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 1rf5_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKLKTNIRHL HGIIRVPGDK SISHRSIIFG SLAEGETKVY DILRGEDVLS DATA SEQUENCE TMQVFRDLGV EIEDKDGVIT VQGVGMAGLK APQNALNMGN SGTSIRLISG DATA SEQUENCE VLAGADFEVE MFGDDSLSKR PMDRVTLPLK KMGVSISGQT ERDLPPLRLK DATA SEQUENCE GTKNLRPIHY ELPIASAQVK SALMFAALQA KGESVIIEKE YTRNHTEDML DATA SEQUENCE QQFGGHLSVD GKKITVQGPQ KLTGQKVVVP GDISSAAFWL VAGLIAPNSR DATA SEQUENCE LVLQNVGINE TRTGIIDVIR AMGGKLEITE IDPVAKSATL IVESSDLKGT DATA SEQUENCE EICGALIPRL IDELPIIALL ATQAQGVTVI KDAEELKVKE TDRIQVVADA DATA SEQUENCE LNSMGADITP TADGMIIKGK SALHGARVNT FGDHRIGMMT AIAALLVADG DATA SEQUENCE EVELDRAEAI NTSYPSFFDD LESLIHG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.277 176.300 -0.039 0.000 1.140 1 M CA 0.000 55.262 55.300 -0.063 0.000 0.988 1 M CB 0.000 32.528 32.600 -0.120 0.000 1.302 2 K N 2.157 122.534 120.400 -0.038 0.000 2.211 2 K HA 0.697 5.017 4.320 0.000 0.000 0.275 2 K C -1.250 175.351 176.600 0.003 0.000 1.024 2 K CA -0.492 55.788 56.287 -0.013 0.000 0.887 2 K CB 1.416 33.909 32.500 -0.011 0.000 1.084 2 K HN 0.553 nan 8.250 nan 0.000 0.463 3 L N 2.642 123.887 121.223 0.036 0.000 2.379 3 L HA 0.327 4.667 4.340 0.000 0.000 0.269 3 L C 0.251 177.157 176.870 0.061 0.000 1.084 3 L CA -0.811 54.078 54.840 0.082 0.000 0.802 3 L CB 0.709 42.836 42.059 0.112 0.000 1.175 3 L HN 0.367 nan 8.230 nan 0.000 0.448 4 K N 0.943 121.389 120.400 0.077 0.000 2.368 4 K HA 0.222 4.542 4.320 0.000 0.000 0.282 4 K C -0.300 176.318 176.600 0.030 0.000 1.035 4 K CA 0.018 56.334 56.287 0.047 0.000 0.973 4 K CB 0.668 33.199 32.500 0.052 0.000 0.957 4 K HN 0.698 nan 8.250 nan 0.000 0.474 5 T N 0.593 115.155 114.554 0.012 0.000 2.930 5 T HA 0.337 4.687 4.350 0.000 0.000 0.290 5 T C -0.114 174.578 174.700 -0.014 0.000 1.052 5 T CA -1.076 61.025 62.100 0.003 0.000 1.017 5 T CB 1.131 70.004 68.868 0.007 0.000 1.137 5 T HN 0.777 nan 8.240 nan 0.000 0.511 6 N N 0.122 118.811 118.700 -0.018 0.000 2.708 6 N HA -0.154 4.587 4.740 0.000 0.000 0.255 6 N C -1.225 174.247 175.510 -0.064 0.000 1.046 6 N CA -0.087 52.943 53.050 -0.032 0.000 0.715 6 N CB -0.782 37.690 38.487 -0.026 0.000 0.895 6 N HN 0.599 nan 8.380 nan 0.000 0.545 7 I N 1.794 122.322 120.570 -0.071 0.000 2.342 7 I HA 0.136 4.306 4.170 0.000 0.000 0.291 7 I C 1.797 177.828 176.117 -0.144 0.000 1.010 7 I CA -0.326 60.899 61.300 -0.124 0.000 1.308 7 I CB 1.252 39.199 38.000 -0.089 0.000 1.400 7 I HN 0.255 nan 8.210 nan 0.000 0.488 8 R N 4.428 124.772 120.500 -0.259 0.000 2.254 8 R HA 0.211 4.551 4.340 0.000 0.000 0.195 8 R C -0.554 175.667 176.300 -0.132 0.000 0.957 8 R CA 0.283 56.262 56.100 -0.203 0.000 1.024 8 R CB -0.099 30.085 30.300 -0.193 0.000 0.952 8 R HN 0.743 nan 8.270 nan 0.000 0.484 9 H N -1.187 117.881 119.070 -0.004 0.000 3.079 9 H HA 0.558 5.114 4.556 0.000 0.000 0.356 9 H C -1.596 173.707 175.328 -0.042 0.000 1.221 9 H CA -1.232 54.817 56.048 0.003 0.000 1.185 9 H CB 1.079 30.910 29.762 0.114 0.000 1.882 9 H HN -0.017 nan 8.280 nan 0.000 0.543 10 L N 3.336 124.561 121.223 0.003 0.000 2.439 10 L HA 0.498 4.838 4.340 0.000 0.000 0.270 10 L C -0.999 175.662 176.870 -0.348 0.000 0.972 10 L CA -0.519 54.277 54.840 -0.075 0.000 0.836 10 L CB 1.603 43.624 42.059 -0.063 0.000 1.255 10 L HN 0.701 nan 8.230 nan 0.000 0.404 11 H N 2.063 121.137 119.070 0.006 0.000 2.894 11 H HA 0.809 5.365 4.556 0.000 0.000 0.367 11 H C -0.207 175.086 175.328 -0.059 0.000 1.144 11 H CA -0.470 55.559 56.048 -0.032 0.000 1.180 11 H CB 2.686 32.418 29.762 -0.050 0.000 1.758 11 H HN 0.766 nan 8.280 nan 0.000 0.541 12 G N 1.231 110.061 108.800 0.049 0.000 2.361 12 G HA2 0.187 4.147 3.960 0.000 0.000 0.305 12 G HA3 0.187 4.147 3.960 0.000 0.000 0.305 12 G C -1.813 173.052 174.900 -0.058 0.000 1.367 12 G CA -1.009 44.079 45.100 -0.020 0.000 0.951 12 G HN 0.402 nan 8.290 nan 0.000 0.615 13 I N 0.910 121.439 120.570 -0.067 0.000 2.354 13 I HA 0.536 4.706 4.170 0.000 0.000 0.292 13 I C -0.205 175.850 176.117 -0.104 0.000 0.989 13 I CA -0.853 60.406 61.300 -0.068 0.000 1.188 13 I CB 1.675 39.653 38.000 -0.037 0.000 1.342 13 I HN 0.273 nan 8.210 nan 0.000 0.457 14 I N 5.976 126.473 120.570 -0.122 0.000 2.465 14 I HA 0.433 4.603 4.170 0.000 0.000 0.291 14 I C -0.057 176.040 176.117 -0.032 0.000 1.014 14 I CA -0.649 60.564 61.300 -0.145 0.000 1.093 14 I CB 1.827 39.602 38.000 -0.376 0.000 1.267 14 I HN 0.536 nan 8.210 nan 0.000 0.431 15 R N 4.078 124.584 120.500 0.010 0.000 2.265 15 R HA 0.558 4.898 4.340 0.000 0.000 0.328 15 R C -0.732 175.624 176.300 0.093 0.000 0.969 15 R CA -0.585 55.543 56.100 0.046 0.000 0.832 15 R CB 2.035 32.352 30.300 0.028 0.000 1.139 15 R HN 0.357 nan 8.270 nan 0.000 0.457 16 V N 5.918 125.897 119.914 0.109 0.000 2.607 16 V HA 0.215 4.335 4.120 0.000 0.000 0.289 16 V C -1.852 174.216 176.094 -0.042 0.000 1.053 16 V CA -1.976 60.379 62.300 0.091 0.000 0.996 16 V CB 1.653 33.593 31.823 0.195 0.000 0.995 16 V HN 0.657 nan 8.190 nan 0.000 0.476 17 P HA 0.070 nan 4.420 nan 0.000 0.266 17 P C 0.242 177.481 177.300 -0.101 0.000 1.186 17 P CA 0.290 63.289 63.100 -0.168 0.000 0.767 17 P CB 0.249 31.771 31.700 -0.296 0.000 0.820 18 G N 1.527 110.284 108.800 -0.073 0.000 2.664 18 G HA2 0.008 3.968 3.960 0.000 0.000 0.242 18 G HA3 0.008 3.968 3.960 0.000 0.000 0.242 18 G C -0.291 174.567 174.900 -0.070 0.000 1.225 18 G CA -0.355 44.711 45.100 -0.057 0.000 0.849 18 G HN 0.537 nan 8.290 nan 0.000 0.581 19 D N -0.070 120.289 120.400 -0.068 0.000 2.350 19 D HA 0.049 4.689 4.640 0.000 0.000 0.249 19 D C 1.096 177.328 176.300 -0.113 0.000 1.119 19 D CA -0.247 53.702 54.000 -0.085 0.000 0.886 19 D CB 1.031 41.763 40.800 -0.113 0.000 1.195 19 D HN 0.411 nan 8.370 nan 0.000 0.437 20 K N 1.785 122.126 120.400 -0.099 0.000 2.057 20 K HA -0.090 4.230 4.320 0.000 0.000 0.206 20 K C 1.816 178.358 176.600 -0.097 0.000 1.050 20 K CA 0.716 56.924 56.287 -0.131 0.000 0.935 20 K CB 0.186 32.653 32.500 -0.055 0.000 0.715 20 K HN 0.269 nan 8.250 nan 0.000 0.439 21 S N 0.979 116.659 115.700 -0.034 0.000 2.383 21 S HA -0.057 4.413 4.470 0.000 0.000 0.227 21 S C 1.860 176.449 174.600 -0.018 0.000 1.026 21 S CA 0.985 59.208 58.200 0.038 0.000 0.981 21 S CB -0.098 63.110 63.200 0.013 0.000 0.818 21 S HN 0.238 nan 8.310 nan 0.000 0.472 22 I N 1.136 121.603 120.570 -0.171 0.000 2.353 22 I HA -0.085 4.085 4.170 0.000 0.000 0.248 22 I C 2.269 178.377 176.117 -0.015 0.000 1.119 22 I CA 0.684 61.928 61.300 -0.094 0.000 1.417 22 I CB -0.229 37.683 38.000 -0.146 0.000 1.078 22 I HN 0.158 nan 8.210 nan 0.000 0.421 23 S N -0.603 115.055 115.700 -0.071 0.000 2.402 23 S HA -0.195 4.275 4.470 0.000 0.000 0.229 23 S C 1.857 176.421 174.600 -0.060 0.000 1.021 23 S CA 1.209 59.355 58.200 -0.090 0.000 0.974 23 S CB -0.429 62.669 63.200 -0.171 0.000 0.800 23 S HN 0.527 nan 8.310 nan 0.000 0.484 24 H N 0.580 119.658 119.070 0.013 0.000 2.326 24 H HA 0.111 4.667 4.556 0.000 0.000 0.301 24 H C 2.450 177.796 175.328 0.030 0.000 1.081 24 H CA 1.116 57.178 56.048 0.024 0.000 1.334 24 H CB 0.111 29.900 29.762 0.046 0.000 1.385 24 H HN 0.150 nan 8.280 nan 0.000 0.504 25 R N 0.301 120.939 120.500 0.230 0.000 2.148 25 R HA -0.086 4.254 4.340 0.000 0.000 0.223 25 R C 2.527 178.961 176.300 0.222 0.000 1.088 25 R CA 1.125 57.397 56.100 0.286 0.000 0.985 25 R CB 0.067 30.626 30.300 0.432 0.000 0.880 25 R HN 0.345 nan 8.270 nan 0.000 0.451 26 S N 0.457 116.233 115.700 0.127 0.000 2.399 26 S HA -0.085 4.385 4.470 0.000 0.000 0.231 26 S C 1.871 176.474 174.600 0.004 0.000 1.022 26 S CA 0.840 59.102 58.200 0.104 0.000 0.983 26 S CB -0.140 63.112 63.200 0.086 0.000 0.803 26 S HN 0.101 nan 8.310 nan 0.000 0.480 27 I N 1.686 122.202 120.570 -0.089 0.000 2.406 27 I HA 0.065 4.235 4.170 0.000 0.000 0.249 27 I C 2.369 178.143 176.117 -0.573 0.000 1.122 27 I CA 0.619 61.767 61.300 -0.254 0.000 1.431 27 I CB -1.195 36.681 38.000 -0.206 0.000 1.087 27 I HN 0.314 nan 8.210 nan 0.000 0.424 28 I N 0.201 120.438 120.570 -0.556 0.000 2.163 28 I HA -0.276 3.894 4.170 0.000 0.000 0.240 28 I C 2.462 178.195 176.117 -0.640 0.000 1.081 28 I CA 1.594 62.415 61.300 -0.797 0.000 1.353 28 I CB -0.456 37.150 38.000 -0.657 0.000 1.054 28 I HN -0.024 nan 8.210 nan 0.000 0.407 29 F N 0.834 120.489 119.950 -0.492 0.000 2.234 29 F HA -0.073 4.454 4.527 0.000 0.000 0.299 29 F C 2.486 177.866 175.800 -0.699 0.000 1.087 29 F CA 1.321 58.883 58.000 -0.729 0.000 1.340 29 F CB -0.689 37.553 39.000 -1.263 0.000 1.031 29 F HN 0.025 nan 8.300 nan 0.000 0.500 30 G N -1.300 107.375 108.800 -0.208 0.000 2.421 30 G HA2 -0.173 3.787 3.960 0.000 0.000 0.217 30 G HA3 -0.173 3.787 3.960 0.000 0.000 0.217 30 G C 1.751 176.642 174.900 -0.016 0.000 1.143 30 G CA 0.972 46.121 45.100 0.081 0.000 0.784 30 G HN 0.315 nan 8.290 nan 0.000 0.541 31 S N 0.102 115.686 115.700 -0.194 0.000 2.414 31 S HA 0.058 4.528 4.470 0.000 0.000 0.227 31 S C 1.905 176.471 174.600 -0.058 0.000 1.022 31 S CA 0.275 58.386 58.200 -0.149 0.000 0.958 31 S CB -0.009 63.004 63.200 -0.312 0.000 0.797 31 S HN 0.147 nan 8.310 nan 0.000 0.493 32 L N 0.995 122.155 121.223 -0.105 0.000 2.509 32 L HA 0.367 4.707 4.340 0.000 0.000 0.222 32 L C 1.081 177.972 176.870 0.036 0.000 1.123 32 L CA 0.110 54.923 54.840 -0.044 0.000 0.856 32 L CB -0.991 40.990 42.059 -0.130 0.000 0.985 32 L HN 0.174 nan 8.230 nan 0.000 0.456 33 A N -0.870 122.003 122.820 0.087 0.000 2.246 33 A HA 0.440 4.760 4.320 0.000 0.000 0.291 33 A C -0.085 177.578 177.584 0.132 0.000 1.103 33 A CA -0.383 51.763 52.037 0.182 0.000 0.844 33 A CB 0.281 19.510 19.000 0.382 0.000 1.136 33 A HN 0.183 nan 8.150 nan 0.000 0.500 34 E N -0.985 119.292 120.200 0.128 0.000 2.191 34 E HA 0.526 4.876 4.350 0.000 0.000 0.278 34 E C 0.427 177.076 176.600 0.081 0.000 0.972 34 E CA 1.028 57.482 56.400 0.090 0.000 0.804 34 E CB 1.371 31.116 29.700 0.075 0.000 1.110 34 E HN 1.447 nan 8.360 nan 0.000 0.394 35 G N 2.695 111.532 108.800 0.062 0.000 2.582 35 G HA2 -0.188 3.772 3.960 0.000 0.000 0.222 35 G HA3 -0.188 3.772 3.960 0.000 0.000 0.222 35 G C -0.951 173.979 174.900 0.051 0.000 1.311 35 G CA -0.300 44.829 45.100 0.048 0.000 0.915 35 G HN 0.639 nan 8.290 nan 0.000 0.528 36 E N -1.320 118.903 120.200 0.037 0.000 2.202 36 E HA 0.734 5.084 4.350 0.000 0.000 0.272 36 E C -0.695 175.926 176.600 0.035 0.000 0.951 36 E CA -0.674 55.746 56.400 0.033 0.000 0.813 36 E CB 1.906 31.616 29.700 0.018 0.000 1.151 36 E HN 0.441 nan 8.360 nan 0.000 0.398 37 T N 2.706 117.286 114.554 0.044 0.000 2.809 37 T HA 0.304 4.654 4.350 0.000 0.000 0.284 37 T C -0.698 174.003 174.700 0.002 0.000 0.992 37 T CA -0.918 61.213 62.100 