 A N 3.956 126.730 122.820 -0.076 0.000 1.929 116 A HA -0.076 4.243 4.320 -0.001 0.000 0.216 116 A C 1.938 179.476 177.584 -0.076 0.000 1.176 116 A CA 1.166 53.155 52.037 -0.080 0.000 0.628 116 A CB -0.257 18.682 19.000 -0.101 0.000 0.816 116 A HN 0.399 nan 8.150 nan 0.000 0.444 117 R N -1.964 118.474 120.500 -0.104 0.000 2.576 117 R HA 0.168 4.508 4.340 -0.001 0.000 0.237 117 R C 0.882 177.224 176.300 0.069 0.000 0.917 117 R CA 0.849 56.931 56.100 -0.028 0.000 1.002 117 R CB 0.417 30.692 30.300 -0.042 0.000 1.428 117 R HN 0.430 nan 8.270 nan 0.000 0.603 118 G N -0.554 108.285 108.800 0.065 0.000 2.705 118 G HA2 0.324 4.283 3.960 -0.001 0.000 0.299 118 G HA3 0.324 4.283 3.960 -0.001 0.000 0.299 118 G C 0.428 175.352 174.900 0.040 0.000 1.315 118 G CA -0.461 44.745 45.100 0.177 0.000 1.045 118 G HN -0.050 nan 8.290 nan 0.000 0.517 119 R N -1.482 119.015 120.500 -0.006 0.000 2.090 119 R HA 0.080 4.420 4.340 -0.001 0.000 0.228 119 R C -0.296 175.727 176.300 -0.461 0.000 1.110 119 R CA 0.977 56.908 56.100 -0.281 0.000 0.973 119 R CB -0.077 29.984 30.300 -0.398 0.000 0.869 119 R HN 0.354 nan 8.270 nan 0.000 0.440 120 F N -0.261 119.739 119.950 0.083 0.000 2.565 120 F HA 0.347 4.873 4.527 -0.001 0.000 0.313 120 F C -0.177 175.619 175.800 -0.007 0.000 1.091 120 F CA -1.048 56.982 58.000 0.049 0.000 0.915 120 F CB 1.580 40.599 39.000 0.031 0.000 1.208 120 F HN -0.424 nan 8.300 nan 0.000 0.453 121 K N 2.364 122.828 120.400 0.108 0.000 2.310 121 K HA 0.504 4.823 4.320 -0.001 0.000 0.290 121 K C -1.208 175.233 176.600 -0.265 0.000 1.077 121 K CA -0.201 56.002 56.287 -0.139 0.000 0.922 121 K CB 0.597 32.975 32.500 -0.203 0.000 1.057 121 K HN 0.444 nan 8.250 nan 0.000 0.479 122 V N 6.149 125.914 119.914 -0.248 0.000 2.328 122 V HA 0.193 4.313 4.120 -0.001 0.000 0.278 122 V C -0.800 175.106 176.094 -0.314 0.000 1.021 122 V CA -0.851 61.317 62.300 -0.220 0.000 0.838 122 V CB 0.188 31.989 31.823 -0.037 0.000 0.999 122 V HN 0.567 nan 8.190 nan 0.000 0.447 123 Y N 5.269 125.511 120.300 -0.098 0.000 2.350 123 Y HA 0.543 5.093 4.550 -0.001 0.000 0.340 123 Y C 0.025 175.988 175.900 0.104 0.000 1.006 123 Y CA -0.647 57.460 58.100 0.012 0.000 1.166 123 Y CB 1.439 39.929 38.460 0.051 0.000 1.168 123 Y HN 0.567 nan 8.280 nan 0.000 0.502 124 L N 5.973 127.346 121.223 0.250 0.000 2.324 124 L HA 0.562 4.901 4.340 -0.001 0.000 0.274 124 L C -1.249 175.750 176.870 0.216 0.000 1.012 124 L CA -0.720 54.255 54.840 0.226 0.000 0.859 124 L CB 0.217 42.368 42.059 0.154 0.000 1.224 124 L HN 0.503 nan 8.230 nan 0.000 0.429 125 I N 4.113 124.824 120.570 0.235 0.000 2.287 125 I HA 0.295 4.464 4.170 -0.001 0.000 0.290 125 I C -0.301 175.894 176.117 0.131 0.000 1.069 125 I CA -0.307 61.094 61.300 0.168 0.000 1.237 125 I CB 0.600 38.694 38.000 0.157 0.000 1.418 125 I HN 0.547 nan 8.210 nan 0.000 0.481 126 D N 6.211 126.669 120.400 0.096 0.000 2.175 126 D HA 0.190 4.829 4.640 -0.001 0.000 0.248 126 D C 0.153 176.470 176.300 0.027 0.000 1.047 126 D CA 0.315 54.363 54.000 0.081 0.000 0.883 126 D CB 0.885 41.728 40.800 0.072 0.000 1.180 126 D HN 0.366 nan 8.370 nan 0.000 0.438 127 E N 1.367 121.583 120.200 0.025 0.000 2.358 127 E HA -0.140 4.209 4.350 -0.001 0.000 0.246 127 E C 0.601 177.023 176.600 -0.297 0.000 1.127 127 E CA 0.181 56.520 56.400 -0.101 0.000 0.726 127 E CB -1.825 27.817 29.700 -0.095 0.000 1.272 127 E HN 0.261 nan 8.360 nan 0.000 0.390 128 V N 1.252 121.116 119.914 -0.083 0.000 3.380 128 V HA -0.137 3.982 4.120 -0.001 0.000 0.268 128 V C 2.181 178.309 176.094 0.057 0.000 1.168 128 V CA 1.796 64.092 62.300 -0.006 0.000 1.156 128 V CB -0.498 31.407 31.823 0.137 0.000 0.785 128 V HN 0.585 nan 8.190 nan 0.000 0.487 129 H N -2.345 116.836 119.070 0.185 0.000 2.556 129 H HA 0.085 4.640 4.556 -0.001 0.000 0.268 129 H C 1.667 177.109 175.328 0.191 0.000 0.996 129 H CA 0.297 56.499 56.048 0.257 0.000 1.157 129 H CB -0.045 29.813 29.762 0.160 0.000 1.355 129 H HN 0.351 nan 8.280 nan 0.000 0.597 130 M N 1.110 120.569 119.600 -0.235 0.000 2.510 130 M HA 0.184 4.664 4.480 -0.001 0.000 0.256 130 M C 0.809 177.023 176.300 -0.143 0.000 1.132 130 M CA -0.065 55.159 55.300 -0.127 0.000 1.105 130 M CB 0.002 32.473 32.600 -0.215 0.000 1.375 130 M HN 0.164 nan 8.290 nan 0.000 0.477 131 L N 2.004 123.032 121.223 -0.326 0.000 2.525 131 L HA -0.026 4.313 4.340 -0.001 0.000 0.278 131 L C 1.128 177.719 176.870 -0.465 0.000 1.218 131 L CA -0.288 54.235 54.840 -0.528 0.000 0.878 131 L CB -0.009 41.440 42.059 -1.016 0.000 1.127 131 L HN 0.309 nan 8.230 nan 0.000 0.492 132 S N 3.291 118.844 115.700 -0.246 0.000 2.563 132 S HA -0.051 4.418 4.470 -0.001 0.000 0.269 132 S C 1.134 175.736 174.600 0.003 0.000 1.364 132 S CA -0.198 57.959 58.200 -0.070 0.000 1.010 132 S CB 0.738 63.928 63.200 -0.017 0.000 0.877 132 S HN 0.769 nan 8.310 nan 0.000 0.549 133 R N 0.219 120.820 120.500 0.168 0.000 2.096 133 R HA -0.153 4.187 4.340 -0.001 0.000 0.235 133 R C 2.103 178.506 176.300 0.172 0.000 1.127 133 R CA 1.592 57.845 56.100 0.254 0.000 0.968 133 R CB -0.565 29.845 30.300 0.184 0.000 0.861 133 R HN 0.873 nan 8.270 nan 0.000 0.440 134 H N -0.495 118.596 119.070 0.036 0.000 2.387 134 H HA -0.077 4.478 4.556 -0.001 0.000 0.299 134 H C 2.038 177.357 175.328 -0.016 0.000 1.090 134 H CA 1.953 58.006 56.048 0.009 0.000 1.332 134 H CB 0.226 29.982 29.762 -0.010 0.000 1.386 134 H HN 0.395 nan 8.280 nan 0.000 0.516 135 S N -0.549 115.163 115.700 0.021 0.000 2.524 135 S HA 0.008 4.478 4.470 -0.001 0.000 0.216 135 S C 1.886 176.419 174.600 -0.112 0.000 0.987 135 S CA -0.308 57.849 58.200 -0.071 0.000 0.909 135 S CB -0.524 62.601 63.200 -0.126 0.000 0.781 135 S HN 0.191 nan 8.310 nan 0.000 0.521 136 F N 3.179 123.108 119.950 -0.035 0.000 2.075 136 F HA -0.063 4.464 4.527 -0.001 0.000 0.297 136 F C 2.683 178.435 175.800 -0.081 0.000 1.113 136 F CA 1.291 59.256 58.000 -0.059 0.000 1.218 136 F CB -0.410 38.564 39.000 -0.043 0.000 0.984 136 F HN 0.260 nan 8.300 nan 0.000 0.472 137 N N 0.529 119.306 118.700 0.128 0.000 2.205 137 N HA -0.190 4.549 4.740 -0.001 0.000 0.186 137 N C 1.962 177.461 175.510 -0.019 0.000 1.015 137 N CA 1.175 54.234 53.050 0.015 0.000 0.862 137 N CB -0.471 37.987 38.487 -0.048 0.000 0.986 137 N HN 0.262 nan 8.380 nan 0.000 0.429 138 A N 2.071 124.876 122.820 -0.025 0.000 1.917 138 A HA -0.102 4.218 4.320 -0.001 0.000 0.219 138 A C 2.234 179.779 177.584 -0.065 0.000 1.182 138 A CA 0.967 52.979 52.037 -0.043 0.000 0.633 138 A CB -0.759 18.215 19.000 -0.044 0.000 0.819 138 A HN 0.212 nan 8.150 nan 0.000 0.448 139 L N -0.560 120.621 121.223 -0.070 0.000 2.450 139 L HA -0.118 4.222 4.340 -0.001 0.000 0.224 139 L C 2.329 179.121 176.870 -0.130 0.000 1.149 139 L CA 0.421 55.181 54.840 -0.134 0.000 0.816 139 L CB -0.447 41.540 42.059 -0.120 0.000 0.932 139 L HN 0.454 nan 8.230 nan 0.000 0.449 140 L N -0.291 120.891 121.223 -0.070 0.000 1.973 140 L HA -0.223 4.117 4.340 -0.001 0.000 0.208 140 L C 2.494 179.331 176.870 -0.055 0.000 1.073 140 L CA 1.563 56.370 54.840 -0.055 0.000 0.746 140 L CB -0.263 41.774 42.059 -0.037 0.000 0.891 140 L HN 0.188 nan 8.230 nan 0.000 0.433 141 K N -1.056 119.316 120.400 -0.048 0.000 2.288 141 K HA -0.060 4.260 4.320 -0.001 0.000 0.201 141 K C 1.813 178.387 176.600 -0.042 0.000 1.048 141 K CA 1.205 57.471 56.287 -0.036 0.000 0.956 141 K CB 0.009 32.493 32.500 -0.026 0.000 0.746 141 K HN 0.280 nan 8.250 nan 0.000 0.461 142 T N 1.144 115.659 114.554 -0.064 0.000 3.055 142 T HA -0.023 4.327 4.350 -0.001 0.000 0.265 142 T C 1.390 176.053 174.700 -0.061 0.000 1.111 142 T CA 0.565 62.636 62.100 -0.048 0.000 1.118 142 T CB 0.105 68.943 68.868 -0.051 0.000 0.909 142 T HN 0.058 nan 8.240 nan 0.000 0.501 143 L N 0.668 121.815 121.223 -0.127 0.000 2.585 143 L HA 0.341 4.681 4.340 -0.001 0.000 0.226 143 L C 2.088 178.984 176.870 0.044 0.000 1.113 143 L CA 0.772 55.537 54.840 -0.124 0.000 0.876 143 L CB 0.041 41.957 42.059 -0.238 0.000 1.072 143 L HN 0.165 nan 8.230 nan 0.000 0.468 144 E N -0.098 120.105 120.200 0.004 0.000 2.251 144 E HA -0.000 4.349 4.350 -0.001 0.000 0.194 144 E C -0.003 176.561 176.600 -0.060 0.000 0.964 144 E CA 0.406 56.843 56.400 0.061 0.000 0.868 144 E CB 0.332 30.052 29.700 0.034 0.000 0.828 144 E HN 0.491 nan 8.360 nan 0.000 0.481 145 E N 1.510 121.636 120.200 -0.123 0.000 3.626 145 E HA 0.239 4.589 4.350 -0.001 0.000 0.245 145 E C -2.493 174.045 176.600 -0.103 0.000 1.236 145 E CA -1.519 54.801 56.400 -0.132 0.000 1.072 145 E CB 1.630 31.304 29.700 -0.044 0.000 1.309 145 E HN 0.203 nan 8.360 nan 0.000 0.400 146 P HA 0.238 nan 4.420 nan 0.000 0.286 146 P C -2.515 174.790 177.300 0.009 0.000 1.293 146 P CA -1.114 61.974 63.100 -0.019 0.000 0.770 146 P CB -0.087 31.610 31.700 -0.005 0.000 1.206 147 P HA 0.281 nan 4.420 nan 0.000 0.287 147 P C 0.407 177.813 177.300 0.176 0.000 1.270 147 P CA -0.396 62.791 63.100 0.145 0.000 