0.052 0.000 0.957 37 T CB 0.892 69.863 68.868 0.171 0.000 0.942 37 T HN 0.322 nan 8.240 nan 0.000 0.439 38 K N 2.903 123.291 120.400 -0.021 0.000 2.293 38 K HA 0.570 4.890 4.320 0.000 0.000 0.267 38 K C -0.839 175.667 176.600 -0.157 0.000 1.010 38 K CA -0.659 55.557 56.287 -0.119 0.000 0.875 38 K CB 1.782 34.240 32.500 -0.068 0.000 1.106 38 K HN 0.323 nan 8.250 nan 0.000 0.450 39 V N 4.324 124.081 119.914 -0.262 0.000 2.398 39 V HA 0.356 4.476 4.120 0.000 0.000 0.286 39 V C -0.826 175.062 176.094 -0.343 0.000 1.026 39 V CA -0.888 61.310 62.300 -0.170 0.000 0.868 39 V CB 0.381 32.160 31.823 -0.073 0.000 0.982 39 V HN 0.569 nan 8.190 nan 0.000 0.443 40 Y N 1.398 121.697 120.300 -0.003 0.000 2.429 40 Y HA 0.425 4.975 4.550 0.000 0.000 0.342 40 Y C 0.742 176.635 175.900 -0.011 0.000 1.004 40 Y CA -0.850 57.245 58.100 -0.008 0.000 1.075 40 Y CB 1.477 39.931 38.460 -0.010 0.000 1.214 40 Y HN 0.755 nan 8.280 nan 0.000 0.455 41 D N 1.574 122.057 120.400 0.139 0.000 2.699 41 D HA -0.247 4.393 4.640 0.000 0.000 0.239 41 D C -0.349 175.964 176.300 0.021 0.000 1.136 41 D CA 0.640 54.680 54.000 0.068 0.000 0.668 41 D CB -0.593 40.247 40.800 0.065 0.000 1.060 41 D HN 0.464 nan 8.370 nan 0.000 0.429 42 I N 0.429 120.999 120.570 -0.001 0.000 2.779 42 I HA 0.017 4.187 4.170 0.000 0.000 0.285 42 I C 0.655 176.744 176.117 -0.047 0.000 1.134 42 I CA -0.397 60.884 61.300 -0.032 0.000 1.398 42 I CB 0.724 38.697 38.000 -0.045 0.000 1.404 42 I HN 0.059 nan 8.210 nan 0.000 0.587 43 L N 7.837 129.015 121.223 -0.075 0.000 2.385 43 L HA 0.191 4.531 4.340 0.000 0.000 0.281 43 L C 0.082 176.902 176.870 -0.084 0.000 1.106 43 L CA 0.059 54.846 54.840 -0.089 0.000 0.856 43 L CB -0.005 41.981 42.059 -0.121 0.000 1.186 43 L HN 0.691 nan 8.230 nan 0.000 0.453 44 R N 3.985 124.449 120.500 -0.060 0.000 2.608 44 R HA 0.411 4.751 4.340 0.000 0.000 0.277 44 R C 0.007 176.281 176.300 -0.043 0.000 1.341 44 R CA -0.066 56.008 56.100 -0.045 0.000 1.199 44 R CB 0.305 30.590 30.300 -0.026 0.000 1.156 44 R HN 0.855 nan 8.270 nan 0.000 0.558 45 G N 0.302 109.071 108.800 -0.051 0.000 2.818 45 G HA2 0.064 4.024 3.960 0.000 0.000 0.286 45 G HA3 0.064 4.024 3.960 0.000 0.000 0.286 45 G C -0.144 174.745 174.900 -0.018 0.000 1.364 45 G CA -0.475 44.601 45.100 -0.039 0.000 0.938 45 G HN 0.498 nan 8.290 nan 0.000 0.490 46 E N -0.901 119.297 120.200 -0.004 0.000 2.150 46 E HA -0.130 4.220 4.350 0.000 0.000 0.193 46 E C 1.269 177.887 176.600 0.031 0.000 0.985 46 E CA 1.188 57.593 56.400 0.010 0.000 0.814 46 E CB 0.202 29.908 29.700 0.010 0.000 0.752 46 E HN 0.425 nan 8.360 nan 0.000 0.466 47 D N -0.425 120.010 120.400 0.058 0.000 2.162 47 D HA -0.093 4.547 4.640 0.000 0.000 0.203 47 D C 1.983 178.444 176.300 0.269 0.000 0.967 47 D CA 0.606 54.701 54.000 0.158 0.000 0.840 47 D CB 0.060 40.993 40.800 0.221 0.000 0.972 47 D HN 0.072 nan 8.370 nan 0.000 0.482 48 V N 0.829 120.785 119.914 0.069 0.000 2.453 48 V HA -0.119 4.001 4.120 0.000 0.000 0.247 48 V C 2.514 178.636 176.094 0.046 0.000 1.048 48 V CA 0.856 63.140 62.300 -0.027 0.000 1.049 48 V CB -0.357 31.343 31.823 -0.205 0.000 0.672 48 V HN 0.152 nan 8.190 nan 0.000 0.457 49 L N -0.081 121.157 121.223 0.025 0.000 2.275 49 L HA -0.106 4.234 4.340 0.000 0.000 0.215 49 L C 2.545 179.436 176.870 0.034 0.000 1.119 49 L CA 1.114 55.967 54.840 0.022 0.000 0.790 49 L CB -0.370 41.693 42.059 0.007 0.000 0.919 49 L HN 0.297 nan 8.230 nan 0.000 0.443 50 S N -1.051 114.676 115.700 0.045 0.000 2.383 50 S HA -0.145 4.325 4.470 0.000 0.000 0.227 50 S C 1.971 176.597 174.600 0.042 0.000 1.026 50 S CA 1.708 59.920 58.200 0.021 0.000 0.981 50 S CB -0.200 63.001 63.200 0.002 0.000 0.818 50 S HN 0.449 nan 8.310 nan 0.000 0.472 51 T N 2.248 116.867 114.554 0.107 0.000 2.821 51 T HA 0.064 4.414 4.350 0.000 0.000 0.267 51 T C 1.784 176.617 174.700 0.222 0.000 1.046 51 T CA 0.949 63.153 62.100 0.173 0.000 1.139 51 T CB -0.257 68.758 68.868 0.244 0.000 0.871 51 T HN 0.284 nan 8.240 nan 0.000 0.454 52 M N 0.653 120.331 119.600 0.130 0.000 2.159 52 M HA -0.109 4.371 4.480 0.000 0.000 0.263 52 M C 2.549 178.910 176.300 0.101 0.000 1.063 52 M CA 1.390 56.749 55.300 0.097 0.000 1.110 52 M CB -0.194 32.430 32.600 0.040 0.000 1.374 52 M HN 0.102 nan 8.290 nan 0.000 0.411 53 Q N -0.055 119.784 119.800 0.066 0.000 2.187 53 Q HA -0.049 4.291 4.340 0.000 0.000 0.199 53 Q C 1.759 177.773 176.000 0.024 0.000 0.957 53 Q CA 1.224 57.049 55.803 0.035 0.000 0.857 53 Q CB -0.204 28.539 28.738 0.008 0.000 0.929 53 Q HN 0.322 nan 8.270 nan 0.000 0.453 54 V N 0.128 120.050 119.914 0.013 0.000 2.295 54 V HA -0.228 3.892 4.120 0.000 0.000 0.246 54 V C 1.756 177.776 176.094 -0.124 0.000 1.049 54 V CA 1.855 64.104 62.300 -0.084 0.000 1.024 54 V CB -0.571 31.158 31.823 -0.156 0.000 0.648 54 V HN 0.333 nan 8.190 nan 0.000 0.447 55 F N -0.217 119.705 119.950 -0.046 0.000 2.325 55 F HA -0.041 4.486 4.527 0.000 0.000 0.299 55 F C 2.559 178.339 175.800 -0.035 0.000 1.090 55 F CA 1.186 59.159 58.000 -0.045 0.000 1.392 55 F CB -0.314 38.653 39.000 -0.055 0.000 1.053 55 F HN -0.054 nan 8.300 nan 0.000 0.521 56 R N 0.188 120.768 120.500 0.134 0.000 2.115 56 R HA -0.136 4.204 4.340 0.000 0.000 0.230 56 R C 1.496 177.807 176.300 0.018 0.000 1.111 56 R CA 1.419 57.557 56.100 0.063 0.000 0.976 56 R CB -0.370 29.956 30.300 0.044 0.000 0.870 56 R HN 0.254 nan 8.270 nan 0.000 0.445 57 D N 0.454 120.850 120.400 -0.007 0.000 2.269 57 D HA -0.079 4.561 4.640 0.000 0.000 0.208 57 D C 1.567 177.827 176.300 -0.066 0.000 0.963 57 D CA 0.822 54.799 54.000 -0.038 0.000 0.864 57 D CB 0.148 40.920 40.800 -0.047 0.000 0.936 57 D HN 0.211 nan 8.370 nan 0.000 0.505 58 L N -0.416 120.769 121.223 -0.064 0.000 2.599 58 L HA 0.158 4.498 4.340 0.000 0.000 0.230 58 L C 1.291 178.139 176.870 -0.038 0.000 1.141 58 L CA 0.324 55.117 54.840 -0.078 0.000 0.877 58 L CB 0.108 42.110 42.059 -0.094 0.000 1.009 58 L HN 0.084 nan 8.230 nan 0.000 0.447 59 G N -0.104 108.688 108.800 -0.014 0.000 2.131 59 G HA2 -0.202 3.758 3.960 0.000 0.000 0.201 59 G HA3 -0.202 3.758 3.960 0.000 0.000 0.201 59 G C -0.070 174.847 174.900 0.029 0.000 1.000 59 G CA -0.208 44.889 45.100 -0.005 0.000 0.680 59 G HN 0.054 nan 8.290 nan 0.000 0.514 60 V N 0.660 120.610 119.914 0.061 0.000 2.394 60 V HA 0.417 4.537 4.120 0.000 0.000 0.282 60 V C 0.731 176.853 176.094 0.045 0.000 1.031 60 V CA -0.692 61.650 62.300 0.070 0.000 0.881 60 V CB 1.844 33.741 31.823 0.123 0.000 0.982 60 V HN 0.370 nan 8.190 nan 0.000 0.451 61 E N 4.590 124.807 120.200 0.028 0.000 1.944 61 E HA 0.294 4.644 4.350 0.000 0.000 0.272 61 E C -1.013 175.593 176.600 0.009 0.000 1.195 61 E CA -0.135 56.274 56.400 0.016 0.000 0.926 61 E CB 0.296 30.003 29.700 0.011 0.000 1.051 61 E HN 0.551 nan 8.360 nan 0.000 0.404 62 I N 3.844 124.419 120.570 0.009 0.000 2.389 62 I HA 0.203 4.373 4.170 0.000 0.000 0.288 62 I C 0.045 176.157 176.117 -0.008 0.000 0.999 62 I CA -0.405 60.893 61.300 -0.004 0.000 1.129 62 I CB 1.681 39.681 38.000 -0.001 0.000 1.288 62 I HN 0.370 nan 8.210 nan 0.000 0.444 63 E N 5.194 125.383 120.200 -0.018 0.000 2.151 63 E HA 0.157 4.507 4.350 0.000 0.000 0.275 63 E C -0.975 175.607 176.600 -0.030 0.000 0.936 63 E CA -0.513 55.875 56.400 -0.020 0.000 0.777 63 E CB 1.214 30.902 29.700 -0.020 0.000 1.108 63 E HN 0.442 nan 8.360 nan 0.000 0.401 64 D N 4.828 125.214 120.400 -0.023 0.000 2.973 64 D HA 0.093 4.733 4.640 0.000 0.000 0.263 64 D C -0.868 175.418 176.300 -0.023 0.000 1.266 64 D CA -0.142 53.842 54.000 -0.027 0.000 0.975 64 D CB 0.106 40.895 40.800 -0.018 0.000 1.032 64 D HN 0.206 nan 8.370 nan 0.000 0.510 65 K N 2.271 122.654 120.400 -0.029 0.000 2.285 65 K HA 0.095 4.415 4.320 0.000 0.000 0.286 65 K C 0.270 176.858 176.600 -0.020 0.000 1.072 65 K CA -0.338 55.937 56.287 -0.020 0.000 0.913 65 K CB 0.851 33.340 32.500 -0.019 0.000 1.067 65 K HN 0.301 nan 8.250 nan 0.000 0.479 66 D N 2.198 122.593 120.400 -0.009 0.000 3.452 66 D HA -0.246 4.394 4.640 0.000 0.000 0.164 66 D C 0.752 177.048 176.300 -0.006 0.000 1.074 66 D CA 1.733 55.732 54.000 -0.001 0.000 1.069 66 D CB -0.721 40.084 40.800 0.009 0.000 0.527 66 D HN 0.761 nan 8.370 nan 0.000 0.558 67 G N -0.155 108.647 108.800 0.003 0.000 3.284 67 G HA2 0.426 4.386 3.960 0.000 0.000 0.236 67 G HA3 0.426 4.386 3.960 0.000 0.000 0.236 67 G C 0.126 175.007 174.900 -0.030 0.000 1.158 67 G CA 0.190 45.292 45.100 0.002 0.000 0.774 67 G HN 0.282 nan 8.290 nan 0.000 0.545 68 V N 2.153 122.022 119.914 -0.075 0.000 2.459 68 V HA 0.436 4.556 4.120 0.000 0.000 0.295 68 V C -0.502 175.484 176.094 -0.181 0.000 1.029 68 V CA -1.063 61.111 62.300 -0.210 0.000 0.874 68 V CB 1.981 33.659 31.823 -0.241 0.000 0.985 68 V HN 0.036 nan 8.190 nan 0.000 0.438 69 I N 3.331 123.767 120.570 -0.224 0.000 2.339 69 I HA 0.417 4.587 4.170 0.000 0.000 0.290 69 I C 0.210 176.237 176.117 -0.150 0.000 0.994 69 I CA -0.041 61.172 61.300 -0.145 0.000 1.191 69 I CB 1.322 39.258 38.000 -0.107 0.000 1.343 69 I HN 0.573 nan 8.210 nan 0.000 0.458 70 T N 5.939 120.434 114.554 -0.099 0.000 2.772 70 T HA 0.522 4.872 4.350 0.000 0.000 0.288 70 T C 0.011 174.686 174.700 -0.040 0.000 0.994 70 T CA -0.467 61.590 62.100 -0.072 0.000 0.951 70 T CB 1.740 70.574 68.868 -0.057 0.000 0.933 70 T HN 0.246 nan 8.240 nan 0.000 0.447 71 V N 4.599 124.498 119.914 -0.026 0.000 2.384 71 V HA 0.335 4.455 4.120 0.000 0.000 0.287 71 V C -0.220 175.878 176.094 0.007 0.000 1.020 71 V CA -0.988 61.303 62.300 -0.014 0.000 0.850 71 V CB 1.606 33.413 31.823 -0.026 0.000 0.987 71 V HN 0.723 nan 8.190 nan 0.000 0.436 72 Q N 3.348 123.154 119.800 0.009 0.000 2.337 72 Q HA 0.357 4.697 4.340 0.000 0.000 0.255 72 Q C 0.544 176.561 176.000 0.028 0.000 0.997 72 Q CA -0.006 55.809 55.803 0.020 0.000 0.925 72 Q CB 1.631 30.379 28.738 0.017 0.000 1.212 72 Q HN 0.902 nan 8.270 nan 0.000 0.436 73 G N 0.806 109.631 108.800 0.041 0.000 2.483 73 G HA2 0.308 4.269 3.960 0.000 0.000 0.248 73 G HA3 0.308 4.269 3.960 0.000 0.000 0.248 73 G C 0.876 175.804 174.900 0.048 0.000 1.248 73 G CA -0.332 44.797 45.100 0.049 0.000 0.838 73 G HN 0.481 nan 8.290 nan 0.000 0.566 74 V N -0.125 119.819 119.914 0.050 0.000 3.570 74 V HA 0.678 4.798 4.120 0.000 0.000 0.257 74 V C 1.176 177.303 176.094 0.054 0.000 1.272 74 V CA 0.799 63.130 62.300 0.052 0.000 1.079 74 V CB -0.737 31.121 31.823 0.058 0.000 0.829 74 V HN 2.042 nan 8.190 nan 0.000 0.454 75 G N 0.037 108.871 108.800 0.057 0.000 2.434 75 G HA2 -0.098 3.862 3.960 0.000 0.000 0.671 75 G HA3 -0.098 3.862 3.960 0.000 0.000 0.671 75 G C -0.087 174.844 174.900 0.051 0.000 1.280 75 G CA -0.034 45.100 45.100 0.057 0.000 0.975 75 G HN 0.004 nan 8.290 nan 0.000 0.510 76 M N 0.141 119.770 119.600 0.048 0.000 2.254 76 M HA 0.123 4.603 4.480 0.000 0.000 0.265 76 M C 2.143 178.463 176.300 0.033 0.000 1.066 76 M CA 2.087 57.409 55.300 0.037 0.000 1.123 76 M CB -0.629 31.996 32.600 0.041 0.000 1.388 76 M HN 1.335 nan 8.290 nan 0.000 0.425 77 A N -0.492 122.352 122.820 0.039 0.000 3.041 77 A HA 0.575 4.895 4.320 0.000 0.000 0.307 77 A C 1.208 178.827 177.584 0.059 0.000 1.116 77 A CA -0.036 52.025 52.037 0.040 0.000 1.001 77 A CB -0.765 18.253 19.000 0.029 0.000 1.112 77 A HN 0.456 nan 8.150 nan 0.000 0.556 78 G N -0.603 108.239 108.800 0.069 0.000 3.079 78 G HA2 0.373 4.333 3.960 0.000 0.000 0.233 78 G HA3 0.373 4.333 3.960 0.000 0.000 0.233 78 G C 0.338 175.293 174.900 0.092 0.000 1.062 78 G CA -0.115 45.028 45.100 0.073 0.000 0.809 78 G HN 0.398 nan 8.290 nan 0.000 0.535 79 L N 1.879 123.177 121.223 0.124 0.000 2.367 79 L HA 0.365 4.705 4.340 0.000 0.000 0.275 79 L C 0.494 177.496 176.870 0.219 0.000 1.129 79 L CA -0.415 54.519 54.840 0.157 0.000 0.839 79 L CB 1.077 43.242 42.059 0.177 0.000 1.133 79 L HN 0.199 nan 8.230 nan 0.000 0.453 80 K N 2.614 123.026 120.400 0.019 0.000 2.211 80 K HA 0.832 5.152 4.320 0.000 0.000 0.237 80 K C -0.520 175.592 176.600 -0.813 0.000 1.002 80 K CA -0.922 55.218 56.287 -0.245 0.000 0.885 80 K CB 1.306 33.709 32.500 -0.160 0.000 1.136 80 K HN 0.445 nan 8.250 nan 0.000 0.448 81 A N 2.187 124.218 122.820 -1.314 0.000 2.520 81 A HA 0.256 4.576 4.320 0.000 0.000 0.245 81 A C -1.913 175.346 177.584 -0.541 0.000 1.072 81 A CA -0.976 50.260 52.037 -1.335 0.000 0.761 81 A CB -0.796 17.677 19.000 -0.880 0.000 1.004 81 A HN 0.664 nan 8.150 nan 0.000 0.499 82 P HA 0.136 nan 4.420 nan 0.000 0.274 82 P C 0.196 177.421 177.300 -0.123 0.000 1.237 82 P CA -0.259 62.736 63.100 -0.175 0.000 0.793 82 P CB 0.733 32.370 31.700 -0.105 0.000 0.977 83 Q N 0.400 120.152 119.800 -0.080 0.000 2.137 83 Q HA 0.040 4.380 4.340 0.000 0.000 0.198 83 Q C 0.510 176.492 176.000 -0.030 0.000 0.960 83 Q CA 1.359 57.129 55.803 -0.054 0.000 0.847 83 Q CB 0.064 28.778 28.738 -0.040 0.000 0.915 83 Q HN 0.577 nan 8.270 nan 0.000 0.448 84 N N -0.880 117.813 118.700 -0.012 0.000 3.038 84 N HA 0.465 5.205 4.740 0.000 0.000 0.307 84 N C -1.007 174.532 175.510 0.049 0.000 1.441 84 N CA -0.449 52.611 53.050 0.017 0.000 0.772 84 N CB 0.771 39.277 38.487 0.032 0.000 1.651 84 N HN -0.052 nan 8.380 nan 0.000 0.593 85 A N 0.573 123.452 122.820 0.098 0.000 2.425 85 A HA 0.321 4.641 4.320 0.000 0.000 0.249 85 A C -0.263 177.486 177.584 0.274 0.000 1.084 85 A CA -0.158 51.995 52.037 0.194 0.000 0.781 85 A CB -0.220 18.903 19.000 0.205 0.000 1.019 85 A HN 0.401 nan 8.150 nan 0.000 0.490 86 L N 2.961 124.276 121.223 0.154 0.000 2.315 86 L HA 0.147 4.488 4.340 0.000 0.000 0.283 86 L C 0.843 177.538 176.870 -0.292 0.000 1.089 86 L CA 0.277 55.101 54.840 -0.026 0.000 0.833 86 L CB 0.101 42.115 42.059 -0.074 0.000 1.170 86 L HN 0.821 nan 8.230 nan 0.000 0.442 87 N N 3.965 122.407 118.700 -0.431 0.000 2.422 87 N HA 0.115 4.855 4.740 0.000 0.000 0.264 87 N C 0.465 175.700 175.510 -0.458 0.000 1.063 87 N CA -0.472 52.077 53.050 -0.834 0.000 0.959 87 N CB 0.800 38.973 38.487 -0.524 0.000 1.087 87 N HN 0.528 nan 8.380 nan 0.000 0.483 88 M N 2.436 121.759 119.600 -0.461 0.000 2.514 88 M HA 0.153 4.633 4.480 0.000 0.000 0.258 88 M C 1.419 177.620 176.300 -0.166 0.000 1.159 88 M CA 0.376 55.531 55.300 -0.241 0.000 1.116 88 M CB -0.756 31.728 32.600 -0.194 0.000 1.333 88 M HN 0.823 nan 8.290 nan 0.000 0.487 89 G N 2.145 110.831 108.800 -0.190 0.000 2.559 89 G HA2 -0.339 3.621 3.960 0.000 0.000 0.282 89 G HA3 -0.339 3.621 3.960 0.000 0.000 0.282 89 G C 0.604 175.473 174.900 -0.051 0.000 1.177 89 G CA 0.457 45.499 45.100 -0.096 0.000 0.960 89 G HN 0.427 nan 8.290 nan 0.000 0.540 90 N N 0.941 119.627 118.700 -0.022 0.000 2.282 90 N HA 0.114 4.854 4.740 0.000 0.000 0.185 90 N C 0.856 176.366 175.510 -0.000 0.000 1.099 90 N CA 0.995 54.044 53.050 -0.003 0.000 0.878 90 N CB 0.215 38.709 38.487 0.013 0.000 0.993 90 N HN 0.524 nan 8.380 nan 0.000 0.481 91 S N -0.310 115.385 115.700 -0.008 0.000 2.481 91 S HA 0.214 4.684 4.470 0.000 0.000 0.282 91 S C 1.275 175.848 174.600 -0.046 0.000 1.243 91 S CA -0.228 57.964 58.200 -0.014 0.000 1.078 91 S CB 0.765 63.952 63.200 -0.022 0.000 0.916 91 S HN 0.393 nan 8.310 nan 0.000 0.495 92 G N 3.399 112.181 108.800 -0.030 0.000 2.494 92 G HA2 -0.066 3.894 3.960 0.000 0.000 0.216 92 G HA3 -0.066 3.894 3.960 0.000 0.000 0.216 92 G C 1.225 176.090 174.900 -0.057 0.000 1.140 92 G CA 0.648 45.730 45.100 -0.030 0.000 0.801 92 G HN 0.702 nan 8.290 nan 0.000 0.536 93 T N 0.799 115.289 114.554 -0.106 0.000 2.951 93 T HA -0.023 4.327 4.350 0.000 0.000 0.268 93 T C 2.733 177.308 174.700 -0.208 0.000 1.073 93 T CA 1.194 63.196 62.100 -0.163 0.000 1.134 93 T CB -0.043 68.662 68.868 -0.272 0.000 0.884 93 T HN 0.201 nan 8.240 nan 0.000 0.479 94 S N 1.766 117.325 115.700 -0.235 0.000 2.344 94 S HA -0.063 4.407 4.470 0.000 0.000 0.217 94 S C 2.104 176.634 174.600 -0.118 0.000 1.033 94 S CA 1.397 59.491 58.200 -0.177 0.000 1.017 94 S CB -0.409 62.707 63.200 -0.139 0.000 0.941 94 S HN 0.584 nan 8.310 nan 0.000 0.430 95 I N 1.216 121.726 120.570 -0.100 0.000 2.208 95 I HA -0.162 4.008 4.170 0.000 0.000 0.245 95 I C 2.418 178.498 176.117 -0.062 0.000 1.097 95 I CA 1.443 62.694 61.300 -0.081 0.000 1.363 95 I CB -0.523 37.440 38.000 -0.063 0.000 1.051 95 I HN 0.055 nan 8.210 nan 0.000 0.413 96 R N 0.882 121.355 120.500 -0.047 0.000 2.066 96 R HA -0.003 4.337 4.340 0.000 0.000 0.232 96 R C 2.401 178.701 176.300 0.001 0.000 1.131 96 R CA 1.394 57.482 56.100 -0.021 0.000 0.955 96 R CB -0.451 29.845 30.300 -0.007 0.000 0.851 96 R HN 0.386 nan 8.270 nan 0.000 0.432 97 L N 0.236 121.463 121.223 0.007 0.000 2.044 97 L HA -0.116 4.224 4.340 0.000 0.000 0.205 97 L C 2.379 179.230 176.870 -0.032 0.000 1.075 97 L CA 1.194 56.073 54.840 0.066 0.000 0.747 97 L CB -0.365 41.746 42.059 0.087 0.000 0.903 97 L HN 0.174 nan 8.230 nan 0.000 0.435 98 I N -0.616 119.895 120.570 -0.098 0.000 2.493 98 I HA -0.231 3.939 4.170 0.000 0.000 0.254 98 I C 2.567 178.601 176.117 -0.138 0.000 1.160 98 I CA 0.754 61.953 61.300 -0.167 0.000 1.445 98 I CB -0.143 37.719 38.000 -0.230 0.000 1.086 98 I HN 0.141 nan 8.210 nan 0.000 0.433 99 S N 0.578 116.224 115.700 -0.089 0.000 2.382 99 S HA -0.126 4.344 4.470 0.000 0.000 0.228 99 S C 2.099 176.664 174.600 -0.058 0.000 1.027 99 S CA 1.439 59.595 58.200 -0.073 0.000 0.991 99 S CB -0.512 62.655 63.200 -0.054 0.000 0.823 99 S HN 0.656 nan 8.310 nan 0.000 0.469 100 G N 0.601 109.389 108.800 -0.019 0.000 2.464 100 G HA2 -0.048 3.912 3.960 0.000 0.000 0.217 100 G HA3 -0.048 3.912 3.960 0.000 0.000 0.217 100 G C 1.364 176.274 174.900 0.017 0.000 1.138 100 G CA 0.521 45.634 45.100 0.023 0.000 0.793 100 G HN 0.424 nan 8.290 nan 0.000 0.539 101 V N 0.807 120.688 119.914 -0.054 0.000 2.379 101 V HA 0.011 4.131 4.120 0.000 0.000 0.245 101 V C 2.568 178.599 176.094 -0.105 0.000 1.044 101 V CA 1.022 63.252 62.300 -0.116 0.000 1.036 101 V CB -0.270 31.418 31.823 -0.225 0.000 0.664 101 V HN 0.296 nan 8.190 nan 0.000 0.453 102 L N 0.489 121.634 121.223 -0.131 0.000 2.599 102 L HA 0.237 4.577 4.340 0.000 0.000 0.230 102 L C 1.296 178.066 176.870 -0.166 0.000 1.141 102 L CA -0.075 54.671 54.840 -0.158 0.000 0.877 102 L CB -0.328 41.637 42.059 -0.157 0.000 1.009 102 L HN 0.268 nan 8.230 nan 0.000 0.447 103 A N 0.329 123.081 122.820 -0.114 0.000 2.545 103 A HA 0.470 4.790 4.320 0.000 0.000 0.297 103 A C 1.166 178.688 177.584 -0.102 0.000 1.340 103 A CA 0.670 52.646 52.037 -0.102 0.000 1.016 103 A CB -0.556 18.404 19.000 -0.067 0.000 1.122 103 A HN 0.495 nan 8.150 nan 0.000 0.537 104 G N 0.746 109.463 108.800 -0.138 0.000 2.273 104 G HA2 0.253 4.213 3.960 0.000 0.000 0.162 104 G HA3 0.253 4.213 3.960 0.000 0.000 0.162 104 G C 0.373 175.158 174.900 -0.192 0.000 1.006 104 G CA -0.040 44.984 45.100 -0.127 0.000 0.704 104 G HN 1.800 nan 8.290 nan 0.000 0.487 105 A N 0.398 123.021 122.820 -0.328 0.000 2.363 105 A HA 0.589 4.909 4.320 0.000 0.000 0.270 105 A C 0.329 177.531 177.584 -0.636 0.000 1.121 105 A CA 0.344 52.006 52.037 -0.625 0.000 0.800 105 A CB 0.546 18.887 19.000 -1.099 0.000 1.052 105 A HN 0.122 nan 8.150 nan 0.000 0.493 106 D N 1.704 121.818 120.400 -0.476 0.000 2.870 106 D HA 0.404 5.044 4.640 0.000 0.000 0.241 106 D C -0.845 175.436 176.300 -0.032 0.000 1.234 106 D CA 0.521 54.413 54.000 -0.179 0.000 0.844 106 D CB -0.747 40.046 40.800 -0.012 0.000 1.051 106 D HN 0.381 nan 8.370 nan 0.000 0.469 107 F N -2.159 117.776 119.950 -0.024 0.000 2.713 107 F HA 0.489 5.016 4.527 0.000 0.000 0.311 107 F C -0.470 175.314 175.800 -0.028 0.000 1.141 107 F CA -1.428 56.557 58.000 -0.025 0.000 0.939 107 F CB 0.947 39.931 39.000 -0.026 0.000 1.325 107 F HN -0.329 nan 8.300 nan 0.000 0.453 108 E N 1.626 121.956 120.200 0.217 0.000 2.197 108 E HA 0.611 4.961 4.350 0.000 0.000 0.281 108 E C -1.017 175.682 176.600 0.164 0.000 0.995 108 E CA -0.905 55.566 56.400 0.118 0.000 0.808 108 E CB 1.882 31.619 29.700 0.063 0.000 1.093 108 E HN 0.696 nan 8.360 nan 0.000 0.394 109 V N 0.439 120.421 119.914 0.115 0.000 3.046 109 V HA 0.618 4.738 4.120 0.000 0.000 0.316 109 V C -0.555 175.574 176.094 0.057 0.000 1.104 109 V CA -0.839 61.522 62.300 0.101 0.000 1.006 109 V CB 1.968 33.859 31.823 0.114 0.000 1.058 109 V HN 0.693 nan 8.190 nan 0.000 0.440 110 E N 1.560 121.798 120.200 0.064 0.000 2.234 110 E HA 0.636 4.986 4.350 0.000 0.000 0.266 110 E C -1.526 175.145 176.600 0.119 0.000 0.877 110 E CA -0.814 55.633 56.400 0.079 0.000 0.758 110 E CB 2.137 31.882 29.700 0.076 0.000 1.170 110 E HN 0.789 nan 8.360 nan 0.000 0.415 111 M N 4.485 124.153 119.600 0.112 0.000 2.321 111 M HA 0.465 4.945 4.480 0.000 0.000 0.315 111 M C -1.029 175.382 176.300 0.184 0.000 1.052 111 M CA -0.890 54.464 55.300 0.090 0.000 0.936 111 M CB 1.162 33.764 32.600 0.002 0.000 1.639 111 M HN 0.398 nan 8.290 nan 0.000 0.433 112 F N 0.346 120.282 119.950 -0.023 0.000 2.645 112 F HA 1.019 5.546 4.527 0.000 0.000 0.310 112 F C -0.554 175.238 175.800 -0.014 0.000 1.102 112 F CA -0.732 57.258 58.000 -0.016 0.000 0.952 112 F CB 1.184 40.176 39.000 -0.013 0.000 1.326 112 F HN 0.573 nan 8.300 nan 0.000 0.456 113 G N 0.418 109.238 108.800 0.034 0.000 3.166 113 G HA2 0.517 4.477 3.960 0.000 0.000 0.267 113 G HA3 0.517 4.477 3.960 0.000 0.000 0.267 113 G C -1.608 173.342 174.900 0.083 0.000 1.256 113 G CA -0.348 44.718 45.100 -0.056 0.000 0.859 113 G HN 0.870 nan 8.290 nan 0.000 0.590 114 D N -0.846 119.578 120.400 0.040 0.000 2.430 114 D HA 