0.844 147 P CB 0.830 32.696 31.700 0.276 0.000 1.068 148 E N 0.443 120.790 120.200 0.245 0.000 2.136 148 E HA -0.271 4.078 4.350 -0.001 0.000 0.202 148 E C 1.256 178.057 176.600 0.335 0.000 1.019 148 E CA 1.475 58.024 56.400 0.249 0.000 0.819 148 E CB -0.258 29.561 29.700 0.198 0.000 0.739 148 E HN 0.629 nan 8.360 nan 0.000 0.458 149 H N -1.042 118.129 119.070 0.168 0.000 2.536 149 H HA 0.220 4.775 4.556 -0.001 0.000 0.276 149 H C -0.064 175.433 175.328 0.282 0.000 1.019 149 H CA -0.005 56.164 56.048 0.203 0.000 1.159 149 H CB -0.499 29.299 29.762 0.060 0.000 1.373 149 H HN -0.126 nan 8.280 nan 0.000 0.584 150 V N 2.064 121.875 119.914 -0.172 0.000 2.513 150 V HA 0.349 4.468 4.120 -0.001 0.000 0.299 150 V C -0.158 175.872 176.094 -0.106 0.000 1.035 150 V CA -0.890 61.278 62.300 -0.221 0.000 0.889 150 V CB 2.131 33.769 31.823 -0.309 0.000 0.988 150 V HN 0.204 nan 8.190 nan 0.000 0.440 151 K N 3.559 123.839 120.400 -0.199 0.000 2.422 151 K HA 0.598 4.917 4.320 -0.001 0.000 0.251 151 K C -1.595 174.853 176.600 -0.254 0.000 0.933 151 K CA -0.462 55.744 56.287 -0.135 0.000 0.798 151 K CB 2.641 35.072 32.500 -0.115 0.000 1.238 151 K HN 0.415 nan 8.250 nan 0.000 0.428 152 F N 2.109 122.209 119.950 0.250 0.000 2.411 152 F HA 0.401 4.928 4.527 -0.001 0.000 0.352 152 F C 0.274 176.219 175.800 0.241 0.000 1.123 152 F CA -0.741 57.405 58.000 0.244 0.000 1.044 152 F CB 1.022 40.140 39.000 0.196 0.000 1.135 152 F HN 0.094 nan 8.300 nan 0.000 0.461 153 L N 5.744 127.203 121.223 0.393 0.000 2.301 153 L HA 0.414 4.754 4.340 -0.001 0.000 0.278 153 L C -1.031 176.036 176.870 0.329 0.000 1.022 153 L CA -0.712 54.337 54.840 0.348 0.000 0.854 153 L CB 0.888 43.126 42.059 0.298 0.000 1.226 153 L HN 0.398 nan 8.230 nan 0.000 0.429 154 L N 3.207 124.598 121.223 0.280 0.000 2.309 154 L HA 0.799 5.138 4.340 -0.001 0.000 0.282 154 L C 0.156 177.186 176.870 0.266 0.000 1.036 154 L CA 0.022 55.001 54.840 0.232 0.000 0.806 154 L CB 1.756 43.911 42.059 0.161 0.000 1.220 154 L HN 0.647 nan 8.230 nan 0.000 0.429 155 A N 1.652 124.619 122.820 0.244 0.000 2.515 155 A HA 0.880 5.199 4.320 -0.001 0.000 0.298 155 A C -0.687 177.022 177.584 0.209 0.000 1.059 155 A CA -0.433 51.763 52.037 0.265 0.000 0.698 155 A CB 2.040 21.200 19.000 0.267 0.000 1.289 155 A HN 0.548 nan 8.150 nan 0.000 0.404 156 T N -0.506 114.176 114.554 0.213 0.000 2.830 156 T HA 0.475 4.825 4.350 -0.001 0.000 0.322 156 T C 0.845 175.655 174.700 0.182 0.000 1.501 156 T CA 0.458 62.709 62.100 0.252 0.000 1.036 156 T CB 1.171 70.232 68.868 0.322 0.000 1.379 156 T HN 0.723 nan 8.240 nan 0.000 0.493 157 T N 1.423 116.081 114.554 0.174 0.000 2.809 157 T HA 0.101 4.451 4.350 -0.001 0.000 0.260 157 T C 0.254 174.969 174.700 0.024 0.000 1.039 157 T CA 0.964 63.099 62.100 0.059 0.000 1.141 157 T CB -0.251 68.626 68.868 0.014 0.000 0.869 157 T HN 0.776 nan 8.240 nan 0.000 0.437 158 D N 1.177 121.552 120.400 -0.042 0.000 2.408 158 D HA 0.304 4.943 4.640 -0.001 0.000 0.243 158 D C -2.614 173.717 176.300 0.051 0.000 1.075 158 D CA -2.651 51.348 54.000 -0.001 0.000 0.832 158 D CB 1.952 42.717 40.800 -0.058 0.000 1.162 158 D HN -0.021 nan 8.370 nan 0.000 0.515 159 P HA -0.074 nan 4.420 nan 0.000 0.222 159 P C 1.167 178.477 177.300 0.016 0.000 1.153 159 P CA 1.098 64.240 63.100 0.071 0.000 0.798 159 P CB 0.359 32.113 31.700 0.090 0.000 0.796 160 Q N -0.101 119.702 119.800 0.005 0.000 2.167 160 Q HA -0.142 4.198 4.340 -0.001 0.000 0.202 160 Q C 1.965 177.945 176.000 -0.033 0.000 0.970 160 Q CA 1.142 56.931 55.803 -0.023 0.000 0.855 160 Q CB -0.491 28.235 28.738 -0.020 0.000 0.911 160 Q HN 0.130 nan 8.270 nan 0.000 0.438 161 K N 0.504 120.903 120.400 -0.002 0.000 2.281 161 K HA -0.059 4.260 4.320 -0.001 0.000 0.203 161 K C 0.082 176.648 176.600 -0.057 0.000 1.046 161 K CA 0.593 56.895 56.287 0.026 0.000 0.938 161 K CB -0.048 32.523 32.500 0.117 0.000 0.737 161 K HN 0.134 nan 8.250 nan 0.000 0.458 162 L N 2.289 123.419 121.223 -0.154 0.000 2.331 162 L HA 0.227 4.567 4.340 -0.001 0.000 0.278 162 L C -2.072 174.551 176.870 -0.412 0.000 1.106 162 L CA -2.303 52.248 54.840 -0.482 0.000 0.824 162 L CB 0.177 42.041 42.059 -0.324 0.000 1.142 162 L HN -0.132 nan 8.230 nan 0.000 0.443 163 P HA -0.081 nan 4.420 nan 0.000 0.263 163 P C 1.063 178.228 177.300 -0.224 0.000 1.168 163 P CA -0.034 62.872 63.100 -0.323 0.000 0.759 163 P CB 0.545 32.035 31.700 -0.350 0.000 0.782 164 V N 2.566 122.392 119.914 -0.147 0.000 2.453 164 V HA -0.288 3.832 4.120 -0.001 0.000 0.252 164 V C 2.246 178.276 176.094 -0.107 0.000 1.068 164 V CA 2.634 64.866 62.300 -0.113 0.000 1.070 164 V CB -2.071 29.702 31.823 -0.084 0.000 0.664 164 V HN 0.689 nan 8.190 nan 0.000 0.461 165 T N -0.872 113.619 114.554 -0.106 0.000 2.803 165 T HA -0.155 4.194 4.350 -0.001 0.000 0.269 165 T C 1.814 176.458 174.700 -0.092 0.000 1.052 165 T CA 1.583 63.632 62.100 -0.085 0.000 1.136 165 T CB -0.322 68.504 68.868 -0.071 0.000 0.864 165 T HN 0.335 nan 8.240 nan 0.000 0.467 166 I N 1.151 121.641 120.570 -0.134 0.000 2.235 166 I HA 0.016 4.185 4.170 -0.001 0.000 0.241 166 I C 2.623 178.675 176.117 -0.108 0.000 1.085 166 I CA 0.826 62.054 61.300 -0.120 0.000 1.378 166 I CB -1.093 36.809 38.000 -0.164 0.000 1.076 166 I HN 0.261 nan 8.210 nan 0.000 0.415 167 L N 1.047 122.195 121.223 -0.125 0.000 1.991 167 L HA -0.323 4.017 4.340 -0.001 0.000 0.221 167 L C 2.801 179.605 176.870 -0.111 0.000 1.079 167 L CA 2.261 57.032 54.840 -0.114 0.000 0.778 167 L CB -0.904 41.090 42.059 -0.108 0.000 0.893 167 L HN 0.361 nan 8.230 nan 0.000 0.437 168 S N -0.338 115.307 115.700 -0.091 0.000 2.461 168 S HA -0.251 4.219 4.470 -0.001 0.000 0.246 168 S C 1.941 176.502 174.600 -0.064 0.000 1.007 168 S CA 1.422 59.577 58.200 -0.075 0.000 0.976 168 S CB -0.386 62.780 63.200 -0.056 0.000 0.763 168 S HN 0.409 nan 8.310 nan 0.000 0.508 169 R N -0.278 120.184 120.500 -0.065 0.000 2.312 169 R HA 0.260 4.600 4.340 -0.001 0.000 0.205 169 R C 0.128 176.385 176.300 -0.071 0.000 0.904 169 R CA 0.554 56.644 56.100 -0.016 0.000 1.052 169 R CB 0.240 30.546 30.300 0.009 0.000 1.014 169 R HN 0.661 nan 8.270 nan 0.000 0.503 170 C N -1.850 117.322 119.300 -0.214 0.000 3.171 170 C HA 0.499 4.959 4.460 -0.001 0.000 0.308 170 C C -0.153 174.496 174.990 -0.568 0.000 1.334 170 C CA -1.666 57.079 59.018 -0.455 0.000 1.473 170 C CB 0.798 28.362 27.740 -0.293 0.000 1.866 170 C HN 0.025 nan 8.230 nan 0.000 0.465 171 L N 2.040 122.763 121.223 -0.833 0.000 2.360 171 L HA 0.283 4.623 4.340 -0.001 0.000 0.276 171 L C 0.063 176.588 176.870 -0.576 0.000 1.121 171 L CA 0.547 54.952 54.840 -0.725 0.000 0.845 171 L CB 0.562 42.128 42.059 -0.822 0.000 1.143 171 L HN 0.799 nan 8.230 nan 0.000 0.452 172 Q N 4.400 123.890 119.800 -0.518 0.000 2.372 172 Q HA 0.417 4.756 4.340 -0.001 0.000 0.259 172 Q C -1.347 174.424 176.000 -0.382 0.000 0.993 172 Q CA -0.417 55.188 55.803 -0.329 0.000 0.854 172 Q CB 1.166 29.806 28.738 -0.163 0.000 1.231 172 Q HN 0.339 nan 8.270 nan 0.000 0.462 173 F N 1.721 121.657 119.950 -0.023 0.000 2.371 173 F HA 0.192 4.719 4.527 -0.001 0.000 0.363 173 F C 0.195 176.144 175.800 0.247 0.000 1.122 173 F CA -0.747 57.341 58.000 0.146 0.000 1.129 173 F CB 0.701 39.823 39.000 0.203 0.000 1.173 173 F HN 0.588 nan 8.300 nan 0.000 0.489 174 H N 4.412 123.684 119.070 0.335 0.000 2.640 174 H HA 0.455 5.011 4.556 -0.001 0.000 0.297 174 H C -0.526 175.026 175.328 0.373 0.000 1.073 174 H CA -0.502 55.711 56.048 0.274 0.000 1.305 174 H CB 0.554 30.400 29.762 0.139 0.000 1.404 174 H HN 0.489 nan 8.280 nan 0.000 0.459 175 L N 4.673 125.948 121.223 0.086 0.000 2.380 175 L HA 0.260 4.599 4.340 -0.001 0.000 0.273 175 L C 0.387 177.335 176.870 0.130 0.000 1.138 175 L CA -0.354 54.577 54.840 0.152 0.000 0.832 175 L CB 0.634 42.699 42.059 0.011 0.000 1.124 175 L HN 0.546 nan 8.230 nan 0.000 0.454 176 K N 1.690 122.231 120.400 0.234 0.000 2.098 176 K HA 0.616 4.936 4.320 -0.001 0.000 0.257 176 K C -0.047 176.606 176.600 0.089 0.000 0.999 176 K CA -0.669 55.713 56.287 0.157 0.000 0.924 176 K CB 1.420 33.994 32.500 0.123 0.000 1.028 176 K HN 0.729 nan 8.250 nan 0.000 0.466 177 A N 2.028 124.888 122.820 0.068 0.000 2.332 177 A HA 0.326 4.646 4.320 -0.001 0.000 0.258 177 A C -0.194 177.409 177.584 0.032 0.000 1.087 177 A CA -0.535 51.526 52.037 0.040 0.000 0.802 177 A CB 0.036 19.058 19.000 0.037 0.000 1.042 177 A HN 0.604 nan 8.150 nan 0.000 0.489 178 L N 1.377 122.611 121.223 0.018 0.000 2.326 178 L HA 0.254 4.594 4.340 -0.001 0.000 0.278 178 L C -0.213 176.663 176.870 0.011 0.000 1.092 178 L CA -0.613 54.233 54.840 0.011 0.000 0.810 178 L CB 0.585 42.643 42.059 -0.001 0.000 1.153 178 L HN 0.635 nan 8.230 nan 0.000 0.439 179 D N 0.737 121.144 120.400 0.011 0.000 2.382 179 D HA 0.043 4.682 4.640 -0.001 0.000 0.240 179 D C 1.201 177.506 176.300 0.008 0.000 1.146 179 D CA -0.196 53.810 54.000 0.011 0.000 0.897 