0.245 4.885 4.640 0.000 0.000 0.285 114 D C 0.468 176.802 176.300 0.056 0.000 1.210 114 D CA -0.344 53.693 54.000 0.060 0.000 1.080 114 D CB 0.303 41.126 40.800 0.037 0.000 1.134 114 D HN 0.134 nan 8.370 nan 0.000 0.562 115 D N -0.986 119.441 120.400 0.045 0.000 2.149 115 D HA -0.127 4.513 4.640 0.000 0.000 0.201 115 D C 1.844 178.163 176.300 0.030 0.000 0.972 115 D CA 1.121 55.143 54.000 0.037 0.000 0.835 115 D CB -0.283 40.536 40.800 0.031 0.000 0.966 115 D HN 0.295 nan 8.370 nan 0.000 0.476 116 S N -0.262 115.454 115.700 0.027 0.000 2.406 116 S HA 0.007 4.477 4.470 0.000 0.000 0.228 116 S C 1.926 176.539 174.600 0.021 0.000 1.020 116 S CA 0.270 58.485 58.200 0.024 0.000 0.965 116 S CB -0.058 63.157 63.200 0.024 0.000 0.798 116 S HN 0.173 nan 8.310 nan 0.000 0.488 117 L N 0.799 122.034 121.223 0.020 0.000 2.179 117 L HA 0.022 4.362 4.340 0.000 0.000 0.208 117 L C 2.245 179.127 176.870 0.020 0.000 1.096 117 L CA 1.075 55.923 54.840 0.014 0.000 0.779 117 L CB -0.475 41.585 42.059 0.001 0.000 0.922 117 L HN 0.342 nan 8.230 nan 0.000 0.443 118 S N -0.460 115.259 115.700 0.031 0.000 2.453 118 S HA -0.107 4.363 4.470 0.000 0.000 0.231 118 S C 1.743 176.358 174.600 0.025 0.000 1.005 118 S CA 0.798 59.019 58.200 0.034 0.000 0.949 118 S CB 0.032 63.259 63.200 0.045 0.000 0.774 118 S HN 0.365 nan 8.310 nan 0.000 0.510 119 K N 0.684 121.097 120.400 0.021 0.000 2.296 119 K HA 0.100 4.420 4.320 0.000 0.000 0.200 119 K C 0.505 177.114 176.600 0.015 0.000 1.048 119 K CA 0.380 56.677 56.287 0.018 0.000 0.966 119 K CB 0.168 32.678 32.500 0.017 0.000 0.754 119 K HN 0.197 nan 8.250 nan 0.000 0.466 120 R N 2.303 122.812 120.500 0.015 0.000 2.340 120 R HA 0.141 4.481 4.340 0.000 0.000 0.300 120 R C -2.412 173.895 176.300 0.011 0.000 1.069 120 R CA -1.705 54.403 56.100 0.013 0.000 0.984 120 R CB 0.413 30.720 30.300 0.012 0.000 1.003 120 R HN 0.018 nan 8.270 nan 0.000 0.459 121 P HA 0.070 nan 4.420 nan 0.000 0.271 121 P C -0.053 177.250 177.300 0.006 0.000 1.218 121 P CA -0.009 63.096 63.100 0.009 0.000 0.780 121 P CB 0.861 32.567 31.700 0.011 0.000 0.901 122 M N 0.945 120.547 119.600 0.002 0.000 2.340 122 M HA 0.029 4.509 4.480 0.000 0.000 0.345 122 M C 0.882 177.177 176.300 -0.008 0.000 1.008 122 M CA 0.173 55.471 55.300 -0.004 0.000 0.987 122 M CB -0.277 32.319 32.600 -0.007 0.000 1.598 122 M HN 0.330 nan 8.290 nan 0.000 0.569 123 D N 0.894 121.292 120.400 -0.003 0.000 2.264 123 D HA -0.151 4.489 4.640 0.000 0.000 0.208 123 D C 1.586 177.882 176.300 -0.006 0.000 0.966 123 D CA 0.850 54.847 54.000 -0.005 0.000 0.864 123 D CB -0.264 40.538 40.800 0.003 0.000 0.933 123 D HN 0.306 nan 8.370 nan 0.000 0.499 124 R N 0.330 120.832 120.500 0.003 0.000 2.148 124 R HA 0.028 4.368 4.340 0.000 0.000 0.227 124 R C 2.109 178.397 176.300 -0.021 0.000 1.103 124 R CA 0.485 56.593 56.100 0.015 0.000 0.983 124 R CB -0.481 29.837 30.300 0.030 0.000 0.874 124 R HN 0.222 nan 8.270 nan 0.000 0.451 125 V N 1.401 121.292 119.914 -0.038 0.000 3.263 125 V HA -0.092 4.028 4.120 0.000 0.000 0.248 125 V C 2.114 178.151 176.094 -0.096 0.000 1.145 125 V CA 1.612 63.872 62.300 -0.067 0.000 1.107 125 V CB 0.341 32.142 31.823 -0.037 0.000 0.797 125 V HN 0.432 nan 8.190 nan 0.000 0.467 126 T N -1.356 113.154 114.554 -0.074 0.000 2.942 126 T HA -0.127 4.223 4.350 0.000 0.000 0.265 126 T C 1.847 176.490 174.700 -0.095 0.000 1.062 126 T CA 1.537 63.593 62.100 -0.073 0.000 1.139 126 T CB -0.335 68.505 68.868 -0.046 0.000 0.883 126 T HN 0.343 nan 8.240 nan 0.000 0.468 127 L N 3.120 124.280 121.223 -0.104 0.000 1.994 127 L HA 0.087 4.427 4.340 0.000 0.000 0.208 127 L C -0.585 176.163 176.870 -0.204 0.000 1.071 127 L CA 1.783 56.557 54.840 -0.110 0.000 0.745 127 L CB -1.140 40.886 42.059 -0.055 0.000 0.892 127 L HN 0.131 nan 8.230 nan 0.000 0.431 128 P HA -0.135 nan 4.420 nan 0.000 0.222 128 P C 1.977 179.106 177.300 -0.285 0.000 1.153 128 P CA 0.981 63.737 63.100 -0.574 0.000 0.798 128 P CB -0.076 30.949 31.700 -1.125 0.000 0.796 129 L N 0.129 121.227 121.223 -0.209 0.000 2.217 129 L HA 0.003 4.343 4.340 0.000 0.000 0.211 129 L C 2.226 179.038 176.870 -0.097 0.000 1.107 129 L CA 1.645 56.407 54.840 -0.130 0.000 0.783 129 L CB -1.210 40.787 42.059 -0.104 0.000 0.919 129 L HN -0.003 nan 8.230 nan 0.000 0.442 130 K N -0.406 119.939 120.400 -0.092 0.000 2.217 130 K HA -0.144 4.177 4.320 0.000 0.000 0.202 130 K C 1.920 178.490 176.600 -0.050 0.000 1.051 130 K CA 0.784 57.034 56.287 -0.063 0.000 0.952 130 K CB 0.170 32.639 32.500 -0.052 0.000 0.736 130 K HN 0.249 nan 8.250 nan 0.000 0.453 131 K N 0.183 120.549 120.400 -0.057 0.000 2.211 131 K HA -0.020 4.300 4.320 0.000 0.000 0.203 131 K C 1.889 178.474 176.600 -0.025 0.000 1.050 131 K CA 1.052 57.322 56.287 -0.028 0.000 0.945 131 K CB 0.065 32.556 32.500 -0.015 0.000 0.732 131 K HN 0.121 nan 8.250 nan 0.000 0.451 132 M N -0.983 118.589 119.600 -0.045 0.000 2.349 132 M HA 0.014 4.494 4.480 0.000 0.000 0.266 132 M C 0.817 177.095 176.300 -0.036 0.000 1.076 132 M CA 1.171 56.446 55.300 -0.042 0.000 1.126 132 M CB 0.536 33.102 32.600 -0.058 0.000 1.392 132 M HN 0.388 nan 8.290 nan 0.000 0.440 133 G N 0.727 109.503 108.800 -0.039 0.000 2.189 133 G HA2 -0.072 3.888 3.960 0.000 0.000 0.113 133 G HA3 -0.072 3.888 3.960 0.000 0.000 0.113 133 G C -0.486 174.386 174.900 -0.047 0.000 1.038 133 G CA -0.711 44.367 45.100 -0.036 0.000 0.704 133 G HN 0.219 nan 8.290 nan 0.000 0.490 134 V N 0.749 120.631 119.914 -0.053 0.000 2.435 134 V HA 0.679 4.799 4.120 0.000 0.000 0.290 134 V C 0.579 176.642 176.094 -0.053 0.000 1.030 134 V CA -0.548 61.715 62.300 -0.062 0.000 0.881 134 V CB 1.890 33.670 31.823 -0.071 0.000 0.983 134 V HN 0.333 nan 8.190 nan 0.000 0.445 135 S N 5.831 121.500 115.700 -0.051 0.000 2.473 135 S HA 0.615 5.085 4.470 0.000 0.000 0.312 135 S C -0.348 174.229 174.600 -0.039 0.000 1.087 135 S CA -0.228 57.948 58.200 -0.040 0.000 1.077 135 S CB -0.404 62.776 63.200 -0.034 0.000 1.065 135 S HN 0.522 nan 8.310 nan 0.000 0.510 136 I N 1.740 122.288 120.570 -0.037 0.000 2.465 136 I HA 0.617 4.787 4.170 0.000 0.000 0.291 136 I C 0.071 176.173 176.117 -0.024 0.000 1.014 136 I CA -0.370 60.910 61.300 -0.033 0.000 1.093 136 I CB 2.090 40.066 38.000 -0.040 0.000 1.267 136 I HN 0.403 nan 8.210 nan 0.000 0.431 137 S N 2.782 118.472 115.700 -0.017 0.000 2.572 137 S HA 0.835 5.305 4.470 0.000 0.000 0.274 137 S C -0.184 174.412 174.600 -0.006 0.000 1.150 137 S CA -0.331 57.862 58.200 -0.011 0.000 0.944 137 S CB 1.329 64.523 63.200 -0.010 0.000 1.071 137 S HN 0.891 nan 8.310 nan 0.000 0.479 138 G N 2.234 111.032 108.800 -0.004 0.000 3.134 138 G HA2 0.372 4.332 3.960 0.000 0.000 0.158 138 G HA3 0.372 4.332 3.960 0.000 0.000 0.158 138 G C 0.132 175.033 174.900 0.003 0.000 1.334 138 G CA 0.104 45.205 45.100 0.002 0.000 1.001 138 G HN 0.577 nan 8.290 nan 0.000 0.600 139 Q N -0.412 119.390 119.800 0.005 0.000 2.178 139 Q HA 0.164 4.504 4.340 0.000 0.000 0.197 139 Q C 2.053 178.054 176.000 0.002 0.000 0.998 139 Q CA 1.236 57.041 55.803 0.004 0.000 0.845 139 Q CB -1.141 27.601 28.738 0.007 0.000 0.943 139 Q HN 0.650 nan 8.270 nan 0.000 0.514 140 T N -1.184 113.372 114.554 0.003 0.000 3.018 140 T HA 0.173 4.523 4.350 0.000 0.000 0.338 140 T C 1.145 175.846 174.700 0.002 0.000 1.208 140 T CA -0.270 61.832 62.100 0.003 0.000 0.963 140 T CB 0.273 69.143 68.868 0.004 0.000 1.697 140 T HN 0.119 nan 8.240 nan 0.000 0.560 141 E N -0.160 120.041 120.200 0.003 0.000 2.274 141 E HA -0.005 4.345 4.350 0.000 0.000 0.194 141 E C 2.171 178.774 176.600 0.004 0.000 0.996 141 E CA 0.274 56.675 56.400 0.003 0.000 0.840 141 E CB 0.087 29.789 29.700 0.004 0.000 0.772 141 E HN 0.297 nan 8.360 nan 0.000 0.491 142 R N 0.827 121.329 120.500 0.005 0.000 2.310 142 R HA 0.001 4.341 4.340 0.000 0.000 0.202 142 R C -0.363 175.939 176.300 0.004 0.000 0.933 142 R CA 0.214 56.317 56.100 0.006 0.000 1.054 142 R CB -0.036 30.269 30.300 0.007 0.000 0.985 142 R HN 0.084 nan 8.270 nan 0.000 0.489 143 D N 1.372 121.773 120.400 0.002 0.000 2.746 143 D HA -0.171 4.469 4.640 0.000 0.000 0.241 143 D C -0.399 175.903 176.300 0.003 0.000 1.140 143 D CA 0.711 54.711 54.000 0.000 0.000 0.707 143 D CB -1.099 39.698 40.800 -0.005 0.000 1.034 143 D HN 0.216 nan 8.370 nan 0.000 0.423 144 L N 0.096 121.324 121.223 0.007 0.000 2.439 144 L HA 0.253 4.593 4.340 0.000 0.000 0.269 144 L C -1.624 175.256 176.870 0.017 0.000 1.179 144 L CA -1.483 53.364 54.840 0.012 0.000 0.828 144 L CB 0.076 42.143 42.059 0.013 0.000 1.106 144 L HN -0.151 nan 8.230 nan 0.000 0.467 145 P HA 0.059 nan 4.420 nan 0.000 0.267 145 P C -2.409 174.919 177.300 0.048 0.000 1.200 145 P CA -0.757 62.367 63.100 0.041 0.000 0.772 145 P CB -0.122 31.607 31.700 0.047 0.000 0.855 146 P HA 0.254 nan 4.420 nan 0.000 0.276 146 P C -0.995 176.333 177.300 0.047 0.000 1.252 146 P CA 0.023 63.172 63.100 0.081 0.000 0.802 146 P CB 0.718 32.468 31.700 0.085 0.000 1.035 147 L N 0.994 122.246 121.223 0.049 0.000 2.341 147 L HA 0.615 4.955 4.340 0.000 0.000 0.267 147 L C 0.658 177.542 176.870 0.023 0.000 1.009 147 L CA -0.907 53.947 54.840 0.023 0.000 0.819 147 L CB 1.772 43.836 42.059 0.009 0.000 1.323 147 L HN 0.254 nan 8.230 nan 0.000 0.425 148 R N 2.247 122.752 120.500 0.008 0.000 2.494 148 R HA 0.778 5.118 4.340 0.000 0.000 0.305 148 R C -1.417 174.878 176.300 -0.008 0.000 0.959 148 R CA -0.742 55.361 56.100 0.006 0.000 0.864 148 R CB 2.255 32.557 30.300 0.003 0.000 1.159 148 R HN 0.450 nan 8.270 nan 0.000 0.446 149 L N 2.145 123.362 121.223 -0.011 0.000 2.408 149 L HA 0.536 4.876 4.340 0.000 0.000 0.268 149 L C -1.384 175.458 176.870 -0.046 0.000 0.986 149 L CA -0.673 54.146 54.840 -0.035 0.000 0.820 149 L CB 2.053 44.083 42.059 -0.048 0.000 1.303 149 L HN 0.676 nan 8.230 nan 0.000 0.411 150 K N 3.015 123.374 120.400 -0.069 0.000 2.581 150 K HA 0.719 5.039 4.320 0.000 0.000 0.249 150 K C -0.835 175.696 176.600 -0.116 0.000 0.966 150 K CA -0.309 55.921 56.287 -0.094 0.000 0.811 150 K CB 1.816 34.284 32.500 -0.053 0.000 1.223 150 K HN 0.628 nan 8.250 nan 0.000 0.438 151 G N 1.030 109.725 108.800 -0.176 0.000 2.552 151 G HA2 0.596 4.556 3.960 0.000 0.000 0.318 151 G HA3 0.596 4.556 3.960 0.000 0.000 0.318 151 G C -0.882 173.939 174.900 -0.132 0.000 1.240 151 G CA -0.677 44.329 45.100 -0.156 0.000 1.002 151 G HN 0.653 nan 8.290 nan 0.000 0.493 152 T N -2.350 112.142 114.554 -0.103 0.000 2.908 152 T HA 0.396 4.746 4.350 0.000 0.000 0.290 152 T C 1.010 175.669 174.700 -0.069 0.000 1.034 152 T CA -0.778 61.278 62.100 -0.075 0.000 1.010 152 T CB 2.212 71.049 68.868 -0.051 0.000 1.068 152 T HN 0.640 nan 8.240 nan 0.000 0.481 153 K N 1.515 121.884 120.400 -0.051 0.000 2.211 153 K HA -0.062 4.258 4.320 0.000 0.000 0.203 153 K C 0.434 177.019 176.600 -0.026 0.000 1.050 153 K CA 0.705 56.970 56.287 -0.036 0.000 0.945 153 K CB -0.296 32.191 32.500 -0.021 0.000 0.732 153 K HN 0.699 nan 8.250 nan 0.000 0.451 154 N N 1.940 120.626 118.700 -0.024 0.000 2.817 154 N HA 0.158 4.898 4.740 0.000 0.000 0.234 154 N C -1.217 174.280 175.510 -0.021 0.000 1.066 154 N CA -0.517 52.523 53.050 -0.017 0.000 0.926 154 N CB 1.025 39.506 38.487 -0.011 0.000 1.176 154 N HN -0.008 nan 8.380 nan 0.000 0.506 155 L N 1.856 123.065 121.223 -0.024 0.000 2.326 155 L HA 0.335 4.675 4.340 0.000 0.000 0.278 155 L C 0.232 177.089 176.870 -0.021 0.000 1.092 155 L CA -0.291 54.532 54.840 -0.029 0.000 0.810 155 L CB 0.712 42.750 42.059 -0.036 0.000 1.153 155 L HN 0.312 nan 8.230 nan 0.000 0.439 156 R N 4.808 125.294 120.500 -0.022 0.000 2.404 156 R HA 0.434 4.774 4.340 0.000 0.000 0.291 156 R C -2.345 173.934 176.300 -0.034 0.000 1.025 156 R CA -1.890 54.202 56.100 -0.015 0.000 0.991 156 R CB 0.736 31.035 30.300 -0.002 0.000 1.053 156 R HN 0.448 nan 8.270 nan 0.000 0.479 157 P HA 0.084 nan 4.420 nan 0.000 0.270 157 P C -0.384 176.805 177.300 -0.186 0.000 1.223 157 P CA -0.290 62.742 63.100 -0.114 0.000 0.785 157 P CB 0.471 32.100 31.700 -0.119 0.000 0.923 158 I N 2.168 122.583 120.570 -0.260 0.000 2.354 158 I HA 0.265 4.436 4.170 0.000 0.000 0.292 158 I C -0.638 175.266 176.117 -0.355 0.000 0.989 158 I CA -0.342 60.831 61.300 -0.211 0.000 1.188 158 I CB 0.362 38.302 38.000 -0.100 0.000 1.342 158 I HN 0.300 nan 8.210 nan 0.000 0.457 159 H N 7.887 127.000 119.070 0.073 0.000 2.697 159 H HA 0.277 4.833 4.556 0.000 0.000 0.270 159 H C -1.656 173.756 175.328 0.141 0.000 1.188 159 H CA -0.264 55.830 56.048 0.077 0.000 1.322 159 H CB 0.602 30.391 29.762 0.044 0.000 1.405 159 H HN 0.615 nan 8.280 nan 0.000 0.502 160 Y N 1.231 121.562 120.300 0.052 0.000 2.477 160 Y HA 0.243 4.793 4.550 0.000 0.000 0.347 160 Y C -0.570 175.336 175.900 0.009 0.000 0.981 160 Y CA -0.715 57.399 58.100 0.024 0.000 1.033 160 Y CB 1.927 40.387 38.460 -0.000 0.000 1.245 160 Y HN 0.339 nan 8.280 nan 0.000 0.455 161 E N 5.428 125.263 120.200 -0.608 0.000 2.133 161 E HA 0.237 4.587 4.350 0.000 0.000 0.274 161 E C -1.470 174.719 176.600 -0.685 0.000 0.930 161 E CA -0.785 55.337 56.400 -0.464 0.000 0.770 161 E CB 1.426 30.944 29.700 -0.302 0.000 1.104 161 E HN 0.688 nan 8.360 nan 0.000 0.403 162 L N 7.021 128.076 121.223 -0.280 0.000 2.410 162 L HA 0.078 4.418 4.340 0.000 0.000 0.273 162 L C -1.238 175.572 176.870 -0.099 0.000 1.144 162 L CA -0.699 54.090 54.840 -0.086 0.000 0.863 162 L CB 0.536 42.617 42.059 0.038 0.000 1.140 162 L HN 0.430 nan 8.230 nan 0.000 0.463 163 P HA -0.026 nan 4.420 nan 0.000 0.222 163 P C -0.138 177.158 177.300 -0.008 0.000 1.153 163 P CA 0.920 64.001 63.100 -0.032 0.000 0.798 163 P CB 0.130 31.836 31.700 0.010 0.000 0.796 164 I N -4.866 115.713 120.570 0.015 0.000 2.828 164 I HA 0.711 4.881 4.170 0.000 0.000 0.302 164 I C -0.375 175.750 176.117 0.013 0.000 1.101 164 I CA -1.916 59.392 61.300 0.014 0.000 1.031 164 I CB 1.939 39.954 38.000 0.025 0.000 1.231 164 I HN -0.321 nan 8.210 nan 0.000 0.427 165 A N 3.212 126.037 122.820 0.008 0.000 2.797 165 A HA 0.516 4.836 4.320 0.000 0.000 0.296 165 A C 0.225 177.821 177.584 0.021 0.000 1.580 165 A CA 0.101 52.143 52.037 0.008 0.000 1.277 165 A CB -0.805 18.201 19.000 0.009 0.000 1.101 165 A HN 0.691 nan 8.150 nan 0.000 0.562 166 S N 1.459 117.174 115.700 0.025 0.000 2.561 166 S HA 0.569 5.039 4.470 0.000 0.000 0.303 166 S C 0.907 175.527 174.600 0.034 0.000 1.110 166 S CA 0.057 58.277 58.200 0.033 0.000 1.034 166 S CB 1.382 64.604 63.200 0.037 0.000 1.010 166 S HN 1.098 nan 8.310 nan 0.000 0.482 167 A N 4.017 126.861 122.820 0.041 0.000 2.016 167 A HA 0.031 4.351 4.320 0.000 0.000 0.217 167 A C 1.854 179.470 177.584 0.054 0.000 1.162 167 A CA 0.928 52.993 52.037 0.046 0.000 0.662 167 A CB -0.388 18.650 19.000 0.064 0.000 0.812 167 A HN 0.871 nan 8.150 nan 0.000 0.450 168 Q N -0.499 119.334 119.800 0.054 0.000 2.049 168 Q HA -0.078 4.262 4.340 0.000 0.000 0.198 168 Q C 2.080 178.107 176.000 0.044 0.000 0.971 168 Q CA 1.623 57.458 55.803 0.055 0.000 0.833 168 Q CB -0.256 28.506 28.738 0.041 0.000 0.896 168 Q HN 0.466 nan 8.270 nan 0.000 0.434 169 V N 1.687 121.622 119.914 0.034 0.000 2.427 169 V HA -0.240 3.880 4.120 0.000 0.000 0.248 169 V C 2.302 178.409 176.094 0.022 0.000 1.051 169 V CA 1.678 63.993 62.300 0.025 0.000 1.048 169 V CB -0.607 31.236 31.823 0.033 0.000 0.666 169 V HN 0.335 nan 8.190 nan 0.000 0.456 170 K N 0.413 120.829 120.400 0.026 0.000 2.057 170 K HA -0.162 4.158 4.320 0.000 0.000 0.207 170 K C 2.172 178.757 176.600 -0.026 0.000 1.049 170 K CA 2.009 58.303 56.287 0.011 0.000 0.931 170 K CB -0.159 32.346 32.500 0.009 0.000 0.714 170 K HN 0.475 nan 8.250 nan 0.000 0.440 171 S N 0.514 116.201 115.700 -0.022 0.000 2.436 171 S HA 0.017 4.487 4.470 0.000 0.000 0.228 171 S C 1.947 176.485 174.600 -0.103 0.000 1.014 171 S CA 0.770 58.913 58.200 -0.096 0.000 0.950 171 S CB 0.052 63.247 63.200 -0.008 0.000 0.784 171 S HN 0.494 nan 8.310 nan 0.000 0.504 172 A N 1.523 124.366 122.820 0.039 0.000 1.930 172 A HA 0.061 4.381 4.320 0.000 0.000 0.217 172 A C 1.988 179.603 177.584 0.052 0.000 1.175 172 A CA 1.006 53.114 52.037 0.117 0.000 0.627 172 A CB -0.595 18.445 19.000 0.066 0.000 0.815 172 A HN 0.452 nan 8.150 nan 0.000 0.443 173 L N -1.379 119.833 121.223 -0.018 0.000 2.291 173 L HA -0.057 4.283 4.340 0.000 0.000 0.214 173 L C 2.710 179.543 176.870 -0.061 0.000 1.120 173 L CA 0.800 55.616 54.840 -0.040 0.000 0.799 173 L CB -0.306 41.727 42.059 -0.043 0.000 0.925 173 L HN 0.428 nan 8.230 nan 0.000 0.446 174 M N -1.132 118.390 119.600 -0.130 0.000 2.132 174 M HA -0.174 4.306 4.480 0.000 0.000 0.263 174 M C 2.120 178.304 176.300 -0.193 0.000 1.065 174 M CA 1.961 57.141 55.300 -0.201 0.000 1.122 174 M CB -0.109 32.295 32.600 -0.325 0.000 1.365 174 M HN 0.134 nan 8.290 nan 0.000 0.411 175 F N -0.421 119.491 119.950 -0.062 0.000 2.234 175 F HA -0.156 4.371 4.527 0.000 0.000 0.299 175 F C 2.470 178.221 175.800 -0.082 0.000 1.087 175 F CA 0.862 58.798 58.000 -0.108 0.000 1.340 175 F CB -0.422 38.495 39.000 -0.138 0.000 1.031 175 F HN 0.179 nan 8.300 nan 0.000 0.500 176 A N -0.085 122.794 122.820 0.098 0.000 1.968 176 A HA 0.060 4.380 4.320 0.000 0.000 0.217 176 A C 2.279 179.863 177.584 -0.001 0.000 1.169 176 A CA 1.208 53.260 52.037 0.026 0.000 0.638 176 A CB -0.962 18.034 19.000 -0.006 0.000 0.812 176 A HN 0.276 nan 8.150 nan 0.000 0.446 177 A N -0.315 122.496 122.820 -0.014 0.000 2.067 177 A HA 0.099 4.419 4.320 0.000 0.000 0.219 177 A C 1.940 179.522 177.584 -0.004 0.000 1.158 177 A CA 1.110 53.131 52.037 -0.027 0.000 0.661 177 A CB -0.488 18.485 19.000 -0.045 0.000 0.801 177 A HN 0.455 nan 8.150 nan 0.000 0.452 178 L N -1.310 119.924 121.223 0.018 0.000 2.395 178 L HA -0.104 4.236 4.340 0.000 0.000 0.218 178 L C 2.521 179.412 176.870 0.036 0.000 1.130 178 L CA 0.869 55.733 54.840 0.041 0.000 0.826 178 L CB -0.207 41.893 42.059 0.068 0.000 0.941 178 L HN 0.437 nan 8.230 nan 0.000 0.451 179 Q N -0.313 119.500 119.800 0.021 0.000 2.349 179 Q HA 0.235 4.575 4.340 0.000 0.000 0.209 179 Q C 0.973 176.973 176.000 0.000 0.000 0.920 179 Q CA 0.193 56.002 55.803 0.010 0.000 0.901 179 Q CB 0.355 29.092 28.738 -0.002 0.000 1.021 179 Q HN 0.444 nan 8.270 nan 0.000 0.519 180 A N 1.400 124.215 122.820 -0.008 0.000 2.445 180 A HA 0.174 4.494 4.320 0.000 0.000 0.242 180 A C -0.346 177.235 177.584 -0.005 0.000 1.075 180 A CA 0.011 52.040 52.037 -0.014 0.000 0.777 180 A CB 0.287 19.270 19.000 -0.028 0.000 1.013 180 A HN 0.025 nan 8.150 nan 0.000 0.493 181 K N 1.003 121.401 120.400 -0.003 0.000 2.263 181 K HA 0.527 4.847 4.320 0.000 0.000 0.282 181 K C 0.440 177.045 176.600 0.008 0.000 1.089 181 K CA 1.071 57.361 56.287 0.005 0.000 0.907 181 K CB 0.309 32.813 32.500 0.007 0.000 1.148 181 K HN 1.377 nan 8.250 nan 0.000 0.470 182 G N 2.324 111.130 108.800 0.011 0.000 2.278 182 G HA2 -0.105 3.855 3.960 0.000 0.000 0.265 182 G HA3 -0.105 3.855 3.960 0.000 0.000 0.265 182 G C -1.603 173.306 174.900 0.014 0.000 1.329 182 G CA -0.925 44.186 45.100 0.019 0.000 1.017 182 G HN 0.510 nan 8.290 nan 0.000 0.472 183 E N 0.058 120.276 120.200 0.030 0.000 2.133 183 E HA 0.626 4.976 4.350 0.000 0.000 0.274 183 E C -0.599 175.974 176.600 -0.045 0.000 0.930 183 E CA -0.481 55.936 56.400 0.028 0.000 0.770 183 E CB 1.021 30.766 29.700 0.076 0.000 1.104 183 E HN 0.458 nan 8.360 nan 0.000 0.403 184 S N 2.861 118.505 115.700 -0.092 0.000 2.454 184 S HA 0.426 4.896 4.470 0.000 0.000 0.306 184 S C -0.764 173.770 174.600 -0.110 0.000 1.100 184 S CA -0.789 57.281 58.200 -0.216 0.000 1.087 184 S CB 1.700 64.807 63.200 -0.155 0.000 1.019 184 S HN 0.358 nan 8.310 nan 0.000 0.480 185 V N 4.374 124.220 119.914 -0.113 0.000 2.378 185 V HA 0.465 4.585 4.120 0.000 0.000 0.288 185 V C -0.685 175.427 176.094 0.029 0.000 1.016 185 V CA -0.513 61.807 62.300 0.033 0.000 0.840 185 V CB 0.860 32.781 31.823 0.163 0.000 0.994 185 V HN 0.788 nan 8.190 nan 0.000 0.431 186 I N 6.336 126.916 120.570 0.016 0.000 2.362 186 I HA 0.516 4.686 4.170 0.000 0.000 0.289 186 I C -0.547 175.573 176.117 0.005 0.000 0.994 186 I CA -0.169 61.148 61.300 0.028 0.000 1.158 186 I CB 1.639 39.648 38.000 0.015 0.000 1.315 186 I HN 0.424 nan 8.210 nan 0.000 0.451 187 I N 6.234 126.801 120.570 -0.005 0.000 2.362 187 I HA 0.303 4.473 4.170 0.000 0.000 0.289 187 I C -0.107 175.969 176.117 -0.068 0.000 0.994 187 I CA -0.515 60.755 61.300 -0.050 0.000 1.158 187 I CB 1.258 39.221 38.000 -0.062 0.000 1.315 187 I HN 0.569 nan 8.210 nan 0.000 0.451 188 E N 5.535 125.679 120.200 -0.094 0.000 2.318 188 E HA 0.266 4.616 4.350 0.000 0.000 0.265 188 E C 0.455 176.980 176.600 -0.125 0.000 1.069 188 E CA -0.875 55.467 56.400 -0.097 0.000 0.893 188 E CB 1.544 31.178 29.700 -0.109 0.000 1.076 188 E HN 0.388 nan 8.360 nan 0.000 0.414 189 K N 0.566 120.910 120.400 -0.093 0.000 2.001 189 K HA -0.051 4.269 4.320 0.000 0.000 0.208 189 K C 0.140 176.679 176.600 -0.103 0.000 1.048 189 K CA 1.373 57.608 56.287 -0.087 0.000 0.932 189 K CB 0.266 32.734 32.500 -0.053 0.000 0.715 189 K HN 0.529 nan 8.250 nan 0.000 0.437 190 E N -1.032 119.112 120.200 -0.093 0.000 2.423 190 E HA 0.163 4.513 4.350 0.000 0.000 0.269 190 E C -1.033 175.500 176.600 -0.112 0.000 0.948 190 E CA -0.872 55.479 56.400 -0.082 0.000 0.802 190 E CB 0.510 30.212 29.700 0.003 0.000 1.339 190 E HN 0.012 nan 8.360 nan 0.000 0.445 191 Y N 1.358 121.651 120.300 -0.011 0.000 2.637 191 Y HA 