179 D CB 1.326 42.133 40.800 0.011 0.000 1.197 179 D HN 0.251 nan 8.370 nan 0.000 0.432 180 V N 1.443 121.363 119.914 0.009 0.000 2.313 180 V HA -0.306 3.814 4.120 -0.001 0.000 0.253 180 V C 2.167 178.265 176.094 0.007 0.000 1.070 180 V CA 2.162 64.466 62.300 0.005 0.000 1.057 180 V CB -0.669 31.158 31.823 0.006 0.000 0.653 180 V HN 0.599 nan 8.190 nan 0.000 0.450 181 E N 0.663 120.871 120.200 0.014 0.000 2.017 181 E HA -0.245 4.105 4.350 -0.001 0.000 0.193 181 E C 2.252 178.877 176.600 0.042 0.000 0.997 181 E CA 1.887 58.304 56.400 0.027 0.000 0.804 181 E CB -0.522 29.197 29.700 0.032 0.000 0.757 181 E HN 0.674 nan 8.360 nan 0.000 0.448 182 Q N -0.119 119.695 119.800 0.024 0.000 2.112 182 Q HA -0.178 4.162 4.340 -0.001 0.000 0.206 182 Q C 2.386 178.395 176.000 0.014 0.000 0.987 182 Q CA 1.899 57.708 55.803 0.011 0.000 0.858 182 Q CB -0.267 28.464 28.738 -0.011 0.000 0.905 182 Q HN 0.418 nan 8.270 nan 0.000 0.420 183 I N 0.070 120.642 120.570 0.004 0.000 2.142 183 I HA -0.314 3.856 4.170 -0.001 0.000 0.240 183 I C 2.607 178.716 176.117 -0.014 0.000 1.078 183 I CA 1.259 62.553 61.300 -0.010 0.000 1.343 183 I CB -0.508 37.482 38.000 -0.015 0.000 1.046 183 I HN 0.267 nan 8.210 nan 0.000 0.405 184 R N 0.050 120.544 120.500 -0.011 0.000 2.103 184 R HA -0.264 4.076 4.340 -0.001 0.000 0.234 184 R C 2.607 178.886 176.300 -0.034 0.000 1.132 184 R CA 1.955 58.031 56.100 -0.040 0.000 0.925 184 R CB -0.634 29.643 30.300 -0.037 0.000 0.842 184 R HN 0.384 nan 8.270 nan 0.000 0.430 185 H N 0.358 119.388 119.070 -0.068 0.000 2.325 185 H HA -0.239 4.317 4.556 -0.001 0.000 0.293 185 H C 2.064 177.349 175.328 -0.071 0.000 1.106 185 H CA 2.529 58.539 56.048 -0.063 0.000 1.247 185 H CB -0.023 29.707 29.762 -0.053 0.000 1.359 185 H HN 0.282 nan 8.280 nan 0.000 0.488 186 Q N 0.407 120.266 119.800 0.097 0.000 1.990 186 Q HA -0.065 4.274 4.340 -0.001 0.000 0.200 186 Q C 2.814 178.771 176.000 -0.072 0.000 0.980 186 Q CA 1.418 57.230 55.803 0.015 0.000 0.832 186 Q CB -0.563 28.157 28.738 -0.030 0.000 0.897 186 Q HN 0.456 nan 8.270 nan 0.000 0.427 187 L N 0.525 121.684 121.223 -0.108 0.000 2.137 187 L HA -0.279 4.060 4.340 -0.001 0.000 0.213 187 L C 2.414 179.144 176.870 -0.233 0.000 1.085 187 L CA 1.966 56.703 54.840 -0.172 0.000 0.760 187 L CB -0.539 41.430 42.059 -0.149 0.000 0.893 187 L HN 0.510 nan 8.230 nan 0.000 0.434 188 E N -0.780 119.289 120.200 -0.218 0.000 2.005 188 E HA -0.249 4.101 4.350 -0.001 0.000 0.191 188 E C 2.201 178.692 176.600 -0.181 0.000 0.987 188 E CA 0.843 57.074 56.400 -0.281 0.000 0.814 188 E CB -0.161 29.380 29.700 -0.265 0.000 0.772 188 E HN 0.416 nan 8.360 nan 0.000 0.453 189 H N 0.835 119.794 119.070 -0.185 0.000 2.330 189 H HA -0.216 4.340 4.556 -0.001 0.000 0.290 189 H C 2.171 177.319 175.328 -0.299 0.000 1.111 189 H CA 2.234 58.185 56.048 -0.162 0.000 1.226 189 H CB -0.209 29.503 29.762 -0.082 0.000 1.355 189 H HN 0.238 nan 8.280 nan 0.000 0.485 190 I N 0.512 120.795 120.570 -0.477 0.000 2.179 190 I HA -0.302 3.867 4.170 -0.001 0.000 0.242 190 I C 2.825 178.637 176.117 -0.508 0.000 1.088 190 I CA 0.921 61.707 61.300 -0.856 0.000 1.357 190 I CB -0.309 37.129 38.000 -0.937 0.000 1.051 190 I HN 0.238 nan 8.210 nan 0.000 0.409 191 L N 0.481 121.511 121.223 -0.322 0.000 2.131 191 L HA -0.204 4.135 4.340 -0.001 0.000 0.210 191 L C 2.318 179.110 176.870 -0.130 0.000 1.092 191 L CA 1.040 55.781 54.840 -0.165 0.000 0.759 191 L CB -0.736 41.265 42.059 -0.096 0.000 0.903 191 L HN 0.344 nan 8.230 nan 0.000 0.435 192 N N 0.066 118.660 118.700 -0.176 0.000 2.022 192 N HA -0.184 4.556 4.740 -0.001 0.000 0.195 192 N C 1.664 176.938 175.510 -0.393 0.000 1.063 192 N CA 1.130 54.041 53.050 -0.231 0.000 0.851 192 N CB -0.483 37.894 38.487 -0.184 0.000 1.050 192 N HN 0.180 nan 8.380 nan 0.000 0.425 193 E N 0.995 120.979 120.200 -0.360 0.000 2.164 193 E HA -0.212 4.138 4.350 -0.001 0.000 0.206 193 E C 1.024 177.624 176.600 -0.000 0.000 1.032 193 E CA 1.078 57.361 56.400 -0.193 0.000 0.832 193 E CB -0.164 29.471 29.700 -0.108 0.000 0.742 193 E HN 0.465 nan 8.360 nan 0.000 0.460 194 E N 0.108 120.316 120.200 0.013 0.000 2.476 194 E HA -0.032 4.318 4.350 -0.001 0.000 0.191 194 E C -0.542 176.155 176.600 0.161 0.000 1.064 194 E CA -0.154 56.341 56.400 0.159 0.000 0.866 194 E CB -0.102 29.685 29.700 0.143 0.000 0.952 194 E HN 0.360 nan 8.360 nan 0.000 0.492 195 H N 0.181 119.271 119.070 0.033 0.000 2.542 195 H HA -0.191 4.364 4.556 -0.001 0.000 0.313 195 H C -0.165 175.173 175.328 0.018 0.000 0.960 195 H CA 0.683 56.742 56.048 0.019 0.000 1.032 195 H CB -1.383 28.389 29.762 0.016 0.000 1.620 195 H HN 0.199 nan 8.280 nan 0.000 0.346 196 I N 1.041 121.649 120.570 0.064 0.000 2.529 196 I HA 0.273 4.443 4.170 -0.001 0.000 0.284 196 I C 0.673 176.816 176.117 0.043 0.000 1.088 196 I CA -0.602 60.731 61.300 0.055 0.000 1.062 196 I CB 1.804 39.833 38.000 0.048 0.000 1.218 196 I HN 0.472 nan 8.210 nan 0.000 0.442 197 A N 5.804 128.627 122.820 0.005 0.000 2.565 197 A HA 0.273 4.593 4.320 -0.001 0.000 0.237 197 A C -0.305 177.270 177.584 -0.015 0.000 1.053 197 A CA 0.776 52.776 52.037 -0.062 0.000 0.755 197 A CB -0.396 18.577 19.000 -0.046 0.000 0.980 197 A HN 0.891 nan 8.150 nan 0.000 0.506 198 H N -0.750 118.300 119.070 -0.033 0.000 2.974 198 H HA 0.656 5.212 4.556 -0.001 0.000 0.366 198 H C -1.159 174.148 175.328 -0.035 0.000 1.155 198 H CA -0.875 55.151 56.048 -0.037 0.000 1.186 198 H CB 0.593 30.325 29.762 -0.051 0.000 1.799 198 H HN 0.563 nan 8.280 nan 0.000 0.541 199 E N 4.125 124.404 120.200 0.131 0.000 2.259 199 E HA 0.118 4.468 4.350 -0.001 0.000 0.281 199 E C -1.552 175.145 176.600 0.162 0.000 1.027 199 E CA -2.078 54.377 56.400 0.091 0.000 0.838 199 E CB 1.324 31.047 29.700 0.038 0.000 1.066 199 E HN 0.567 nan 8.360 nan 0.000 0.401 200 P HA -0.278 nan 4.420 nan 0.000 0.216 200 P C 1.240 178.556 177.300 0.027 0.000 1.154 200 P CA 1.442 64.600 63.100 0.098 0.000 0.865 200 P CB 0.275 32.008 31.700 0.055 0.000 0.789 201 R N 0.122 120.634 120.500 0.020 0.000 2.092 201 R HA -0.009 4.331 4.340 -0.001 0.000 0.231 201 R C 2.411 178.708 176.300 -0.005 0.000 1.119 201 R CA 1.350 57.451 56.100 0.002 0.000 0.970 201 R CB -0.867 29.435 30.300 0.003 0.000 0.864 201 R HN 0.049 nan 8.270 nan 0.000 0.440 202 A N 0.956 123.779 122.820 0.004 0.000 2.032 202 A HA -0.151 4.168 4.320 -0.001 0.000 0.221 202 A C 2.047 179.614 177.584 -0.029 0.000 1.165 202 A CA 1.253 53.286 52.037 -0.005 0.000 0.645 202 A CB -0.444 18.562 19.000 0.010 0.000 0.807 202 A HN 0.357 nan 8.150 nan 0.000 0.453 203 L N -1.870 119.324 121.223 -0.050 0.000 2.127 203 L HA -0.152 4.188 4.340 -0.001 0.000 0.203 203 L C 2.803 179.637 176.870 -0.060 0.000 1.080 203 L CA 1.262 56.049 54.840 -0.088 0.000 0.768 203 L CB -0.727 41.233 42.059 -0.165 0.000 0.924 203 L HN 0.431 nan 8.230 nan 0.000 0.444 204 Q N 0.184 119.958 119.800 -0.043 0.000 2.096 204 Q HA -0.217 4.122 4.340 -0.001 0.000 0.204 204 Q C 2.399 178.386 176.000 -0.021 0.000 0.982 204 Q CA 1.498 57.284 55.803 -0.028 0.000 0.850 204 Q CB -0.100 28.627 28.738 -0.018 0.000 0.901 204 Q HN 0.461 nan 8.270 nan 0.000 0.422 205 L N 0.081 121.292 121.223 -0.019 0.000 2.042 205 L HA -0.234 4.105 4.340 -0.001 0.000 0.210 205 L C 2.232 179.092 176.870 -0.017 0.000 1.076 205 L CA 1.046 55.878 54.840 -0.014 0.000 0.749 205 L CB -0.293 41.759 42.059 -0.012 0.000 0.893 205 L HN 0.337 nan 8.230 nan 0.000 0.432 206 L N -0.854 120.354 121.223 -0.026 0.000 2.023 206 L HA -0.156 4.184 4.340 -0.001 0.000 0.205 206 L C 2.839 179.693 176.870 -0.027 0.000 1.073 206 L CA 1.134 55.957 54.840 -0.028 0.000 0.745 206 L CB -0.671 41.364 42.059 -0.040 0.000 0.900 206 L HN 0.211 nan 8.230 nan 0.000 0.435 207 A N -0.132 122.669 122.820 -0.032 0.000 1.986 207 A HA -0.234 4.085 4.320 -0.001 0.000 0.220 207 A C 2.375 179.951 177.584 -0.014 0.000 1.171 207 A CA 1.611 53.633 52.037 -0.025 0.000 0.640 207 A CB -0.499 18.485 19.000 -0.027 0.000 0.811 207 A HN 0.334 nan 8.150 nan 0.000 0.451 208 R N -0.951 119.543 120.500 -0.011 0.000 2.057 208 R HA -0.008 4.331 4.340 -0.001 0.000 0.229 208 R C 2.411 178.710 176.300 -0.002 0.000 1.136 208 R CA 1.172 57.270 56.100 -0.003 0.000 0.952 208 R CB -0.610 29.690 30.300 0.001 0.000 0.848 208 R HN 0.481 nan 8.270 nan 0.000 0.430 209 A N 1.139 123.956 122.820 -0.005 0.000 2.225 209 A HA -0.036 4.283 4.320 -0.001 0.000 0.215 209 A C 2.113 179.695 177.584 -0.005 0.000 1.164 209 A CA 1.369 53.403 52.037 -0.005 0.000 0.710 209 A CB -0.373 18.623 19.000 -0.007 0.000 0.780 209 A HN 0.408 nan 8.150 nan 0.000 0.473 210 A N -0.575 122.241 122.820 -0.006 0.000 2.066 210 A HA 0.091 4.411 4.320 -0.001 0.000 0.218 210 A C 0.858 178.441 177.584 -0.001 0.000 1.157 210 A CA 0.891 52.924 52.037 -0.006 0.000 0.670 210 A CB -0.375 18.619 19.000 -0.010 0.000 0.804 210 A HN 0.624 nan 8.150 nan 0.000 0.453 211 E N -2.486 117.715 