0.056 4.606 4.550 0.000 0.000 0.350 191 Y C 1.211 177.100 175.900 -0.019 0.000 1.069 191 Y CA 0.307 58.398 58.100 -0.016 0.000 1.397 191 Y CB 0.105 38.554 38.460 -0.018 0.000 1.163 191 Y HN 0.300 nan 8.280 nan 0.000 0.527 192 T N 0.776 115.387 114.554 0.094 0.000 2.844 192 T HA 0.521 4.871 4.350 0.000 0.000 0.274 192 T C 0.019 174.731 174.700 0.020 0.000 0.991 192 T CA -1.348 60.782 62.100 0.049 0.000 0.983 192 T CB 0.801 69.683 68.868 0.024 0.000 1.310 192 T HN 0.435 nan 8.240 nan 0.000 0.596 193 R N 2.451 122.943 120.500 -0.013 0.000 2.522 193 R HA 0.158 4.498 4.340 0.000 0.000 0.284 193 R C 0.560 176.782 176.300 -0.131 0.000 1.032 193 R CA -0.095 55.937 56.100 -0.114 0.000 1.049 193 R CB 0.062 30.332 30.300 -0.051 0.000 0.956 193 R HN 0.722 nan 8.270 nan 0.000 0.422 194 N N 2.634 121.192 118.700 -0.236 0.000 2.535 194 N HA -0.004 4.736 4.740 0.000 0.000 0.294 194 N C -0.109 175.334 175.510 -0.112 0.000 1.408 194 N CA -0.167 52.809 53.050 -0.124 0.000 0.927 194 N CB 0.190 38.642 38.487 -0.059 0.000 1.276 194 N HN 0.619 nan 8.380 nan 0.000 0.505 195 H N -0.187 118.911 119.070 0.048 0.000 2.462 195 H HA 0.026 4.582 4.556 0.000 0.000 0.292 195 H C 1.236 176.595 175.328 0.052 0.000 1.049 195 H CA 1.828 57.907 56.048 0.051 0.000 1.334 195 H CB 0.467 30.276 29.762 0.078 0.000 1.404 195 H HN 0.251 nan 8.280 nan 0.000 0.544 196 T N 0.273 114.929 114.554 0.171 0.000 2.904 196 T HA -0.100 4.250 4.350 0.000 0.000 0.267 196 T C 1.628 176.364 174.700 0.060 0.000 1.059 196 T CA 1.186 63.378 62.100 0.154 0.000 1.137 196 T CB -0.029 68.851 68.868 0.019 0.000 0.879 196 T HN 0.386 nan 8.240 nan 0.000 0.467 197 E N 1.032 121.243 120.200 0.019 0.000 2.152 197 E HA -0.076 4.274 4.350 0.000 0.000 0.192 197 E C 1.871 178.460 176.600 -0.019 0.000 0.983 197 E CA 0.856 57.255 56.400 -0.001 0.000 0.818 197 E CB -0.046 29.653 29.700 -0.002 0.000 0.758 197 E HN 0.360 nan 8.360 nan 0.000 0.467 198 D N -0.244 120.148 120.400 -0.013 0.000 2.137 198 D HA -0.074 4.566 4.640 0.000 0.000 0.202 198 D C 1.746 177.998 176.300 -0.079 0.000 0.970 198 D CA 0.792 54.781 54.000 -0.020 0.000 0.837 198 D CB -0.082 40.736 40.800 0.029 0.000 0.981 198 D HN 0.122 nan 8.370 nan 0.000 0.475 199 M N 0.156 119.654 119.600 -0.170 0.000 2.319 199 M HA 0.002 4.482 4.480 0.000 0.000 0.265 199 M C 1.909 177.839 176.300 -0.616 0.000 1.068 199 M CA 0.568 55.629 55.300 -0.399 0.000 1.118 199 M CB 0.259 32.472 32.600 -0.644 0.000 1.395 199 M HN -0.030 nan 8.290 nan 0.000 0.435 200 L N -0.305 120.636 121.223 -0.469 0.000 2.046 200 L HA -0.264 4.076 4.340 0.000 0.000 0.208 200 L C 2.192 179.027 176.870 -0.058 0.000 1.077 200 L CA 1.661 56.406 54.840 -0.158 0.000 0.747 200 L CB -0.345 41.751 42.059 0.062 0.000 0.896 200 L HN 0.411 nan 8.230 nan 0.000 0.432 201 Q N -1.002 118.753 119.800 -0.076 0.000 2.224 201 Q HA -0.280 4.060 4.340 0.000 0.000 0.203 201 Q C 2.034 177.993 176.000 -0.069 0.000 0.970 201 Q CA 1.414 57.169 55.803 -0.079 0.000 0.865 201 Q CB 0.024 28.726 28.738 -0.059 0.000 0.922 201 Q HN 0.527 nan 8.270 nan 0.000 0.445 202 Q N -0.165 119.604 119.800 -0.052 0.000 2.119 202 Q HA -0.135 4.205 4.340 0.000 0.000 0.201 202 Q C 0.954 176.896 176.000 -0.097 0.000 0.972 202 Q CA 1.194 56.958 55.803 -0.065 0.000 0.847 202 Q CB 0.090 28.803 28.738 -0.043 0.000 0.903 202 Q HN 0.299 nan 8.270 nan 0.000 0.433 203 F N -0.742 119.122 119.950 -0.142 0.000 2.797 203 F HA 0.289 4.816 4.527 0.000 0.000 0.302 203 F C 1.251 177.036 175.800 -0.026 0.000 1.130 203 F CA 0.840 58.807 58.000 -0.055 0.000 1.387 203 F CB 0.978 39.984 39.000 0.009 0.000 1.107 203 F HN 0.289 nan 8.300 nan 0.000 0.577 204 G N 0.029 108.853 108.800 0.040 0.000 2.134 204 G HA2 -0.127 3.834 3.960 0.000 0.000 0.209 204 G HA3 -0.127 3.834 3.960 0.000 0.000 0.209 204 G C 0.527 175.344 174.900 -0.139 0.000 0.993 204 G CA -0.322 44.752 45.100 -0.044 0.000 0.669 204 G HN 0.705 nan 8.290 nan 0.000 0.519 205 G N -0.935 107.797 108.800 -0.114 0.000 2.502 205 G HA2 0.651 4.611 3.960 0.000 0.000 0.305 205 G HA3 0.651 4.611 3.960 0.000 0.000 0.305 205 G C -0.767 173.917 174.900 -0.359 0.000 1.190 205 G CA -0.640 44.396 45.100 -0.107 0.000 0.933 205 G HN 0.485 nan 8.290 nan 0.000 0.503 206 H N -1.178 117.930 119.070 0.064 0.000 2.589 206 H HA 0.599 5.155 4.556 0.000 0.000 0.351 206 H C -0.055 175.296 175.328 0.038 0.000 1.074 206 H CA -0.598 55.477 56.048 0.044 0.000 1.203 206 H CB 2.018 31.803 29.762 0.038 0.000 1.558 206 H HN 0.645 nan 8.280 nan 0.000 0.522 207 L N -0.215 121.086 121.223 0.129 0.000 2.479 207 L HA 0.890 5.230 4.340 0.000 0.000 0.255 207 L C -1.117 175.793 176.870 0.066 0.000 1.026 207 L CA -0.858 54.031 54.840 0.080 0.000 0.842 207 L CB 2.526 44.615 42.059 0.049 0.000 1.444 207 L HN 0.644 nan 8.230 nan 0.000 0.409 208 S N 0.884 116.614 115.700 0.050 0.000 2.557 208 S HA 0.779 5.249 4.470 0.000 0.000 0.291 208 S C -1.085 173.535 174.600 0.034 0.000 1.116 208 S CA -0.648 57.577 58.200 0.042 0.000 0.992 208 S CB 1.752 64.976 63.200 0.040 0.000 1.028 208 S HN 1.020 nan 8.310 nan 0.000 0.484 209 V N 2.395 122.329 119.914 0.034 0.000 2.540 209 V HA 0.476 4.596 4.120 0.000 0.000 0.302 209 V C 0.038 176.155 176.094 0.038 0.000 1.035 209 V CA -0.439 61.882 62.300 0.035 0.000 0.873 209 V CB 1.744 33.593 31.823 0.042 0.000 0.992 209 V HN 1.144 nan 8.190 nan 0.000 0.428 210 D N 4.887 125.307 120.400 0.033 0.000 2.429 210 D HA 0.370 5.010 4.640 0.000 0.000 0.242 210 D C 0.659 176.991 176.300 0.054 0.000 1.076 210 D CA 1.087 55.108 54.000 0.034 0.000 0.955 210 D CB 0.605 41.417 40.800 0.021 0.000 1.076 210 D HN 0.892 nan 8.370 nan 0.000 0.448 211 G N -0.669 108.158 108.800 0.045 0.000 2.880 211 G HA2 0.285 4.245 3.960 0.000 0.000 0.303 211 G HA3 0.285 4.245 3.960 0.000 0.000 0.303 211 G C -0.285 174.584 174.900 -0.050 0.000 2.853 211 G CA -0.320 44.828 45.100 0.081 0.000 0.748 211 G HN 0.183 nan 8.290 nan 0.000 0.349 212 K N -1.074 119.223 120.400 -0.173 0.000 3.610 212 K HA -0.167 4.153 4.320 0.000 0.000 0.283 212 K C 0.496 177.007 176.600 -0.148 0.000 1.210 212 K CA 1.527 57.617 56.287 -0.327 0.000 1.026 212 K CB -0.651 31.596 32.500 -0.421 0.000 1.295 212 K HN 0.544 nan 8.250 nan 0.000 0.468 213 K N 1.050 121.407 120.400 -0.072 0.000 2.240 213 K HA 0.456 4.776 4.320 0.000 0.000 0.271 213 K C -0.355 176.239 176.600 -0.011 0.000 1.018 213 K CA -0.400 55.866 56.287 -0.035 0.000 0.874 213 K CB 1.226 33.715 32.500 -0.018 0.000 1.098 213 K HN 0.011 nan 8.250 nan 0.000 0.458 214 I N 1.728 122.294 120.570 -0.008 0.000 2.433 214 I HA 0.188 4.358 4.170 0.000 0.000 0.292 214 I C -0.182 175.941 176.117 0.009 0.000 1.001 214 I CA -0.462 60.839 61.300 0.002 0.000 1.119 214 I CB 2.129 40.125 38.000 -0.008 0.000 1.289 214 I HN 0.428 nan 8.210 nan 0.000 0.438 215 T N 5.365 119.930 114.554 0.017 0.000 2.779 215 T HA 0.616 4.966 4.350 0.000 0.000 0.280 215 T C -0.375 174.337 174.700 0.021 0.000 0.987 215 T CA -0.564 61.550 62.100 0.022 0.000 0.966 215 T CB 1.507 70.395 68.868 0.032 0.000 0.933 215 T HN 0.196 nan 8.240 nan 0.000 0.442 216 V N 4.651 124.571 119.914 0.010 0.000 2.540 216 V HA 0.379 4.499 4.120 0.000 0.000 0.302 216 V C 0.472 176.576 176.094 0.017 0.000 1.035 216 V CA -1.062 61.247 62.300 0.015 0.000 0.873 216 V CB 1.672 33.492 31.823 -0.005 0.000 0.992 216 V HN 0.950 nan 8.190 nan 0.000 0.428 217 Q N 3.805 123.627 119.800 0.036 0.000 2.397 217 Q HA 0.509 4.849 4.340 0.000 0.000 0.193 217 Q C 0.839 176.856 176.000 0.028 0.000 1.083 217 Q CA 0.070 55.893 55.803 0.034 0.000 1.108 217 Q CB 0.502 29.266 28.738 0.043 0.000 1.172 217 Q HN 0.698 nan 8.270 nan 0.000 0.617 218 G N 0.418 109.234 108.800 0.027 0.000 2.935 218 G HA2 0.166 4.126 3.960 0.000 0.000 0.157 218 G HA3 0.166 4.126 3.960 0.000 0.000 0.157 218 G C -2.049 172.871 174.900 0.032 0.000 1.712 218 G CA -0.687 44.426 45.100 0.022 0.000 1.071 218 G HN 0.673 nan 8.290 nan 0.000 0.539 219 P HA 0.120 nan 4.420 nan 0.000 0.265 219 P C -0.823 176.512 177.300 0.057 0.000 1.222 219 P CA 0.497 63.621 63.100 0.039 0.000 0.767 219 P CB 0.939 32.658 31.700 0.032 0.000 0.801 220 Q N 2.736 122.578 119.800 0.071 0.000 2.309 220 Q HA 0.379 4.719 4.340 0.000 0.000 0.264 220 Q C -0.576 175.486 176.000 0.103 0.000 1.008 220 Q CA -0.657 55.207 55.803 0.101 0.000 0.853 220 Q CB 1.535 30.344 28.738 0.119 0.000 1.314 220 Q HN 0.179 nan 8.270 nan 0.000 0.448 221 K N 4.392 124.862 120.400 0.118 0.000 2.274 221 K HA 0.461 4.781 4.320 0.000 0.000 0.262 221 K C -1.379 175.305 176.600 0.141 0.000 0.961 221 K CA -0.429 55.927 56.287 0.114 0.000 0.833 221 K CB 0.658 33.215 32.500 0.096 0.000 1.102 221 K HN 0.706 nan 8.250 nan 0.000 0.436 222 L N 2.050 123.367 121.223 0.158 0.000 2.333 222 L HA 0.525 4.865 4.340 0.000 0.000 0.269 222 L C -0.041 176.950 176.870 0.201 0.000 1.010 222 L CA -1.004 53.964 54.840 0.213 0.000 0.818 222 L CB 2.160 44.401 42.059 0.304 0.000 1.306 222 L HN 0.578 nan 8.230 nan 0.000 0.430 223 T N -0.247 114.425 114.554 0.197 0.000 2.855 223 T HA 0.449 4.799 4.350 0.000 0.000 0.281 223 T C 0.234 174.991 174.700 0.096 0.000 1.007 223 T CA -0.617 61.552 62.100 0.116 0.000 1.009 223 T CB 1.730 70.623 68.868 0.042 0.000 0.983 223 T HN 0.745 nan 8.240 nan 0.000 0.455 224 G N 1.803 110.645 108.800 0.069 0.000 2.354 224 G HA2 0.438 4.398 3.960 0.000 0.000 0.266 224 G HA3 0.438 4.398 3.960 0.000 0.000 0.266 224 G C -0.488 174.321 174.900 -0.152 0.000 1.242 224 G CA -0.086 45.026 45.100 0.020 0.000 0.923 224 G HN 0.518 nan 8.290 nan 0.000 0.476 225 Q N 0.324 119.889 119.800 -0.391 0.000 2.416 225 Q HA 0.383 4.723 4.340 0.000 0.000 0.279 225 Q C -0.045 175.808 176.000 -0.244 0.000 1.101 225 Q CA -0.824 54.752 55.803 -0.379 0.000 0.830 225 Q CB 2.008 30.389 28.738 -0.594 0.000 1.402 225 Q HN 0.553 nan 8.270 nan 0.000 0.445 226 K N 1.238 121.560 120.400 -0.130 0.000 2.378 226 K HA 0.263 4.583 4.320 0.000 0.000 0.288 226 K C -1.252 175.341 176.600 -0.011 0.000 1.057 226 K CA -0.047 56.235 56.287 -0.010 0.000 0.971 226 K CB 0.183 32.699 32.500 0.026 0.000 0.975 226 K HN 0.393 nan 8.250 nan 0.000 0.475 227 V N 5.318 125.271 119.914 0.065 0.000 2.384 227 V HA 0.244 4.364 4.120 0.000 0.000 0.287 227 V C -0.390 175.796 176.094 0.153 0.000 1.020 227 V CA -0.938 61.408 62.300 0.077 0.000 0.850 227 V CB 1.647 33.532 31.823 0.104 0.000 0.987 227 V HN 0.451 nan 8.190 nan 0.000 0.436 228 V N 5.786 125.761 119.914 0.102 0.000 2.326 228 V HA 0.301 4.421 4.120 0.000 0.000 0.281 228 V C 0.084 176.215 176.094 0.061 0.000 1.015 228 V CA -0.672 61.690 62.300 0.103 0.000 0.823 228 V CB 1.678 33.528 31.823 0.044 0.000 1.009 228 V HN 0.632 nan 8.190 nan 0.000 0.436 229 V N 8.441 128.391 119.914 0.060 0.000 2.479 229 V HA 0.156 4.276 4.120 0.000 0.000 0.281 229 V C -1.899 174.204 176.094 0.015 0.000 1.031 229 V CA -1.074 61.242 62.300 0.025 0.000 1.038 229 V CB 0.749 32.576 31.823 0.007 0.000 0.981 229 V HN 0.711 nan 8.190 nan 0.000 0.478 230 P HA 0.232 nan 4.420 nan 0.000 0.272 230 P C 0.342 177.643 177.300 0.002 0.000 1.223 230 P CA 0.050 63.156 63.100 0.010 0.000 0.784 230 P CB 0.576 32.285 31.700 0.015 0.000 0.923 231 G N 0.896 109.706 108.800 0.016 0.000 2.527 231 G HA2 0.111 4.071 3.960 0.000 0.000 0.248 231 G HA3 0.111 4.071 3.960 0.000 0.000 0.248 231 G C -0.455 174.459 174.900 0.022 0.000 1.231 231 G CA -0.153 44.957 45.100 0.017 0.000 0.838 231 G HN 0.399 nan 8.290 nan 0.000 0.570 232 D N 0.763 121.171 120.400 0.013 0.000 2.371 232 D HA 0.050 4.690 4.640 0.000 0.000 0.256 232 D C 1.752 178.091 176.300 0.064 0.000 1.193 232 D CA -0.538 53.478 54.000 0.027 0.000 0.881 232 D CB 0.919 41.725 40.800 0.010 0.000 1.143 232 D HN 0.189 nan 8.370 nan 0.000 0.473 233 I N 1.601 122.207 120.570 0.061 0.000 2.454 233 I HA -0.167 4.003 4.170 0.000 0.000 0.254 233 I C 2.113 178.256 176.117 0.044 0.000 1.156 233 I CA 0.568 61.904 61.300 0.060 0.000 1.433 233 I CB -0.552 37.475 38.000 0.045 0.000 1.082 233 I HN 0.127 nan 8.210 nan 0.000 0.432 234 S N 0.713 116.442 115.700 0.049 0.000 2.368 234 S HA -0.135 4.335 4.470 0.000 0.000 0.225 234 S C 2.168 176.839 174.600 0.118 0.000 1.030 234 S CA 1.770 59.992 58.200 0.037 0.000 0.999 234 S CB -0.362 62.888 63.200 0.084 0.000 0.844 234 S HN 0.558 nan 8.310 nan 0.000 0.459 235 S N 1.238 117.065 115.700 0.211 0.000 2.436 235 S HA 0.186 4.656 4.470 0.000 0.000 0.228 235 S C 2.033 176.879 174.600 0.410 0.000 1.014 235 S CA 0.643 59.074 58.200 0.386 0.000 0.950 235 S CB -0.176 63.133 63.200 0.182 0.000 0.784 235 S HN 0.565 nan 8.310 nan 0.000 0.504 236 A N 1.235 124.219 122.820 0.273 0.000 2.067 236 A HA 0.431 4.751 4.320 0.000 0.000 0.217 236 A C 2.192 179.888 177.584 0.187 0.000 1.156 236 A CA 1.031 53.254 52.037 0.310 0.000 0.683 236 A CB -0.614 18.520 19.000 0.224 0.000 0.808 236 A HN 0.456 nan 8.150 nan 0.000 0.455 237 A N -0.767 122.063 122.820 0.016 0.000 1.969 237 A HA 0.036 4.356 4.320 0.000 0.000 0.218 237 A C 1.830 179.294 177.584 -0.199 0.000 1.169 237 A CA 1.174 53.130 52.037 -0.135 0.000 0.635 237 A CB -0.727 18.101 19.000 -0.286 0.000 0.810 237 A HN 0.484 nan 8.150 nan 0.000 0.445 238 F N -1.799 118.074 119.950 -0.129 0.000 2.186 238 F HA -0.174 4.353 4.527 0.000 0.000 0.299 238 F C 2.108 177.776 175.800 -0.220 0.000 1.090 238 F CA 1.238 59.078 58.000 -0.268 0.000 1.307 238 F CB -0.461 38.246 39.000 -0.488 0.000 1.019 238 F HN 0.384 nan 8.300 nan 0.000 0.489 239 W N -1.164 120.300 121.300 0.274 0.000 2.476 239 W HA -0.004 4.656 4.660 0.000 0.000 0.281 239 W C 1.964 178.533 176.519 0.082 0.000 1.230 239 W CA -0.398 57.036 57.345 0.149 0.000 1.287 239 W CB -0.456 29.087 29.460 0.138 0.000 1.108 239 W HN -0.098 nan 8.180 nan 0.000 0.567 240 L N -0.004 121.370 121.223 0.252 0.000 2.046 240 L HA -0.150 4.191 4.340 0.000 0.000 0.208 240 L C 2.168 179.089 176.870 0.085 0.000 1.077 240 L CA 1.536 56.458 54.840 0.137 0.000 0.747 240 L CB -1.176 40.931 42.059 0.081 0.000 0.896 240 L HN -0.142 nan 8.230 nan 0.000 0.432 241 V N -0.944 119.003 119.914 0.055 0.000 2.488 241 V HA -0.150 3.970 4.120 0.000 0.000 0.246 241 V C 2.601 178.731 176.094 0.059 0.000 1.046 241 V CA 1.205 63.522 62.300 0.028 0.000 1.053 241 V CB -0.817 30.994 31.823 -0.020 0.000 0.679 241 V HN 0.478 nan 8.190 nan 0.000 0.458 242 A N 0.653 123.538 122.820 0.108 0.000 1.902 242 A HA -0.087 4.233 4.320 0.000 0.000 0.217 242 A C 2.391 180.032 177.584 0.096 0.000 1.181 242 A CA 1.921 54.033 52.037 0.125 0.000 0.623 242 A CB -1.113 18.020 19.000 0.221 0.000 0.818 242 A HN 0.514 nan 8.150 nan 0.000 0.443 243 G N -0.399 108.463 108.800 0.103 0.000 2.408 243 G HA2 -0.081 3.879 3.960 0.000 0.000 0.217 243 G HA3 -0.081 3.879 3.960 0.000 0.000 0.217 243 G C 1.500 176.416 174.900 0.026 0.000 1.150 243 G CA 0.967 46.097 45.100 0.050 0.000 0.776 243 G HN 0.435 nan 8.290 nan 0.000 0.542 244 L N -0.521 120.723 121.223 0.035 0.000 2.240 244 L HA 0.216 4.556 4.340 0.000 0.000 0.211 244 L C 2.526 179.407 176.870 0.017 0.000 1.106 244 L CA 0.445 55.298 54.840 0.022 0.000 0.793 244 L CB -0.059 42.013 42.059 0.021 0.000 0.927 244 L HN 0.187 nan 8.230 nan 0.000 0.446 245 I N -0.853 119.729 120.570 0.020 0.000 2.947 245 I HA 0.092 4.262 4.170 0.000 0.000 0.263 245 I C 1.405 177.529 176.117 0.013 0.000 1.130 245 I CA -0.078 61.231 61.300 0.016 0.000 1.448 245 I CB 0.107 38.116 38.000 0.016 0.000 1.222 245 I HN 0.008 nan 8.210 nan 0.000 0.453 246 A N 3.396 126.226 122.820 0.016 0.000 2.511 246 A HA 0.228 4.548 4.320 0.000 0.000 0.242 246 A C -2.240 175.345 177.584 0.002 0.000 1.069 246 A CA -0.922 51.119 52.037 0.008 0.000 0.763 246 A CB -0.799 18.207 19.000 0.010 0.000 1.001 246 A HN 0.032 nan 8.150 nan 0.000 0.498 247 P HA 0.013 nan 4.420 nan 0.000 0.269 247 P C -0.502 176.814 177.300 0.027 0.000 1.209 247 P CA -0.077 63.031 63.100 0.013 0.000 0.776 247 P CB 0.274 31.980 31.700 0.010 0.000 0.876 248 N N -1.121 117.607 118.700 0.046 0.000 2.716 248 N HA -0.132 4.608 4.740 0.000 0.000 0.250 248 N C -0.674 174.869 175.510 0.055 0.000 1.033 248 N CA 0.994 54.099 53.050 0.093 0.000 0.727 248 N CB -1.794 36.782 38.487 0.149 0.000 0.950 248 N HN 0.358 nan 8.380 nan 0.000 0.541 249 S N 0.111 115.770 115.700 -0.068 0.000 2.532 249 S HA 0.676 5.146 4.470 0.000 0.000 0.301 249 S C 0.202 174.647 174.600 -0.259 0.000 1.083 249 S CA -0.778 57.246 58.200 -0.292 0.000 1.025 249 S CB 3.143 66.249 63.200 -0.155 0.000 1.056 249 S HN 0.369 nan 8.310 nan 0.000 0.494 250 R N 2.027 122.265 120.500 -0.437 0.000 2.508 250 R HA 0.478 4.818 4.340 0.000 0.000 0.283 250 R C -2.081 174.172 176.300 -0.079 0.000 1.120 250 R CA -0.350 55.679 56.100 -0.117 0.000 0.958 250 R CB 0.686 31.032 30.300 0.077 0.000 1.215 250 R HN 0.611 nan 8.270 nan 0.000 0.427 251 L N 4.302 125.507 121.223 -0.031 0.000 2.362 251 L HA 0.595 4.935 4.340 0.000 0.000 0.275 251 L C -0.513 176.359 176.870 0.004 0.000 0.998 251 L CA -1.306 53.520 54.840 -0.023 0.000 0.820 251 L CB 2.196 44.243 42.059 -0.020 0.000 1.270 251 L HN 0.229 nan 8.230 nan 0.000 0.415 252 V N 4.286 124.195 119.914 -0.007 0.000 2.370 252 V HA 0.347 4.467 4.120 0.000 0.000 0.279 252 V C -0.236 175.856 176.094 -0.003 0.000 1.029 252 V CA -0.377 61.925 62.300 0.003 0.000 0.870 252 V CB 1.658 33.482 31.823 0.002 0.000 0.984 252 V HN 0.408 nan 8.190 nan 0.000 0.451 253 L N 5.512 126.750 121.223 0.025 0.000 2.324 253 L HA 0.458 4.798 4.340 0.000 0.000 0.274 253 L C 0.161 177.055 176.870 0.040 0.000 1.012 253 L CA 0.325 55.191 54.840 0.043 0.000 0.859 253 L CB 1.370 43.489 42.059 0.099 0.000 1.224 253 L HN 0.652 nan 8.230 nan 0.000 0.429 254 Q N 2.624 122.439 119.800 0.026 0.000 2.259 254 Q HA 0.257 4.598 4.340 0.000 0.000 0.246 254 Q C 0.249 176.265 176.000 0.027 0.000 0.920 254 Q CA -0.395 55.419 55.803 0.019 0.000 0.895 254 Q CB 0.819 29.561 28.738 0.006 0.000 1.220 254 Q HN 0.527 nan 8.270 nan 0.000 0.439 255 N N 0.809 119.521 118.700 0.021 0.000 2.641 255 N HA -0.177 4.563 4.740 0.000 0.000 0.267 255 N C -1.743 173.787 175.510 0.034 0.000 1.087 255 N CA -0.192 52.871 53.050 0.022 0.000 0.731 255 N CB -0.298 38.197 38.487 0.014 0.000 0.886 255 N HN 0.224 nan 8.380 nan 0.000 0.547 256 V N 0.870 120.808 119.914 0.040 0.000 2.495 256 V HA 0.522 4.643 4.120 0.000 0.000 0.298 256 V C 1.321 177.441 176.094 0.045 0.000 1.031 256 V CA -0.393 61.937 62.300 0.051 0.000 0.871 256 V CB 1.778 33.641 31.823 0.067 0.000 0.988 256 V HN 0.423 nan 8.190 nan 0.000 0.432 257 G N 2.768 111.595 108.800 0.046 0.000 2.254 257 G HA2 0.276 4.236 3.960 0.000 0.000 0.253 257 G HA3 0.276 4.236 3.960 0.000 0.000 0.253 257 G C 0.095 175.031 174.900 0.060 0.000 1.246 257 G CA 0.092 45.224 45.100 0.053 0.000 0.946 257 G HN 0.764 nan 8.290 nan 0.000 0.474 258 I N 2.005 122.608 120.570 0.056 0.000 3.889 258 I HA 0.161 4.331 4.170 0.000 0.000 0.332 258 I C 0.993 177.136 176.117 0.044 0.000 1.493 258 I CA -0.695 60.631 61.300 0.043 0.000 1.158 258 I CB -0.359 37.659 38.000 0.030 0.000 1.117 258 I HN 0.493 nan 8.210 nan 0.000 0.411 259 N N 0.972 119.716 118.700 0.073 0.000 2.411 259 N HA -0.098 4.642 4.740 0.000 0.000 0.261 259 N C 1.360 176.880 175.510 0.017 0.000 1.248 259 N CA 0.324 53.408 53.050 0.057 0.000 0.885 259 N CB 0.597 39.156 38.487 0.119 0.000 1.062 259 N HN 0.155 nan 8.380 nan 0.000 0.471 260 E N 1.072 121.265 120.200 -0.012 0.000 2.153 260 E HA -0.177 4.173 4.350 0.000 0.000 0.194 260 E C 1.320 177.900 176.600 -0.034 0.000 0.988 260 E CA 1.068 57.452 56.400 -0.027 0.000 0.811 260 E CB -0.157 29.517 29.700 -0.044 0.000 0.746 260 E HN 0.645 nan 8.360 nan 0.000 0.466 261 T N -0.125 114.404 114.554 -0.042 0.000 3.113 261 T HA -0.022 4.328 4.350 0.000 0.000 0.263 261 T C 1.382 176.077 174.700 -0.008 0.000 1.143 261 T CA 0.509 62.589 62.100 -0.034 0.000 1.090 261 T CB 0.130 68.971 68.868 -0.045 0.000 0.922 261 T HN -0.012 nan 8.240 nan 0.000 0.521 262 R N 0.247 120.753 120.500 0.009 0.000 2.487 262 R HA 0.118 4.458 4.340 0.000 0.000 0.272 262 R C 0.801 177.116 176.300 0.025 0.000 0.928 262 R CA 0.410 56.532 56.100 0.036 0.000 1.077 262 R CB 0.449 30.803 30.300 0.090 0.000 1.265 262 R HN 0.380 nan 8.270 nan 0.000 0.537 263 T N -1.627 112.935 114.554 0.013 0.000 3.540 263 T HA 0.239 4.589 4.350 0.000 0.000 0.269 263 T C 1.224 175.921 174.700 -0.006 0.000 1.481 263 T CA -0.195 61.910 62.100 0.007 0.000 1.224 263 T CB 0.870 69.744 68.868 0.009 0.000 1.192 263 T HN 0.124 nan 8.240 nan 0.000 0.756 264 G N 1.766 110.561 108.800 -0.010 0.000 2.494 264 G HA2 0.028 3.988 3.960 0.000 0.000 0.216 264 G HA3 0.028 3.988 3.960 0.000 0.000 0.216 264 G C 1.188 176.075 174.900 -0.021 0.000 1.140 264 G CA 0.377 45.467 45.100 -0.017 0.000 0.801 264 G HN 0.701 nan 8.290 nan 0.000 0.536 265 I N 0.246 120.801 120.570 -0.025 0.000 2.226 265 I HA -0.041 4.129 4.170 0.000 0.000 0.245 265 I C 2.481 178.586 176.117 -0.019 0.000 1.100 265 I CA 0.946 62.227 61.300 -0.031 0.000 1.374 265 I CB -0.443 37.530 38.000 -0.044 0.000 1.057 265 I HN 0.035 nan 8.210 nan 0.000 0.413 266 I N 1.338 121.902 120.570 -0.010 0.000 2.226 266 I HA -0.277 3.893 4.170 0.000 0.000 0.245 266 I C 1.960 178.073 176.117 -0.007 0.000 1.100 266 I CA 1.738 63.036 61.300 -0.004 0.000 1.374 266 I CB -0.596 37.405 38.000 0.002 0.000 1.057 266 I HN 0.210 nan 8.210 nan 0.000 0.413 267 D N -0.039 120.354 120.400 -0.012 0.000 2.178 267 D HA -0.143 4.497 4.640 0.000 0.000 0.201 267 D C 2.233 