120.200 0.001 0.000 2.297 211 E HA -0.248 4.101 4.350 -0.001 0.000 0.228 211 E C 0.867 177.472 176.600 0.007 0.000 1.213 211 E CA 0.332 56.735 56.400 0.005 0.000 0.712 211 E CB -2.087 27.615 29.700 0.004 0.000 1.202 211 E HN 1.472 nan 8.360 nan 0.000 0.376 212 G N -0.328 108.476 108.800 0.006 0.000 2.253 212 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.251 212 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.251 212 G C 0.285 175.188 174.900 0.005 0.000 0.998 212 G CA 0.359 45.464 45.100 0.009 0.000 0.621 212 G HN 0.728 nan 8.290 nan 0.000 0.524 213 S N 0.511 116.212 115.700 0.002 0.000 2.438 213 S HA 0.564 5.033 4.470 -0.001 0.000 0.293 213 S C 1.369 175.966 174.600 -0.006 0.000 1.141 213 S CA -0.247 57.953 58.200 -0.000 0.000 1.080 213 S CB 1.013 64.214 63.200 0.003 0.000 0.978 213 S HN 0.631 nan 8.310 nan 0.000 0.479 214 L N 5.994 127.211 121.223 -0.009 0.000 2.191 214 L HA 0.087 4.427 4.340 -0.001 0.000 0.212 214 L C 2.352 179.217 176.870 -0.008 0.000 1.103 214 L CA 1.600 56.432 54.840 -0.013 0.000 0.769 214 L CB -0.983 41.066 42.059 -0.017 0.000 0.908 214 L HN 0.800 nan 8.230 nan 0.000 0.438 215 R N -0.633 119.865 120.500 -0.002 0.000 2.055 215 R HA -0.143 4.197 4.340 -0.001 0.000 0.228 215 R C 1.862 178.164 176.300 0.003 0.000 1.143 215 R CA 1.533 57.636 56.100 0.005 0.000 0.945 215 R CB -0.231 30.074 30.300 0.010 0.000 0.841 215 R HN 0.250 nan 8.270 nan 0.000 0.429 216 D N 0.492 120.893 120.400 0.002 0.000 2.200 216 D HA -0.244 4.395 4.640 -0.001 0.000 0.192 216 D C 1.651 177.948 176.300 -0.005 0.000 1.008 216 D CA 1.840 55.840 54.000 0.000 0.000 0.872 216 D CB -0.327 40.473 40.800 0.001 0.000 0.923 216 D HN 0.435 nan 8.370 nan 0.000 0.447 217 A N 0.262 123.075 122.820 -0.011 0.000 1.845 217 A HA -0.146 4.173 4.320 -0.001 0.000 0.215 217 A C 2.465 180.035 177.584 -0.024 0.000 1.195 217 A CA 1.240 53.264 52.037 -0.021 0.000 0.616 217 A CB -0.929 18.054 19.000 -0.029 0.000 0.832 217 A HN 0.252 nan 8.150 nan 0.000 0.443 218 L N -0.581 120.630 121.223 -0.020 0.000 2.083 218 L HA -0.164 4.176 4.340 -0.001 0.000 0.209 218 L C 2.865 179.733 176.870 -0.003 0.000 1.083 218 L CA 1.428 56.258 54.840 -0.017 0.000 0.752 218 L CB -0.376 41.683 42.059 0.000 0.000 0.899 218 L HN 0.336 nan 8.230 nan 0.000 0.433 219 S N -0.289 115.414 115.700 0.004 0.000 2.400 219 S HA -0.130 4.340 4.470 -0.001 0.000 0.232 219 S C 1.925 176.526 174.600 0.002 0.000 1.025 219 S CA 1.135 59.340 58.200 0.008 0.000 0.993 219 S CB -0.161 63.044 63.200 0.009 0.000 0.808 219 S HN 0.288 nan 8.310 nan 0.000 0.478 220 L N 0.601 121.821 121.223 -0.005 0.000 2.095 220 L HA -0.073 4.266 4.340 -0.001 0.000 0.204 220 L C 2.549 179.412 176.870 -0.012 0.000 1.080 220 L CA 1.155 55.990 54.840 -0.009 0.000 0.759 220 L CB -0.885 41.166 42.059 -0.012 0.000 0.914 220 L HN 0.326 nan 8.230 nan 0.000 0.439 221 T N -1.403 113.139 114.554 -0.020 0.000 2.746 221 T HA -0.196 4.154 4.350 -0.001 0.000 0.267 221 T C 1.434 176.128 174.700 -0.010 0.000 1.039 221 T CA 1.294 63.380 62.100 -0.024 0.000 1.142 221 T CB -0.281 68.561 68.868 -0.044 0.000 0.866 221 T HN 0.234 nan 8.240 nan 0.000 0.444 222 D N 1.616 122.015 120.400 -0.002 0.000 2.158 222 D HA -0.129 4.510 4.640 -0.001 0.000 0.197 222 D C 2.309 178.614 176.300 0.009 0.000 0.995 222 D CA 1.265 55.272 54.000 0.011 0.000 0.846 222 D CB -0.200 40.612 40.800 0.020 0.000 0.941 222 D HN 0.731 nan 8.370 nan 0.000 0.456 223 Q N -0.891 118.912 119.800 0.004 0.000 2.384 223 Q HA 0.328 4.668 4.340 -0.001 0.000 0.207 223 Q C 1.861 177.861 176.000 0.001 0.000 0.904 223 Q CA 0.557 56.362 55.803 0.004 0.000 0.933 223 Q CB 0.282 29.021 28.738 0.003 0.000 1.077 223 Q HN 0.064 nan 8.270 nan 0.000 0.522 224 A N 1.972 124.791 122.820 -0.002 0.000 1.858 224 A HA -0.121 4.198 4.320 -0.001 0.000 0.216 224 A C 2.093 179.679 177.584 0.002 0.000 1.190 224 A CA 1.367 53.402 52.037 -0.003 0.000 0.617 224 A CB -0.750 18.246 19.000 -0.008 0.000 0.827 224 A HN 0.399 nan 8.150 nan 0.000 0.443 225 I N -0.084 120.489 120.570 0.005 0.000 2.185 225 I HA -0.364 3.805 4.170 -0.001 0.000 0.246 225 I C 2.900 179.023 176.117 0.010 0.000 1.088 225 I CA 1.332 62.639 61.300 0.011 0.000 1.347 225 I CB -0.255 37.754 38.000 0.015 0.000 1.041 225 I HN 0.388 nan 8.210 nan 0.000 0.415 226 A N -0.927 121.898 122.820 0.009 0.000 1.929 226 A HA -0.163 4.156 4.320 -0.001 0.000 0.216 226 A C 2.461 180.048 177.584 0.005 0.000 1.176 226 A CA 1.881 53.922 52.037 0.008 0.000 0.628 226 A CB -0.591 18.414 19.000 0.008 0.000 0.816 226 A HN 0.342 nan 8.150 nan 0.000 0.444 227 S N -0.839 114.863 115.700 0.002 0.000 2.371 227 S HA 0.004 4.473 4.470 -0.001 0.000 0.224 227 S C 1.827 176.427 174.600 -0.001 0.000 1.029 227 S CA 1.264 59.464 58.200 -0.001 0.000 0.978 227 S CB -0.319 62.879 63.200 -0.003 0.000 0.833 227 S HN 0.697 nan 8.310 nan 0.000 0.466 228 G N -0.301 108.500 108.800 0.001 0.000 2.985 228 G HA2 0.102 4.062 3.960 -0.001 0.000 0.209 228 G HA3 0.102 4.062 3.960 -0.001 0.000 0.209 228 G C -0.226 174.676 174.900 0.003 0.000 1.165 228 G CA 0.259 45.360 45.100 0.002 0.000 0.776 228 G HN 0.447 nan 8.290 nan 0.000 0.541 229 D N -0.811 119.592 120.400 0.005 0.000 3.241 229 D HA -0.104 4.536 4.640 -0.001 0.000 0.248 229 D C 1.434 177.739 176.300 0.009 0.000 1.093 229 D CA 1.414 55.417 54.000 0.006 0.000 0.940 229 D CB -1.342 39.460 40.800 0.003 0.000 0.980 229 D HN 0.999 nan 8.370 nan 0.000 0.421 230 G N 1.453 110.260 108.800 0.013 0.000 2.189 230 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.267 230 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.267 230 G C 0.276 175.187 174.900 0.019 0.000 0.975 230 G CA 0.932 46.043 45.100 0.018 0.000 0.644 230 G HN 0.581 nan 8.290 nan 0.000 0.537 231 Q N -0.743 119.066 119.800 0.015 0.000 2.356 231 Q HA 0.566 4.906 4.340 -0.001 0.000 0.270 231 Q C -0.662 175.351 176.000 0.021 0.000 1.058 231 Q CA -0.802 55.010 55.803 0.016 0.000 0.802 231 Q CB 2.882 31.624 28.738 0.007 0.000 1.303 231 Q HN 0.112 nan 8.270 nan 0.000 0.444 232 V N 3.001 122.937 119.914 0.037 0.000 2.258 232 V HA 0.160 4.280 4.120 -0.001 0.000 0.258 232 V C -0.095 176.024 176.094 0.040 0.000 1.121 232 V CA -0.150 62.172 62.300 0.036 0.000 0.942 232 V CB 0.178 32.027 31.823 0.043 0.000 1.170 232 V HN 0.759 nan 8.190 nan 0.000 0.487 233 S N 2.092 117.804 115.700 0.020 0.000 2.651 233 S HA 0.374 4.844 4.470 -0.001 0.000 0.291 233 S C 1.140 175.745 174.600 0.008 0.000 1.141 233 S CA -0.371 57.838 58.200 0.014 0.000 1.027 233 S CB 1.693 64.896 63.200 0.005 0.000 1.043 233 S HN 0.460 nan 8.310 nan 0.000 0.530 234 T N 1.760 116.318 114.554 0.006 0.000 2.746 234 T HA -0.124 4.226 4.350 -0.001 0.000 0.267 234 T C 1.898 176.595 174.700 -0.005 0.000 1.039 234 T CA 1.434 63.535 62.100 0.001 0.000 1.142 234 T CB -0.370 68.498 68.868 0.001 0.000 0.866 234 T HN 0.566 nan 8.240 nan 0.000 0.444 235 Q N 1.011 120.808 119.800 -0.006 0.000 2.077 235 Q HA -0.081 4.259 4.340 -0.001 0.000 0.206 235 Q C 2.758 178.752 176.000 -0.011 0.000 0.989 235 Q CA 1.779 57.575 55.803 -0.010 0.000 0.853 235 Q CB -0.933 27.799 28.738 -0.011 0.000 0.907 235 Q HN 0.593 nan 8.270 nan 0.000 0.418 236 A N 0.496 123.312 122.820 -0.007 0.000 1.865 236 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 236 A C 2.499 180.078 177.584 -0.009 0.000 1.191 236 A CA 1.975 54.008 52.037 -0.007 0.000 0.623 236 A CB -0.837 18.161 19.000 -0.003 0.000 0.826 236 A HN 0.217 nan 8.150 nan 0.000 0.444 237 V N 0.897 120.806 119.914 -0.008 0.000 2.270 237 V HA -0.241 3.878 4.120 -0.001 0.000 0.245 237 V C 2.999 179.085 176.094 -0.013 0.000 1.043 237 V CA 2.462 64.756 62.300 -0.010 0.000 1.014 237 V CB -1.075 30.743 31.823 -0.010 0.000 0.645 237 V HN 0.791 nan 8.190 nan 0.000 0.447 238 S N 1.066 116.758 115.700 -0.013 0.000 2.383 238 S HA -0.139 4.331 4.470 -0.001 0.000 0.227 238 S C 2.128 176.715 174.600 -0.021 0.000 1.026 238 S CA 1.199 59.389 58.200 -0.016 0.000 0.981 238 S CB -0.712 62.479 63.200 -0.016 0.000 0.818 238 S HN 0.597 nan 8.310 nan 0.000 0.472 239 A N 3.696 126.503 122.820 -0.022 0.000 1.859 239 A HA -0.238 4.081 4.320 -0.001 0.000 0.218 239 A C 2.377 179.947 177.584 -0.023 0.000 1.242 239 A CA 2.512 54.535 52.037 -0.025 0.000 0.661 239 A CB -1.281 17.706 19.000 -0.021 0.000 0.842 239 A HN 0.732 nan 8.150 nan 0.000 0.455 240 M N -0.996 118.593 119.600 -0.018 0.000 2.255 240 M HA -0.115 4.364 4.480 -0.001 0.000 0.259 240 M C 1.280 177.570 176.300 -0.016 0.000 1.071 240 M CA 1.918 57.209 55.300 -0.016 0.000 1.074 240 M CB -0.279 32.314 32.600 -0.012 0.000 1.384 240 M HN 0.372 nan 8.290 nan 0.000 0.415 241 L N -0.314 120.899 121.223 -0.017 0.000 2.607 241 L HA 0.251 4.590 4.340 -0.001 0.000 0.228 241 L C 1.623 178.482 176.870 -0.018 0.000 1.123 241 L CA 0.478 55.309 54.840 -0.015 0.000 0.890 241 L CB -0.152 41.899 42.059 -0.013 0.000 1.103 241 L HN 0.751 nan 8.230 nan 0.000 0.468 242 G N -0.054 108.731 108.800 -0.025 0.000 2.328 242 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.256 242 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.256 242 G C 0.565 175.446 174.900 -0.032 0.000 1.014 242 G CA 0.624 45.705 45.100 -0.031 0.000 0.620 242 G HN 0.320 nan 8.290 nan 0.000 0.530 243 T N 2.555 117.095 114.554 -0.023 0.000 2.934 243 T HA 0.434 4.784 4.350 -0.001 0.000 0.306 243 T C 0.498 175.181 174.700 -0.029 0.000 1.042 243 T CA 0.512 62.599 62.100 -0.020 0.000 1.145 243 T CB 0.917 69.777 68.868 -0.014 0.000 0.982 243 T HN 0.512 nan 8.240 nan 0.000 0.544 244 L N 2.177 123.382 121.223 -0.031 0.000 2.352 244 L HA 0.557 4.896 4.340 -0.001 0.000 0.269 244 L C 0.331 177.187 176.870 -0.022 0.000 1.034 244 L CA -0.952 53.867 54.840 -0.035 0.000 0.806 244 L CB 0.262 42.293 42.059 -0.045 0.000 1.244 244 L HN 0.358 nan 8.230 nan 0.000 0.447 245 D N 0.288 120.676 120.400 -0.021 0.000 2.348 245 D HA 0.073 4.713 4.640 -0.001 0.000 0.253 245 D C 0.545 176.839 176.300 -0.011 0.000 1.161 245 D CA 0.142 54.134 54.000 -0.014 0.000 0.876 245 D CB 1.038 41.830 40.800 -0.012 0.000 1.160 245 D HN 0.533 nan 8.370 nan 0.000 0.459 246 D N 1.479 121.876 120.400 -0.006 0.000 2.351 246 D HA -0.151 4.489 4.640 -0.001 0.000 0.216 246 D C 1.332 177.631 176.300 -0.001 0.000 0.968 246 D CA 0.636 54.635 54.000 -0.002 0.000 0.899 246 D CB 0.175 40.976 40.800 0.002 0.000 0.907 246 D HN 0.552 nan 8.370 nan 0.000 0.514 247 D N -0.002 120.396 120.400 -0.003 0.000 2.084 247 D HA -0.224 4.416 4.640 -0.001 0.000 0.194 247 D C 1.937 178.236 176.300 -0.002 0.000 0.990 247 D CA 1.510 55.509 54.000 -0.002 0.000 0.826 247 D CB -0.118 40.681 40.800 -0.003 0.000 0.971 247 D HN 0.157 nan 8.370 nan 0.000 0.453 248 Q N -0.212 119.585 119.800 -0.004 0.000 2.234 248 Q HA -0.172 4.168 4.340 -0.001 0.000 0.206 248 Q C 1.783 177.785 176.000 0.002 0.000 0.980 248 Q CA 1.762 57.563 55.803 -0.003 0.000 0.869 248 Q CB -0.242 28.489 28.738 -0.010 0.000 0.912 248 Q HN 0.354 nan 8.270 nan 0.000 0.436 249 A N 0.683 123.504 122.820 0.003 0.000 1.840 249 A HA -0.104 4.216 4.320 -0.001 0.000 0.214 249 A C 1.985 179.576 177.584 0.013 0.000 1.198 249 A CA 1.159 53.202 52.037 0.011 0.000 0.608 249 A CB -0.971 18.037 19.000 0.012 0.000 0.839 249 A HN 0.480 nan 8.150 nan 0.000 0.443 250 L N 0.439 121.667 121.223 0.009 0.000 1.997 250 L HA -0.193 4.147 4.340 -0.001 0.000 0.216 250 L C 2.471 179.340 176.870 -0.002 0.000 1.074 250 L CA 2.698 57.541 54.840 0.005 0.000 0.763 250 L CB -1.124 40.938 42.059 0.004 0.000 0.890 250 L HN 0.335 nan 8.230 nan 0.000 0.434 251 S N -0.709 114.990 115.700 -0.001 0.000 2.389 251 S HA -0.221 4.248 4.470 -0.001 0.000 0.231 251 S C 1.816 176.412 174.600 -0.007 0.000 1.052 251 S CA 1.734 59.932 58.200 -0.004 0.000 1.053 251 S CB -0.570 62.630 63.200 -0.000 0.000 0.886 251 S HN 0.419 nan 8.310 nan 0.000 0.456 252 L N 1.557 122.780 121.223 0.000 0.000 2.027 252 L HA -0.009 4.331 4.340 -0.001 0.000 0.206 252 L C 2.240 179.096 176.870 -0.024 0.000 1.074 252 L CA 1.401 56.241 54.840 0.000 0.000 0.745 252 L CB -1.245 40.828 42.059 0.024 0.000 0.898 252 L HN 0.151 nan 8.230 nan 0.000 0.433 253 V N 0.111 120.009 119.914 -0.026 0.000 2.215 253 V HA -0.385 3.735 4.120 -0.001 0.000 0.249 253 V C 2.432 178.469 176.094 -0.094 0.000 1.054 253 V CA 2.176 64.438 62.300 -0.064 0.000 1.012 253 V CB -0.917 30.881 31.823 -0.042 0.000 0.639 253 V HN 0.478 nan 8.190 nan 0.000 0.448 254 E N 0.539 120.704 120.200 -0.058 0.000 2.095 254 E HA -0.374 3.975 4.350 -0.001 0.000 0.212 254 E C 2.247 178.814 176.600 -0.057 0.000 1.044 254 E CA 1.818 58.189 56.400 -0.049 0.000 0.857 254 E CB -0.536 29.150 29.700 -0.025 0.000 0.764 254 E HN 0.625 nan 8.360 nan 0.000 0.462 255 A N 1.099 123.890 122.820 -0.047 0.000 2.024 255 A HA -0.196 4.124 4.320 -0.001 0.000 0.220 255 A C 2.078 179.616 177.584 -0.077 0.000 1.164 255 A CA 1.741 53.750 52.037 -0.047 0.000 0.643 255 A CB -0.512 18.470 19.000 -0.030 0.000 0.806 255 A HN 0.351 nan 8.150 nan 0.000 0.451 256 M N 0.240 119.777 119.600 -0.104 0.000 2.248 256 M HA -0.061 4.419 4.480 -0.001 0.000 0.265 256 M C 2.059 178.244 176.300 -0.192 0.000 1.079 256 M CA 1.980 57.193 55.300 -0.146 0.000 1.150 256 M CB -0.213 32.299 32.600 -0.146 0.000 1.366 256 M HN 0.367 nan 8.290 nan 0.000 0.433 257 V N -0.945 118.845 119.914 -0.207 0.000 2.515 257 V HA -0.149 3.971 4.120 -0.001 0.000 0.250 257 V C 1.328 177.486 176.094 0.106 0.000 1.058 257 V CA 1.887 64.155 62.300 -0.053 0.000 1.064 257 V CB -1.259 30.509 31.823 -0.091 0.000 0.675 257 V HN 0.551 nan 8.190 nan 0.000 0.461 258 E N 0.913 121.111 120.200 -0.003 0.000 2.485 258 E HA 0.354 4.704 4.350 -0.001 0.000 0.194 258 E C 1.626 178.197 176.600 -0.048 0.000 1.098 258 E CA 0.521 56.928 56.400 0.011 0.000 0.878 258 E CB -0.176 29.520 29.700 -0.006 0.000 0.939 258 E HN 0.853 nan 8.360 nan 0.000 0.503 259 A N 2.071 124.769 122.820 -0.204 0.000 3.408 259 A HA -0.311 4.009 4.320 -0.001 0.000 0.269 259 A C 0.721 178.201 177.584 -0.173 0.000 1.124 259 A CA 1.441 53.256 52.037 -0.371 0.000 0.999 259 A CB -2.200 16.621 19.000 -0.299 0.000 1.067 259 A HN 0.547 nan 8.150 nan 0.000 0.815 260 N N 0.788 119.429 118.700 -0.099 0.000 2.405 260 N HA 0.436 5.175 4.740 -0.001 0.000 0.260 260 N C 1.067 176.544 175.510 -0.055 0.000 1.152 260 N CA 0.946 53.961 53.050 -0.059 0.000 0.948 260 N CB 0.634 39.102 38.487 -0.033 0.000 1.111 260 N HN 0.462 nan 8.380 nan 0.000 0.485 261 G N 2.935 111.708 108.800 -0.047 0.000 2.464 261 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.214 261 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.214 261 G C 0.966 175.853 174.900 -0.021 0.000 1.218 261 G CA 0.429 45.508 45.100 -0.035 0.000 0.794 261 G HN 0.722 nan 8.290 nan 0.000 0.542 262 E N -0.140 120.050 120.200 -0.016 0.000 2.132 262 E HA -0.337 4.012 4.350 -0.001 0.000 0.218 262 E C 2.509 179.106 176.600 -0.005 0.000 1.058 262 E CA 1.683 58.078 56.400 -0.009 0.000 0.882 262 E CB -0.192 29.503 29.700 -0.007 0.000 0.774 262 E HN 0.363 nan 8.360 nan 0.000 0.467 263 R N 0.414 120.909 120.500 -0.009 0.000 2.075 263 R HA -0.130 4.210 4.340 -0.001 0.000 0.232 263 R C 2.389 178.688 176.300 -0.001 0.000 1.126 263 R CA 1.163 57.260 56.100 -0.005 0.000 0.963 263 R CB -0.092 30.202 30.300 -0.010 0.000 0.858 263 R HN 0.025 nan 8.270 nan 0.000 0.435 264 V N 0.846 120.754 119.914 -0.009 0.000 2.233 264 V HA -0.335 3.785 4.120 -0.001 0.000 0.247 264 V C 2.448 178.550 176.094 0.013 0.000 1.050 264 V CA 1.775 64.073 62.300 -0.002 0.000 1.010 264 V CB -0.436 31.379 31.823 -0.014 0.000 0.637 264 V HN 0.346 nan 8.190 nan 0.000 0.444 265 M N -0.152 119.452 119.600 0.006 0.000 2.086 265 M HA -0.102 4.378 4.480 -0.001 0.000 0.261 265 M C 2.376 178.691 176.300 0.025 0.000 1.067 265 M CA 2.178 57.485 55.300 0.011 0.000 1.116 265 M CB -1.741 30.859 32.600 0.001 0.000 1.348 265 M HN 0.401 nan 8.290 nan 0.000 0.407 266 A N 0.051 122.882 122.820 0.020 0.000 1.859 266 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 266 A C 2.336 179.943 177.584 0.039 0.000 1.198 266 A CA 1.690 53.743 52.037 0.025 0.000 0.629 266 A CB -1.229 17.781 19.000 0.016 0.000 0.830 266 A HN 0.475 nan 8.150 nan 0.000 0.446 267 L N -0.606 120.638 121.223 0.035 0.000 2.189 267 L HA -0.220 4.120 4.340 -0.001 0.000 0.214 267 L C 2.369 179.285 176.870 0.076 0.000 1.097 267 L CA 1.054 55.919 54.840 0.042 0.000 0.764 267 L CB -0.265 41.813 42.059 0.031 0.000 0.900 267 L HN 0.472 nan 8.230 nan 0.000 0.436 268 I N -1.171 119.460 120.570 0.101 0.000 2.339 268 I HA -0.232 3.937 4.170 -0.001 0.000 0.245 268 I C 2.221 178.470 176.117 0.220 0.000 1.096 268 I CA 0.651 62.065 61.300 0.190 0.000 1.408 268 I CB -0.347 37.740 38.000 0.145 0.000 1.092 268 I HN 0.299 nan 8.210 nan 0.000 0.423 269 N N 1.358 120.138 118.700 0.132 0.000 2.060 269 N HA -0.302 4.438 4.740 -0.001 0.000 0.195 269 N C 1.751 177.323 175.510 0.104 0.000 1.028 269 N CA 1.957 55.076 53.050 0.115 0.000 0.861 269 N CB -0.182 38.344 38.487 0.065 0.000 1.029 269 N HN 0.409 nan 8.380 nan 0.000 0.428 270 E N -0.292 119.952 120.200 0.074 0.000 2.106 270 E HA -0.105 4.245 4.350 -0.001 0.000 0.192 270 E C 1.758 178.375 176.600 0.028 0.000 0.984 270 E CA 1.062 57.488 56.400 0.043 0.000 0.806 270 E CB -0.211 29.506 29.700 0.027 0.000 0.750 270 E HN 0.378 nan 8.360 nan 0.000 0.458 271 A N 1.007 123.854 122.820 0.047 0.000 2.024 271 A HA -0.134 4.186 4.320 -0.001 0.000 0.220 271 A C 2.306 179.821 177.584 -0.115 0.000 1.164 271 A CA 1.879 53.891 52.037 -0.041 0.000 0.643 271 A CB -0.603 18.396 19.000 -0.001 0.000 0.806 271 A HN 0.444 nan 8.150 nan 0.000 0.451 272 A N -0.837 122.019 122.820 0.061 0.000 1.984 272 A HA 0.448 4.767 4.320 -0.001 0.000 0.214 272 A C 2.338 179.957 177.584 0.059 0.000 1.173 272 A CA 1.245 53.364 52.037 0.136 0.000 0.673 272 A CB -0.670 18.550 19.000 0.365 0.000 0.830 272 A HN 0.961 nan 8.150 nan 0.000 0.453 273 A N 0.171 123.014 122.820 0.039 0.000 2.067 273 A HA -0.074 4.245 4.320 -0.001 0.000 0.219 273 A C 2.068 179.641 177.584 -0.018 0.000 1.158 273 A CA 1.176 53.222 52.037 0.016 0.000 0.661 273 A CB -0.342 18.668 19.000 0.017 0.000 0.801 273 A HN 0.527 nan 8.150 nan 0.000 0.452 274 R N -1.282 119.189 120.500 -0.048 0.000 2.297 274 R HA 0.201 4.541 4.340 -0.001 0.000 0.197 274 R C 1.285 177.518 176.300 -0.112 0.000 0.943 274 R CA 0.456 56.511 56.100 -0.074 0.000 1.038 274 R CB -0.108 30.140 30.300 -0.086 0.000 0.957 274 R HN 0.571 nan 8.270 nan 0.000 0.484 275 G N 2.827 111.545 108.800 -0.137 0.000 2.258 275 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.274 275 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.274 275 G C 0.353 175.082 174.900 -0.285 0.000 1.021 275 G CA 0.576 45.569 45.100 -0.178 0.000 0.798 275 G HN 0.545 nan 8.290 nan 0.000 0.507 276 I N -1.966 118.386 120.570 -0.364 0.000 2.815 276 I HA 0.429 4.599 4.170 -0.001 0.000 0.291 276 I C 0.501 176.262 176.117 -0.593 0.000 1.209 276 I CA -0.280 60.784 61.300 -0.393 0.000 1.431 276 I CB 0.533 38.319 38.000 -0.356 0.000 1.351 276 I HN 0.276 nan 8.210 nan 0.000 0.585 277 E N 4.788 124.758 120.200 -0.385 0.000 2.344 277 E HA 0.039 4.388 4.350 -0.001 0.000 0.270 277 E C -0.326 176.095 176.600 -0.299 0.000 1.021 277 E CA 0.028 56.227 56.400 -0.335 0.000 0.887 277 E CB 0.622 30.236 29.700 -0.143 0.000 0.997 277 E HN 0.724 nan 8.360 nan 0.000 0.429 278 W N 2.143 123.437 121.300 -0.010 0.000 2.379 278 W HA -0.162 4.498 4.660 -0.001 0.000 0.307 278 W C 2.292 178.804 176.519 -0.013 0.000 1.200 278 W CA 0.929 58.267 57.345 -0.010 0.000 1.297 278 W CB 0.010 29.463 29.460 -0.010 0.000 1.140 278 W HN 0.697 nan 8.180 nan 0.000 0.507 279 E N 0.762 121.072 120.200 0.184 0.000 2.085 279 E HA -0.261 4.089 4.350 -0.001 0.000 0.194 279 E C 2.258 178.897 176.600 0.064 0.000 0.994 279 E CA 1.806 58.266 56.400 0.099 0.000 0.801 279 E CB -0.378 29.352 29.700 0.051 0.000 0.743 279 E HN 0.138 nan 8.360 nan 0.000 0.453 280 A N 1.011 123.849 122.820 0.029 0.000 1.896 280 A HA -0.260 4.060 4.320 -0.001 0.000 0.220 280 A C 2.170 179.761 177.584 0.012 0.000 1.206 280 A CA 1.853 53.889 52.037 -0.002 0.000 0.647 280 A CB -1.061 17.911 19.000 -0.047 0.000 0.828 280 A HN 0.419 nan 8.150 nan 0.000 0.455 281 L N -0.266 120.970 121.223 0.022 0.000 1.955 281 L HA -0.161 4.179 4.340 -0.001 0.000 0.213 281 L C 2.393 179.305 176.870 0.070 0.000 1.072 281 L CA 2.085 56.952 54.840 0.046 0.000 0.755 281 L CB -0.728 41.388 42.059 0.094 0.000 0.888 281 L HN 0.446 nan 8.230 nan 0.000 0.432 282 L N -1.506 119.774 121.223 0.095 0.000 2.263 282 L HA -0.250 4.090 4.340 -0.001 0.000 0.216 282 L C 2.223 179.123 176.870 0.050 0.000 1.111 282 L CA 0.777 55.660 54.840 0.073 0.000 0.773 282 L CB -0.597 41.500 42.059 0.064 0.000 0.906 282 L HN 0.212 nan 8.230 nan 0.000 0.439 283 V N -1.034 118.906 119.914 0.044 0.000 2.331 283 V HA -0.160 3.960 4.120 -0.001 0.000 0.242 283 V C 2.324 178.448 176.094 0.050 0.000 1.034 283 V CA 1.276 63.599 62.300 0.038 0.000 1.027 283 V CB -0.369 31.469 31.823 0.024 0.000 0.667 283 V HN 0.373 nan 8.190 nan 0.000 0.457 284 E N -0.128 120.097 120.200 0.041 0.000 2.219 284 E HA -0.246 4.104 4.350 -0.001 0.000 0.198 284 E C 2.145 178.782 176.600 0.063 0.000 0.998 284 E CA 1.488 57.914 56.400 0.043 0.000 0.818 284 E CB -0.169 29.547 29.700 0.026 0.000 0.741 284 E HN 0.563 nan 8.360 nan 0.000 0.477 285 M N -0.160 119.481 119.600 0.069 0.000 2.193 285 M HA -0.091 4.389 4.480 -0.001 0.000 0.265 285 M C 2.304 178.682 176.300 0.131 0.000 1.071 285 M CA 0.955 56.304 55.300 0.081 0.000 1.140 285 M CB -0.165 32.478 32.600 0.071 0.000 1.369 285 M HN 0.070 nan 8.290 nan 0.000 0.423 286 L N -0.312 121.001 121.223 0.149 0.000 2.093 286 L HA -0.066 4.274 4.340 -0.001 0.000 0.208 286 L C 2.707 179.748 176.870 0.286 0.000 1.085 286 L CA 1.300 56.307 54.840 0.278 0.000 0.755 286 L CB -1.310 40.864 42.059 0.191 0.000 0.904 286 L HN 0.367 nan 8.230 nan 0.000 0.435 287 G N 0.145 109.050 108.800 0.174 0.000 2.469 287 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.219 287 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.219 287 G C 1.632 176.633 174.900 0.169 0.000 1.150 287 G CA 0.796 45.987 45.100 0.151 0.000 0.763 287 G HN 0.239 nan 8.290 nan 0.000 0.561 288 L N -0.370 120.928 121.223 0.126 0.000 2.072 288 L HA 0.115 4.454 4.340 -0.001 0.000 0.205 288 L C 2.891 179.817 176.870 0.094 0.000 1.079 288 L CA 0.347 55.242 54.840 0.091 0.000 0.752 288 L CB -0.391 41.703 42.059 0.058 0.000 0.906 288 L HN 0.172 nan 8.230 nan 0.000 0.436 289 L N -0.527 120.776 121.223 0.133 0.000 2.187 289 L HA -0.286 4.053 4.340 -0.001 0.000 0.213 289 L C 2.721 179.638 176.870 0.079 0.000 1.100 289 L CA 1.167 56.089 54.840 0.136 0.000 0.765 289 L CB -0.627 41.579 42.059 0.246 0.000 0.904 289 L HN 0.461 nan 8.230 nan 0.000 0.437 290 H N 0.341 119.401 119.070 -0.017 0.000 2.276 290 H HA -0.172 4.383 4.556 -0.001 0.000 0.307 290 H C 2.359 177.651 175.328 -0.060 0.000 1.061 290 H CA 1.609 57.588 56.048 -0.116 0.000 1.336 290 H CB 0.005 29.703 29.762 -0.107 0.000 1.396 290 H HN 0.125 nan 8.280 nan 0.000 0.503 291 R N 0.421 120.799 120.500 -0.204 0.000 2.133 291 R HA -0.127 4.213 4.340 -0.001 0.000 0.247 291 R C 2.711 178.897 176.300 -0.190 0.000 1.151 291 R CA 1.811 57.757 56.100 -0.257 0.000 0.971 291 R CB -0.294 29.984 30.300 -0.037 0.000 0.866 291 R HN 0.430 nan 8.270 nan 0.000 0.447 292 I N -0.166 120.344 120.570 -0.101 0.000 2.163 292 I HA -0.236 3.934 4.170 -0.001 0.000 0.240 292 I C 2.378 178.446 176.117 -0.082 0.000 1.081 292 I CA 1.314 62.577 61.300 -0.062 0.000 1.353 292 I CB -0.365 37.628 38.000 -0.012 0.000 1.054 292 I HN 0.327 nan 8.210 nan 0.000 0.407 293 A N 0.050 122.811 122.820 -0.099 0.000 2.019 293 A HA -0.258 4.062 4.320 -0.001 0.000 0.219 293 A C 2.246 179.749 177.584 -0.136 0.000 1.164 293 A CA 1.662 53.641 52.037 -0.096 0.000 0.644 293 A CB -0.564 18.377 19.000 -0.099 0.000 0.805 293 A HN 0.419 nan 8.150 nan 0.000 0.449 294 M N -0.484 118.978 119.600 -0.230 0.000 2.067 294 M HA -0.109 4.370 4.480 -0.001 0.000 0.260 294 M C 1.919 178.139 176.300 -0.134 0.000 1.069 294 M CA 1.892 57.052 55.300 -0.233 0.000 1.117 294 M CB -0.367 31.995 32.600 -0.397 0.000 1.334 294 M HN 0.124 nan 8.290 nan 0.000 0.407 295 V N 0.719 120.564 119.914 -0.115 0.000 2.343 295 V HA -0.315 3.805 4.120 -0.001 0.000 0.247 295 V C 2.183 178.248 176.094 -0.050 0.000 1.051 295 V CA 1.953 64.211 62.300 -0.070 0.000 1.036 295 V CB -1.001 30.790 31.823 -0.054 0.000 0.654 295 V HN 0.590 nan 8.190 nan 0.000 0.451 296 Q N -0.475 119.297 119.800 -0.047 0.000 1.861 296 Q HA -0.280 4.059 4.340 -0.001 0.000 0.242 296 Q C 2.267 178.247 176.000 -0.034 0.000 1.025 296 Q CA 2.206 57.989 55.803 -0.033 0.000 0.886 296 Q CB -0.755 27.964 28.738 -0.031 0.000 0.969 296 Q HN 0.437 nan 8.270 nan 0.000 0.418 297 L N 0.366 121.565 121.223 -0.040 0.000 2.091 297 L HA -0.213 4.127 4.340 -0.001 0.000 0.246 297 L C 1.078 177.930 176.870 -0.030 0.000 1.105 297 L CA 2.030 56.849 54.840 -0.036 0.000 0.840 297 L CB -0.906 41.127 42.059 -0.044 0.000 0.938 297 L HN 0.338 nan 8.230 nan 0.000 0.443 298 S N -0.378 115.301 115.700 -0.035 0.000 2.422 298 S HA 0.305 4.774 4.470 -0.001 0.000 0.308 298 S C -1.526 173.057 174.600 -0.029 0.000 1.097 298 S CA -1.465 56.718 58.200 -0.028 0.000 1.099 298 S CB 1.500 64.685 63.200 -0.025 0.000 0.976 298 S HN 0.104 nan 8.310 nan 0.000 0.471 299 P HA -0.065 nan 4.420 nan 0.000 0.215 299 P C 1.360 178.648 177.300 -0.019 0.000 1.157 299 P CA 1.513 64.601 63.100 -0.020 0.000 0.868 299 P CB 0.022 31.713 31.700 -0.014 0.000 0.788 300 A N -0.128 122.682 122.820 -0.016 0.000 2.076 300 A HA -0.108 4.212 4.320 -0.001 0.000 0.220 300 A C 2.265 179.839 177.584 -0.016 0.000 1.160 300 A CA 1.753 53.783 52.037 -0.013 0.000 0.653 300 A CB -1.562 17.433 19.000 -0.009 0.000 0.801 300 A HN 0.188 nan 8.150 nan 0.000 0.455 301 A N -0.241 122.565 122.820 -0.023 0.000 1.958 301 A HA -0.076 4.244 4.320 -0.001 0.000 0.221 301 A C 1.275 178.841 177.584 -0.029 0.000 1.178 301 A CA 1.176 53.195 52.037 -0.029 0.000 0.642 301 A CB -0.801 18.171 19.000 -0.048 0.000 0.816 301 A HN 0.756 nan 8.150 nan 0.000 0.453 302 L N 0.425 121.630 121.223 -0.030 0.000 2.559 302 L HA 0.312 4.652 4.340 -0.001 0.000 0.282 302 L C 1.116 177.979 176.870 -0.011 0.000 1.232 302 L CA 0.039 54.864 54.840 -0.025 0.000 0.885 302 L CB 0.130 42.176 42.059 -0.021 0.000 1.131 302 L HN 0.345 nan 8.230 nan 0.000 0.498 303 G N 2.744 111.542 108.800 -0.004 0.000 2.750 303 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.250 303 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.250 303 G C 0.584 175.486 174.900 0.003 0.000 1.230 303 G CA -0.046 45.057 45.100 0.005 0.000 0.883 303 G HN 0.855 nan 8.290 nan 0.000 0.573 304 N N -0.400 118.303 118.700 0.005 0.000 2.392 304 N HA -0.087 4.652 4.740 -0.001 0.000 0.177 304 N C 1.661 177.172 175.510 0.002 0.000 1.066 304 N CA 1.030 54.082 53.050 0.003 0.000 0.895 304 N CB 0.098 38.587 38.487 0.003 0.000 0.988 304 N HN 0.660 nan 8.380 nan 0.000 0.457 305 D N 0.108 120.510 120.400 0.004 0.000 2.277 305 D HA -0.109 4.531 4.640 -0.001 0.000 0.208 305 D C 0.888 177.190 176.300 0.003 0.000 0.962 305 D CA 0.435 54.437 54.000 0.003 0.000 0.865 305 D CB -0.215 40.588 40.800 0.004 0.000 0.939 305 D HN 0.349 nan 8.370 nan 0.000 0.510 306 M N -0.942 118.661 119.600 0.005 0.000 3.371 306 M HA 0.712 5.191 4.480 -0.001 0.000 0.212 306 M C 0.748 177.049 176.300 0.002 0.000 1.200 306 M CA -0.694 54.609 55.300 0.004 0.000 1.211 306 M CB 1.422 34.026 32.600 0.007 0.000 1.210 306 M HN -0.129 nan 8.290 nan 0.000 0.601 307 A N 1.816 124.636 122.820 0.001 0.000 1.854 307 A HA 0.181 4.501 4.320 -0.001 0.000 0.214 307 A C 2.215 179.799 177.584 -0.000 0.000 1.192 307 A CA 1.634 53.671 52.037 -0.000 0.000 0.611 307 A CB -0.636 18.364 19.000 -0.001 0.000 0.832 307 A HN 0.821 nan 8.150 nan 0.000 0.442 308 A N -1.322 121.498 122.820 -0.000 0.000 2.272 308 A HA 0.088 4.408 4.320 -0.001 0.000 0.213 308 A C 1.670 179.254 177.584 -0.000 0.000 1.183 308 A CA 1.460 53.497 52.037 -0.001 0.000 0.719 308 A CB -0.461 18.538 19.000 -0.001 0.000 0.771 308 A HN 0.519 nan 8.150 nan 0.000 0.484 309 I N -2.727 117.843 120.570 0.000 0.000 4.655 309 I HA 0.017 4.187 4.170 -0.001 0.000 0.333 309 I C 1.895 178.013 176.117 0.000 0.000 1.312 309 I CA 0.354 61.654 61.300 0.001 0.000 1.270 309 I CB 0.196 38.197 38.000 0.002 0.000 1.318 309 I HN 0.450 nan 8.210 nan 0.000 0.456 310 E N 2.002 122.201 120.200 -0.000 0.000 2.097 310 E HA -0.268 4.082 4.350 -0.001 0.000 0.196 310 E C 2.244 178.843 176.600 -0.002 0.000 1.000 310 E CA 1.439 57.838 56.400 -0.002 0.000 0.804 310 E CB 0.060 29.759 29.700 -0.002 0.000 0.740 310 E HN 0.469 nan 8.360 nan 0.000 0.454 311 L N 0.475 121.698 121.223 -0.001 0.000 2.021 311 L HA -0.242 4.098 4.340 -0.001 0.000 0.215 311 L C 2.910 179.780 176.870 -0.000 0.000 1.074 311 L CA 1.734 56.573 54.840 -0.001 0.000 0.760 311 L CB -0.256 41.803 42.059 -0.000 0.000 0.889 311 L HN 0.213 nan 8.230 nan 0.000 0.433 312 R N -1.382 119.118 120.500 -0.000 0.000 2.127 312 R HA -0.069 4.271 4.340 -0.001 0.000 0.217 312 R C 2.242 178.542 176.300 0.000 0.000 1.074 312 R CA 0.676 56.776 56.100 0.000 0.000 0.991 312 R CB 0.121 30.421 30.300 -0.000 0.000 0.895 312 R HN 0.309 nan 8.270 nan 0.000 0.450 313 M N 0.145 119.744 119.600 -0.001 0.000 2.081 313 M HA -0.098 4.382 4.480 -0.001 0.000 0.261 313 M C 2.077 178.375 176.300 -0.003 0.000 1.075 313 M CA 1.406 56.705 55.300 -0.002 0.000 1.133 313 M CB -0.784 31.814 32.600 -0.003 0.000 1.330 313 M HN 0.015 nan 8.290 nan 0.000 0.414 314 R N 0.405 120.902 120.500 -0.005 0.000 2.134 314 R HA -0.231 4.109 4.340 -0.001 0.000 0.248 314 R C 2.023 178.322 176.300 -0.001 0.000 1.143 314 R CA 1.879 57.976 56.100 -0.005 0.000 0.957 314 R CB -0.855 29.442 30.300 -0.004 0.000 0.867 314 R HN 0.401 nan 8.270 nan 0.000 0.441 315 E N 0.788 120.989 120.200 0.001 0.000 2.023 315 E HA -0.143 4.207 4.350 -0.001 0.000 0.196 315 E C 2.137 178.742 176.600 0.008 0.000 1.003 315 E CA 1.253 57.656 56.400 0.004 0.000 0.809 315 E CB -0.439 29.264 29.700 0.005 0.000 0.755 315 E HN 0.256 nan 8.360 nan 0.000 0.449 316 L N -0.237 120.991 121.223 0.008 0.000 2.129 316 L HA -0.239 4.100 4.340 -0.001 0.000 0.212 316 L C 2.365 179.246 176.870 0.019 0.000 1.087 316 L CA 1.293 56.142 54.840 0.014 0.000 0.757 316 L CB -0.416 41.649 42.059 0.009 0.000 0.896 316 L HN 0.259 nan 8.230 nan 0.000 0.434 317 A N -0.199 122.627 122.820 0.009 0.000 1.929 317 A HA -0.203 4.117 4.320 -0.001 0.000 0.216 317 A C 2.412 180.001 177.584 0.008 0.000 1.176 317 A CA 1.434 53.474 52.037 0.005 0.000 0.628 317 A CB -0.481 18.513 19.000 -0.009 0.000 0.816 317 A HN 0.420 nan 8.150 nan 0.000 0.444 318 R N 0.107 120.611 120.500 0.007 0.000 2.092 318 R HA -0.111 4.229 4.340 -0.001 0.000 0.231 318 R C 1.766 178.074 176.300 0.014 0.000 1.119 318 R CA 2.136 58.240 56.100 0.008 0.000 0.970 318 R CB -0.518 29.785 30.300 0.005 0.000 0.864 318 R HN 0.535 nan 8.270 nan 0.000 0.440 319 T N -1.637 112.929 114.554 0.020 0.000 3.044 319 T HA 0.299 4.649 4.350 -0.001 0.000 0.250 319 T C 0.977 175.700 174.700 0.039 0.000 1.081 319 T CA -0.133 61.983 62.100 0.027 0.000 1.040 319 T CB 0.029 68.913 68.868 0.027 0.000 0.962 319 T HN 0.109 nan 8.240 nan 0.000 0.506 320 I N 1.836 122.433 120.570 0.046 0.000 2.433 320 I HA 0.446 4.616 4.170 -0.001 0.000 0.292 320 I C -2.882 173.265 176.117 0.050 0.000 1.001 320 I CA -3.163 58.177 61.300 0.067 0.000 1.119 320 I CB 1.987 40.055 38.000 0.114 0.000 1.289 320 I HN -0.218 nan 8.210 nan 0.000 0.438 321 P HA 0.179 nan 4.420 nan 0.000 0.271 321 P C -2.148 175.162 177.300 0.017 0.000 1.220 321 P CA -1.230 61.880 63.100 0.016 0.000 0.768 321 P CB 0.241 31.942 31.700 0.001 0.000 0.848 322 P HA -0.275 nan 4.420 nan 0.000 0.216 322 P C 1.656 178.954 177.300 -0.005 0.000 1.154 322 P CA 2.216 65.317 63.100 0.003 0.000 0.865 322 P CB -0.548 31.148 31.700 -0.007 0.000 0.789 323 T N -3.051 111.493 114.554 -0.016 0.000 2.665 323 T HA -0.250 4.099 4.350 -0.001 0.000 0.268 323 T C 1.544 176.210 174.700 -0.057 0.000 1.035 323 T CA 2.003 64.085 62.100 -0.030 0.000 1.151 323 T CB -1.363 67.484 68.868 -0.034 0.000 0.862 323 T HN -0.006 nan 8.240 nan 0.000 0.438 324 D N 1.157 121.515 120.400 -0.071 0.000 2.104 324 D HA -0.009 4.630 4.640 -0.001 0.000 0.194 324 D C 2.112 178.320 176.300 -0.154 0.000 0.994 324 D CA 1.052 54.957 54.000 -0.158 0.000 0.830 324 D CB -0.442 40.307 40.800 -0.086 0.000 0.959 324 D HN 0.470 nan 8.370 nan 0.000 0.452 325 I N 0.613 121.211 120.570 0.047 0.000 2.226 325 I HA -0.258 3.912 4.170 -0.001 0.000 0.245 325 I C 2.300 178.498 176.117 0.135 0.000 1.100 325 I CA 0.937 62.345 61.300 0.181 0.000 1.374 325 I CB -0.216 37.863 38.000 0.130 0.000 1.057 325 I HN 0.065 nan 8.210 nan 0.000 0.413 326 Q N 0.166 119.998 119.800 0.055 0.000 2.124 326 Q HA -0.214 4.125 4.340 -0.001 0.000 0.202 326 Q C 2.222 178.272 176.000 0.082 0.000 0.977 326 Q CA 1.329 57.178 55.803 0.077 0.000 0.850 326 Q CB -0.624 28.134 28.738 0.034 0.000 0.901 326 Q HN 0.403 nan 8.270 nan 0.000 0.429 327 L N 0.222 121.423 121.223 -0.037 0.000 1.971 327 L HA -0.230 4.109 4.340 -0.001 0.000 0.215 327 L C 2.061 178.908 176.870 -0.039 0.000 1.072 327 L CA 1.934 56.708 54.840 -0.110 0.000 0.758 327 L CB -1.259 40.637 42.059 -0.271 0.000 0.889 327 L HN 0.098 nan 8.230 nan 0.000 0.433 328 Y N -1.342 119.023 120.300 0.108 0.000 2.097 328 Y HA -0.312 4.237 4.550 -0.001 0.000 0.282 328 Y C 2.570 178.554 175.900 0.139 0.000 1.152 328 Y CA 2.195 60.367 58.100 0.121 0.000 1.136 328 Y CB -1.545 36.991 38.460 0.127 0.000 0.975 328 Y HN 0.305 nan 8.280 nan 0.000 0.498 329 Y N 1.063 121.478 120.300 0.191 0.000 2.014 329 Y HA -0.427 4.122 4.550 -0.001 0.000 0.272 329 Y C 2.767 178.711 175.900 0.075 0.000 1.164 329 Y CA 2.319 60.489 58.100 0.117 0.000 1.114 329 Y CB -0.999 37.520 38.460 0.098 0.000 0.961 329 Y HN 0.167 nan 8.280 nan 0.000 0.489 330 Q N -0.229 119.649 119.800 0.130 0.000 2.045 330 Q HA -0.265 4.074 4.340 -0.001 0.000 0.215 330 Q C 2.138 178.106 176.000 -0.054 0.000 1.026 330 Q CA 3.475 59.280 55.803 0.004 0.000 0.885 330 Q CB -1.107 27.649 28.738 0.030 0.000 0.984 330 Q HN 0.596 nan 8.270 nan 0.000 0.414 331 T N 0.474 115.027 114.554 -0.002 0.000 2.867 331 T HA -0.058 4.291 4.350 -0.001 0.000 0.268 331 T C 1.662 176.359 174.700 -0.006 0.000 1.057 331 T CA 1.177 63.274 62.100 -0.004 0.000 1.136 331 T CB -0.149 68.749 68.868 0.051 0.000 0.874 331 T HN 0.221 nan 8.240 nan 0.000 0.466 332 L N 0.015 121.235 121.223 -0.004 0.000 2.395 332 L HA 0.114 4.454 4.340 -0.001 0.000 0.218 332 L C 2.174 178.983 176.870 -0.101 0.000 1.130 332 L CA 0.405 55.232 54.840 -0.023 0.000 0.826 332 L CB -0.264 41.805 42.059 0.016 0.000 0.941 332 L HN 0.238 nan 8.230 nan 0.000 0.451 333 L N 0.651 121.762 121.223 -0.187 0.000 2.071 333 L HA -0.085 4.254 4.340 -0.001 0.000 0.201 333 L C 2.325 179.126 176.870 -0.115 0.000 1.076 333 L CA 1.454 56.157 54.840 -0.228 0.000 0.755 333 L CB -0.308 41.530 42.059 -0.369 0.000 0.915 333 L HN 0.203 nan 8.230 nan 0.000 0.445 334 I N -2.232 118.284 120.570 -0.090 0.000 2.335 334 I HA -0.097 4.073 4.170 -0.001 0.000 0.251 334 I C 2.157 178.257 176.117 -0.029 0.000 1.129 334 I CA 1.552 62.822 61.300 -0.049 0.000 1.402 334 I CB -1.350 36.620 38.000 -0.051 0.000 1.069 334 I HN 0.257 nan 8.210 nan 0.000 0.424 335 G N 1.068 109.848 108.800 -0.034 0.000 2.442 335 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.219 335 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.219 335 G C 1.868 176.762 174.900 -0.009 0.000 1.141 335 G CA 0.854 45.946 45.100 -0.014 0.000 0.763 335 G HN 0.420 nan 8.290 nan 0.000 0.554 336 R N 0.250 120.736 120.500 -0.023 0.000 2.055 336 R HA 0.025 4.364 4.340 -0.001 0.000 0.228 336 R C 2.552 178.846 176.300 -0.010 0.000 1.143 336 R CA 1.365 57.455 56.100 -0.018 0.000 0.945 336 R CB -0.397 29.881 30.300 -0.036 0.000 0.841 336 R HN 0.257 nan 8.270 nan 0.000 0.429 337 K N 0.586 120.982 120.400 -0.007 0.000 2.127 337 K HA -0.247 4.073 4.320 -0.001 0.000 0.212 337 K C 1.756 178.408 176.600 0.085 0.000 1.050 337 K CA 2.185 58.490 56.287 0.029 0.000 0.929 337 K CB -0.021 32.493 32.500 0.024 0.000 0.715 337 K HN 0.317 nan 8.250 nan 0.000 0.457 338 E N 0.013 120.257 120.200 0.073 0.000 2.158 338 E HA -0.146 4.204 4.350 -0.001 0.000 0.191 338 E C 1.895 178.544 176.600 0.083 0.000 0.982 338 E CA 0.416 56.891 56.400 0.125 0.000 0.823 338 E CB 0.008 29.747 29.700 0.066 0.000 0.766 338 E HN 0.154 nan 8.360 nan 0.000 0.468 339 L N 1.554 122.781 121.223 0.007 0.000 2.043 339 L HA -0.160 4.179 4.340 -0.001 0.000 0.212 339 L C -1.026 175.796 176.870 -0.081 0.000 1.075 339 L CA 2.011 56.836 54.840 -0.025 0.000 0.752 339 L CB -0.985 41.066 42.059 -0.014 0.000 0.891 339 L HN 0.026 nan 8.230 nan 0.000 0.432 340 P HA -0.243 nan 4.420 nan 0.000 0.217 340 P C 1.200 178.302 177.300 -0.330 0.000 1.162 340 P CA 2.003 64.865 63.100 -0.397 0.000 0.901 340 P CB -0.196 30.974 31.700 -0.884 0.000 0.793 341 Y N -1.229 119.067 120.300 -0.007 0.000 2.420 341 Y HA 0.237 4.787 4.550 -0.001 0.000 0.292 341 Y C 1.625 177.517 175.900 -0.014 0.000 1.119 341 Y CA -0.306 57.788 58.100 -0.009 0.000 1.229 341 Y CB -0.638 37.816 38.460 -0.010 0.000 1.026 341 Y HN -0.144 nan 8.280 nan 0.000 0.554 342 A N 2.065 124.950 122.820 0.108 0.000 2.466 342 A HA 0.048 4.368 4.320 -0.001 0.000 0.238 342 A C -1.051 176.542 177.584 0.015 0.000 1.074 342 A CA -0.941 51.123 52.037 0.046 0.000 0.774 342 A CB -0.285 18.720 19.000 0.008 0.000 1.015 342 A HN 0.143 nan 8.150 nan 0.000 0.498 343 P HA -0.062 nan 4.420 nan 0.000 0.218 343 P C -0.081 177.209 177.300 -0.017 0.000 1.149 343 P CA 1.653 64.751 63.100 -0.003 0.000 0.817 343 P CB 0.056 31.749 31.700 -0.012 0.000 0.785 344 D N -1.838 118.536 120.400 -0.043 0.000 2.966 344 D HA 0.153 4.793 4.640 -0.001 0.000 0.222 344 D C 0.933 177.170 176.300 -0.105 0.000 1.292 344 D CA -0.686 53.279 54.000 -0.058 0.000 0.907 344 D CB 1.181 41.939 40.800 -0.070 0.000 1.621 344 D HN -0.343 nan 8.370 nan 0.000 0.557 345 R N 1.896 122.353 120.500 -0.071 0.000 2.133 345 R HA -0.189 4.150 4.340 -0.001 0.000 0.247 345 R C 2.028 178.113 176.300 -0.359 0.000 1.151 345 R CA 1.813 57.863 56.100 -0.084 0.000 0.971 345 R CB -0.017 30.339 30.300 0.094 0.000 0.866 345 R HN 0.480 nan 8.270 nan 0.000 0.447 346 R N 0.728 120.815 120.500 -0.690 0.000 2.096 346 R HA -0.155 4.184 4.340 -0.001 0.000 0.229 346 R C 2.261 178.149 176.300 -0.687 0.000 1.134 346 R CA 1.973 57.303 56.100 -1.283 0.000 0.917 346 R CB -0.399 29.317 30.300 -0.973 0.000 0.832 346 R HN 0.102 nan 8.270 nan 0.000 0.430 347 M N 0.163 119.526 119.600 -0.394 0.000 2.116 347 M HA -0.206 4.273 4.480 -0.001 0.000 0.255 347 M C 2.057 178.240 176.300 -0.196 0.000 1.075 347 M CA 2.297 57.456 55.300 -0.235 0.000 1.087 347 M CB -0.448 32.066 32.600 -0.144 0.000 1.340 347 M HN 0.562 nan 8.290 nan 0.000 0.402 348 G N -1.354 107.330 108.800 -0.192 0.000 2.402 348 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.216 348 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.216 348 G C 1.325 176.153 174.900 -0.120 0.000 1.162 348 G CA 0.949 45.978 45.100 -0.118 0.000 0.777 348 G HN 0.386 nan 8.290 nan 0.000 0.539 349 V N 0.565 120.362 119.914 -0.196 0.000 2.270 349 V HA -0.151 3.969 4.120 -0.001 0.000 0.245 349 V C 2.619 178.638 176.094 -0.126 0.000 1.043 349 V CA 2.145 64.367 62.300 -0.131 0.000 1.014 349 V CB -0.621 31.138 31.823 -0.108 0.000 0.645 349 V HN 0.438 nan 8.190 nan 0.000 0.447 350 E N -0.526 119.543 120.200 -0.218 0.000 2.068 350 E HA -0.373 3.977 4.350 -0.001 0.000 0.207 350 E C 2.132 178.689 176.600 -0.071 0.000 1.032 350 E CA 2.222 58.537 56.400 -0.140 0.000 0.839 350 E CB -0.308 29.288 29.700 -0.175 0.000 0.758 350 E HN 0.411 nan 8.360 nan 0.000 0.457 351 M N 0.303 119.859 119.600 -0.073 0.000 2.202 351 M HA -0.139 4.340 4.480 -0.001 0.000 0.262 351 M C 2.053 178.353 176.300 0.001 0.000 1.063 351 M CA 1.630 56.913 55.300 -0.029 0.000 1.097 351 M CB -0.199 32.383 32.600 -0.032 0.000 1.382 351 M HN -0.053 nan 8.290 nan 0.000 0.413 352 T N -0.051 114.499 114.554 -0.007 0.000 2.985 352 T HA 0.053 4.402 4.350 -0.001 0.000 0.266 352 T C 1.646 176.373 174.700 0.044 0.000 1.076 352 T CA 0.982 63.093 62.100 0.018 0.000 1.135 352 T CB -0.116 68.758 68.868 0.009 0.000 0.890 352 T HN 0.362 nan 8.240 nan 0.000 0.480 353 L N 0.384 121.627 121.223 0.032 0.000 2.179 353 L HA 0.124 4.463 4.340 -0.001 0.000 0.208 353 L C 2.271 179.177 176.870 0.060 0.000 1.096 353 L CA 0.675 55.545 54.840 0.049 0.000 0.779 353 L CB -0.356 41.719 42.059 0.027 0.000 0.922 353 L HN 0.243 nan 8.230 nan 0.000 0.443 354 L N -0.344 120.905 121.223 0.044 0.000 2.131 354 L HA -0.217 4.122 4.340 -0.001 0.000 0.210 354 L C 2.747 179.682 176.870 0.108 0.000 1.092 354 L CA 1.174 56.046 54.840 0.053 0.000 0.759 354 L CB -0.540 41.537 42.059 0.030 0.000 0.903 354 L HN 0.329 nan 8.230 nan 0.000 0.435 355 R N 0.307 120.886 120.500 0.131 0.000 2.075 355 R HA -0.141 4.198 4.340 -0.001 0.000 0.232 355 R C 2.384 178.856 176.300 0.288 0.000 1.126 355 R CA 1.257 57.493 56.100 0.227 0.000 0.963 355 R CB -0.170 30.217 30.300 0.144 0.000 0.858 355 R HN 0.291 nan 8.270 nan 0.000 0.435 356 A N 1.693 124.643 122.820 0.216 0.000 1.859 356 A HA -0.259 4.061 4.320 -0.001 0.000 0.218 356 A C 2.168 179.929 177.584 0.295 0.000 1.242 356 A CA 2.042 54.248 52.037 0.282 0.000 0.661 356 A CB -1.164 17.988 19.000 0.254 0.000 0.842 356 A HN 0.366 nan 8.150 nan 0.000 0.455 357 L N -0.998 120.328 121.223 0.172 0.000 1.991 357 L HA -0.345 3.995 4.340 -0.001 0.000 0.221 357 L C 3.097 180.043 176.870 0.127 0.000 1.079 357 L CA 1.830 56.729 54.840 0.099 0.000 0.778 357 L CB -0.988 41.080 42.059 0.014 0.000 0.893 357 L HN 0.528 nan 8.230 nan 0.000 0.437 358 A N -0.355 122.520 122.820 0.092 0.000 1.917 358 A HA -0.193 4.127 4.320 -0.001 0.000 0.219 358 A C 1.699 179.153 177.584 -0.217 0.000 1.182 358 A CA 1.750 53.750 52.037 -0.063 0.000 0.633 358 A CB -0.788 18.157 19.000 -0.093 0.000 0.819 358 A HN 0.412 nan 8.150 nan 0.000 0.448 359 F N -0.464 119.535 119.950 0.082 0.000 2.660 359 F HA 0.183 4.710 4.527 -0.001 0.000 0.297 359 F C 0.930 176.782 175.800 0.086 0.000 1.132 359 F CA -0.450 57.586 58.000 0.061 0.000 1.372 359 F CB -0.332 38.687 39.000 0.031 0.000 1.003 359 F HN 0.306 nan 8.300 nan 0.000 0.524 360 H N 2.417 121.567 119.070 0.133 0.000 2.848 360 H HA 0.017 4.572 4.556 -0.001 0.000 0.341 360 H C -1.636 173.734 175.328 0.071 0.000 1.060 360 H CA -1.164 54.960 56.048 0.128 0.000 1.444 360 H CB 1.560 31.401 29.762 0.132 0.000 1.446 360 H HN 0.020 nan 8.280 nan 0.000 0.583 361 P HA -0.104 nan 4.420 nan 0.000 0.214 361 P C 1.269 178.434 177.300 -0.225 0.000 1.162 361 P CA 1.013 63.945 63.100 -0.279 0.000 0.874 361 P CB 0.429 31.939 31.700 -0.318 0.000 0.784 362 R N -1.389 118.898 120.500 -0.356 0.000 2.173 362 R HA 0.274 4.613 4.340 -0.001 0.000 0.208 362 R C 0.922 177.277 176.300 0.092 0.000 1.035 362 R CA 0.636 56.692 56.100 -0.072 0.000 1.004 362 R CB -0.481 29.815 30.300 -0.007 0.000 0.917 362 R HN 0.320 nan 8.270 nan 0.000 0.462 363 M N 0.845 120.622 119.600 0.295 0.000 2.151 363 M HA 0.292 4.771 4.480 -0.001 0.000 0.229 363 M C -2.587 173.863 176.300 0.250 0.000 1.029 363 M CA -1.646 53.804 55.300 0.249 0.000 0.765 363 M CB 2.504 35.225 32.600 0.202 0.000 1.969 363 M HN -0.319 nan 8.290 nan 0.000 0.352 364 P HA 0.007 nan 4.420 nan 0.000 0.266 364 P C -0.271 177.050 177.300 0.036 0.000 1.193 364 P CA -0.371 62.778 63.100 0.082 0.000 0.770 364 P CB 0.482 32.184 31.700 0.003 0.000 0.836 365 L N 5.363 126.590 121.223 0.005 0.000 2.506 365 L HA 0.118 4.458 4.340 -0.001 0.000 0.281 365 L C -1.803 175.049 176.870 -0.029 0.000 1.228 365 L CA -1.006 53.824 54.840 -0.017 0.000 0.850 365 L CB -1.076 40.965 42.059 -0.030 0.000 1.110 365 L HN 0.364 nan 8.230 nan 0.000 0.496 366 P HA 0.137 nan 4.420 nan 0.000 0.270 366 P C -0.846 176.435 177.300 -0.031 0.000 1.242 366 P CA -0.270 62.817 63.100 -0.022 0.000 0.768 366 P CB 0.418 32.109 31.700 -0.015 0.000 0.820 367 E N 4.280 124.459 120.200 -0.035 0.000 2.398 367 E HA 0.174 4.523 4.350 -0.001 0.000 0.263 367 E C -1.423 175.162 176.600 -0.025 0.000 1.046 367 E CA -1.220 55.158 56.400 -0.036 0.000 0.908 367 E CB -0.191 29.485 29.700 -0.040 0.000 0.963 367 E HN 0.347 nan 8.360 nan 0.000 0.431 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.090 63.100 -0.016 0.000 0.800 368 P CB 0.000 31.691 31.700 -0.016 0.000 0.726