178.525 176.300 -0.013 0.000 0.980 267 D CA 1.012 55.004 54.000 -0.014 0.000 0.842 267 D CB 0.037 40.827 40.800 -0.018 0.000 0.948 267 D HN 0.102 nan 8.370 nan 0.000 0.472 268 V N 0.264 120.169 119.914 -0.015 0.000 2.346 268 V HA -0.136 3.984 4.120 0.000 0.000 0.244 268 V C 2.233 178.320 176.094 -0.012 0.000 1.037 268 V CA 0.935 63.226 62.300 -0.016 0.000 1.029 268 V CB -0.289 31.521 31.823 -0.022 0.000 0.663 268 V HN 0.206 nan 8.190 nan 0.000 0.454 269 I N -0.384 120.179 120.570 -0.011 0.000 2.208 269 I HA -0.238 3.932 4.170 0.000 0.000 0.245 269 I C 2.772 178.887 176.117 -0.003 0.000 1.097 269 I CA 1.579 62.875 61.300 -0.006 0.000 1.363 269 I CB -0.364 37.635 38.000 -0.002 0.000 1.051 269 I HN 0.185 nan 8.210 nan 0.000 0.413 270 R N 0.385 120.883 120.500 -0.003 0.000 2.115 270 R HA -0.049 4.291 4.340 0.000 0.000 0.230 270 R C 2.290 178.588 176.300 -0.003 0.000 1.111 270 R CA 1.361 57.459 56.100 -0.002 0.000 0.976 270 R CB -0.386 29.912 30.300 -0.003 0.000 0.870 270 R HN 0.369 nan 8.270 nan 0.000 0.445 271 A N 0.599 123.415 122.820 -0.006 0.000 2.016 271 A HA -0.029 4.291 4.320 0.000 0.000 0.217 271 A C 2.068 179.649 177.584 -0.005 0.000 1.162 271 A CA 0.778 52.812 52.037 -0.006 0.000 0.662 271 A CB -0.186 18.809 19.000 -0.008 0.000 0.812 271 A HN 0.138 nan 8.150 nan 0.000 0.450 272 M N -1.687 117.911 119.600 -0.005 0.000 2.419 272 M HA 0.085 4.565 4.480 0.000 0.000 0.264 272 M C 1.367 177.667 176.300 -0.001 0.000 1.082 272 M CA 1.149 56.447 55.300 -0.003 0.000 1.119 272 M CB 0.102 32.700 32.600 -0.004 0.000 1.398 272 M HN 0.667 nan 8.290 nan 0.000 0.453 273 G N 0.687 109.487 108.800 0.000 0.000 2.135 273 G HA2 -0.135 3.825 3.960 0.000 0.000 0.183 273 G HA3 -0.135 3.825 3.960 0.000 0.000 0.183 273 G C 0.172 175.075 174.900 0.004 0.000 1.004 273 G CA -0.292 44.809 45.100 0.002 0.000 0.677 273 G HN 0.621 nan 8.290 nan 0.000 0.512 274 G N 0.110 108.913 108.800 0.004 0.000 2.380 274 G HA2 0.486 4.446 3.960 0.000 0.000 0.262 274 G HA3 0.486 4.446 3.960 0.000 0.000 0.262 274 G C 0.253 175.159 174.900 0.010 0.000 1.243 274 G CA -0.494 44.611 45.100 0.007 0.000 0.865 274 G HN 0.360 nan 8.290 nan 0.000 0.513 275 K N 1.594 122.001 120.400 0.012 0.000 2.167 275 K HA 0.134 4.454 4.320 0.000 0.000 0.275 275 K C -0.598 176.012 176.600 0.017 0.000 1.103 275 K CA -0.248 56.047 56.287 0.014 0.000 0.963 275 K CB 0.493 33.002 32.500 0.015 0.000 1.243 275 K HN 0.278 nan 8.250 nan 0.000 0.407 276 L N 2.357 123.589 121.223 0.015 0.000 2.319 276 L HA 0.297 4.637 4.340 0.000 0.000 0.281 276 L C -0.774 176.106 176.870 0.017 0.000 1.005 276 L CA -0.214 54.637 54.840 0.019 0.000 0.828 276 L CB 1.409 43.479 42.059 0.018 0.000 1.227 276 L HN 0.366 nan 8.230 nan 0.000 0.415 277 E N 5.467 125.679 120.200 0.019 0.000 2.216 277 E HA 0.495 4.845 4.350 0.000 0.000 0.279 277 E C -0.993 175.617 176.600 0.017 0.000 0.997 277 E CA -0.599 55.810 56.400 0.016 0.000 0.817 277 E CB 1.609 31.318 29.700 0.016 0.000 1.096 277 E HN 0.476 nan 8.360 nan 0.000 0.393 278 I N 2.973 123.551 120.570 0.013 0.000 2.389 278 I HA 0.312 4.482 4.170 0.000 0.000 0.288 278 I C -0.024 176.099 176.117 0.009 0.000 0.999 278 I CA -0.598 60.709 61.300 0.013 0.000 1.129 278 I CB 0.772 38.779 38.000 0.011 0.000 1.288 278 I HN 0.471 nan 8.210 nan 0.000 0.444 279 T N 0.979 115.538 114.554 0.009 0.000 2.883 279 T HA 0.530 4.880 4.350 0.000 0.000 0.296 279 T C -0.453 174.250 174.700 0.004 0.000 1.117 279 T CA -0.929 61.174 62.100 0.006 0.000 1.006 279 T CB 1.996 70.867 68.868 0.005 0.000 1.191 279 T HN 0.533 nan 8.240 nan 0.000 0.508 280 E N 0.117 120.317 120.200 0.001 0.000 2.393 280 E HA -0.154 4.196 4.350 0.000 0.000 0.169 280 E C -0.926 175.674 176.600 -0.000 0.000 1.591 280 E CA 0.156 56.555 56.400 -0.002 0.000 0.661 280 E CB -1.601 28.096 29.700 -0.004 0.000 1.097 280 E HN 0.575 nan 8.360 nan 0.000 0.356 281 I N 1.510 122.079 120.570 -0.001 0.000 2.325 281 I HA 0.125 4.295 4.170 0.000 0.000 0.291 281 I C 0.582 176.697 176.117 -0.002 0.000 1.019 281 I CA -0.234 61.067 61.300 0.001 0.000 1.302 281 I CB 0.791 38.792 38.000 0.002 0.000 1.401 281 I HN 0.165 nan 8.210 nan 0.000 0.485 282 D N 9.229 129.629 120.400 -0.001 0.000 2.396 282 D HA 0.207 4.847 4.640 0.000 0.000 0.225 282 D C -1.618 174.680 176.300 -0.002 0.000 1.121 282 D CA -1.878 52.119 54.000 -0.005 0.000 0.853 282 D CB 1.854 42.651 40.800 -0.006 0.000 1.043 282 D HN 0.260 nan 8.370 nan 0.000 0.500 283 P HA -0.073 nan 4.420 nan 0.000 0.225 283 P C 1.435 178.731 177.300 -0.006 0.000 1.156 283 P CA 0.274 63.371 63.100 -0.004 0.000 0.787 283 P CB 0.721 32.417 31.700 -0.007 0.000 0.802 284 V N 0.815 120.722 119.914 -0.012 0.000 2.346 284 V HA -0.038 4.082 4.120 0.000 0.000 0.244 284 V C 2.681 178.769 176.094 -0.009 0.000 1.037 284 V CA 2.115 64.404 62.300 -0.019 0.000 1.029 284 V CB -1.647 30.155 31.823 -0.035 0.000 0.663 284 V HN 0.073 nan 8.190 nan 0.000 0.454 285 A N -1.662 121.156 122.820 -0.003 0.000 2.178 285 A HA 0.072 4.392 4.320 0.000 0.000 0.211 285 A C 0.997 178.598 177.584 0.028 0.000 1.157 285 A CA 0.146 52.189 52.037 0.011 0.000 0.780 285 A CB -0.163 18.842 19.000 0.008 0.000 0.828 285 A HN 0.451 nan 8.150 nan 0.000 0.476 286 K N 0.515 120.929 120.400 0.024 0.000 3.585 286 K HA -0.123 4.197 4.320 0.000 0.000 0.275 286 K C -0.447 176.175 176.600 0.036 0.000 1.026 286 K CA 0.950 57.257 56.287 0.034 0.000 0.800 286 K CB -2.321 30.212 32.500 0.056 0.000 1.401 286 K HN 0.888 nan 8.250 nan 0.000 0.453 287 S N -1.187 114.528 115.700 0.024 0.000 2.546 287 S HA 0.890 5.360 4.470 0.000 0.000 0.274 287 S C -0.713 173.897 174.600 0.018 0.000 1.121 287 S CA -0.336 57.878 58.200 0.024 0.000 0.887 287 S CB 2.986 66.198 63.200 0.020 0.000 1.094 287 S HN 0.670 nan 8.310 nan 0.000 0.474 288 A N 1.381 124.214 122.820 0.021 0.000 2.572 288 A HA 0.813 5.133 4.320 0.000 0.000 0.295 288 A C -0.372 177.225 177.584 0.022 0.000 1.072 288 A CA -0.873 51.174 52.037 0.018 0.000 0.691 288 A CB 1.209 20.219 19.000 0.017 0.000 1.291 288 A HN 0.818 nan 8.150 nan 0.000 0.404 289 T N 2.106 116.670 114.554 0.018 0.000 2.794 289 T HA 0.518 4.868 4.350 0.000 0.000 0.296 289 T C -0.265 174.451 174.700 0.026 0.000 0.949 289 T CA 0.274 62.386 62.100 0.021 0.000 1.101 289 T CB -0.257 68.619 68.868 0.013 0.000 0.905 289 T HN 0.400 nan 8.240 nan 0.000 0.516 290 L N 4.522 125.766 121.223 0.036 0.000 2.325 290 L HA 0.626 4.966 4.340 0.000 0.000 0.281 290 L C -0.615 176.280 176.870 0.042 0.000 1.004 290 L CA -0.902 53.962 54.840 0.040 0.000 0.823 290 L CB 1.211 43.301 42.059 0.052 0.000 1.236 290 L HN 0.516 nan 8.230 nan 0.000 0.415 291 I N 4.045 124.636 120.570 0.034 0.000 2.436 291 I HA 0.523 4.693 4.170 0.000 0.000 0.289 291 I C -0.226 175.911 176.117 0.034 0.000 1.010 291 I CA -0.853 60.467 61.300 0.033 0.000 1.098 291 I CB 2.099 40.115 38.000 0.026 0.000 1.266 291 I HN 0.297 nan 8.210 nan 0.000 0.434 292 V N 2.578 122.514 119.914 0.038 0.000 2.680 292 V HA 0.854 4.974 4.120 0.000 0.000 0.309 292 V C -0.639 175.469 176.094 0.023 0.000 1.052 292 V CA -0.539 61.782 62.300 0.035 0.000 0.908 292 V CB 1.647 33.499 31.823 0.049 0.000 1.001 292 V HN 0.906 nan 8.190 nan 0.000 0.431 293 E N 1.558 121.770 120.200 0.020 0.000 2.416 293 E HA 0.578 4.928 4.350 0.000 0.000 0.273 293 E C -0.937 175.670 176.600 0.012 0.000 0.935 293 E CA -0.972 55.435 56.400 0.012 0.000 0.784 293 E CB 1.872 31.586 29.700 0.023 0.000 1.301 293 E HN 0.531 nan 8.360 nan 0.000 0.454 294 S N 1.140 116.845 115.700 0.009 0.000 2.629 294 S HA 0.163 4.633 4.470 0.000 0.000 0.302 294 S C -0.604 174.005 174.600 0.015 0.000 1.244 294 S CA -0.004 58.203 58.200 0.012 0.000 1.098 294 S CB -0.177 63.031 63.200 0.014 0.000 0.858 294 S HN 0.449 nan 8.310 nan 0.000 0.502 295 S N 1.954 117.662 115.700 0.013 0.000 2.569 295 S HA 0.364 4.835 4.470 0.000 0.000 0.280 295 S C -1.141 173.465 174.600 0.010 0.000 1.111 295 S CA -1.104 57.103 58.200 0.012 0.000 0.887 295 S CB 1.314 64.521 63.200 0.012 0.000 1.095 295 S HN 0.631 nan 8.310 nan 0.000 0.476 296 D N 2.091 122.497 120.400 0.009 0.000 2.316 296 D HA 0.313 4.954 4.640 0.000 0.000 0.245 296 D C -0.690 175.613 176.300 0.006 0.000 1.171 296 D CA -0.266 53.739 54.000 0.008 0.000 0.856 296 D CB 0.861 41.666 40.800 0.007 0.000 1.090 296 D HN 0.101 nan 8.370 nan 0.000 0.476 297 L N 2.297 123.523 121.223 0.005 0.000 2.344 297 L HA 0.409 4.749 4.340 0.000 0.000 0.272 297 L C 0.704 177.575 176.870 0.002 0.000 1.035 297 L CA -0.417 54.425 54.840 0.003 0.000 0.807 297 L CB 1.045 43.105 42.059 0.001 0.000 1.237 297 L HN 0.148 nan 8.230 nan 0.000 0.442 298 K N 0.206 120.606 120.400 0.000 0.000 2.295 298 K HA 0.650 4.970 4.320 0.000 0.000 0.239 298 K C -0.063 176.536 176.600 -0.002 0.000 0.991 298 K CA -0.908 55.379 56.287 -0.000 0.000 0.845 298 K CB 1.608 34.108 32.500 0.000 0.000 1.197 298 K HN 0.736 nan 8.250 nan 0.000 0.441 299 G N 0.262 109.061 108.800 -0.002 0.000 2.406 299 G HA2 0.274 4.234 3.960 0.000 0.000 0.251 299 G HA3 0.274 4.234 3.960 0.000 0.000 0.251 299 G C -0.500 174.398 174.900 -0.004 0.000 1.271 299 G CA 0.218 45.316 45.100 -0.003 0.000 0.859 299 G HN 0.349 nan 8.290 nan 0.000 0.540 300 T N 0.441 114.992 114.554 -0.005 0.000 2.896 300 T HA 0.443 4.793 4.350 0.000 0.000 0.297 300 T C -0.900 173.796 174.700 -0.007 0.000 1.108 300 T CA -0.649 61.447 62.100 -0.006 0.000 1.004 300 T CB 1.831 70.695 68.868 -0.007 0.000 1.159 300 T HN 0.482 nan 8.240 nan 0.000 0.499 301 E N 2.172 122.368 120.200 -0.007 0.000 2.146 301 E HA 0.468 4.818 4.350 0.000 0.000 0.282 301 E C -0.886 175.709 176.600 -0.009 0.000 0.989 301 E CA -0.447 55.949 56.400 -0.007 0.000 0.799 301 E CB 0.590 30.287 29.700 -0.006 0.000 1.088 301 E HN 0.450 nan 8.360 nan 0.000 0.397 302 I N 5.931 126.495 120.570 -0.009 0.000 2.371 302 I HA 0.297 4.467 4.170 0.000 0.000 0.282 302 I C -0.426 175.686 176.117 -0.009 0.000 1.031 302 I CA -0.415 60.878 61.300 -0.011 0.000 1.180 302 I CB 0.374 38.366 38.000 -0.014 0.000 1.336 302 I HN 0.536 nan 8.210 nan 0.000 0.467 303 C N 2.572 121.867 119.300 -0.008 0.000 3.320 303 C HA 0.995 5.455 4.460 0.000 0.000 0.335 303 C C 0.631 175.618 174.990 -0.005 0.000 1.430 303 C CA -0.004 59.010 59.018 -0.006 0.000 1.271 303 C CB 1.028 28.765 27.740 -0.004 0.000 1.609 303 C HN 1.212 nan 8.230 nan 0.000 0.457 304 G N 0.775 109.574 108.800 -0.002 0.000 2.496 304 G HA2 0.258 4.218 3.960 0.000 0.000 0.243 304 G HA3 0.258 4.218 3.960 0.000 0.000 0.243 304 G C 0.864 175.766 174.900 0.003 0.000 1.176 304 G CA 1.010 46.110 45.100 0.000 0.000 0.940 304 G HN 2.491 nan 8.290 nan 0.000 0.573 305 A N -0.716 122.105 122.820 0.001 0.000 2.235 305 A HA 0.471 4.791 4.320 0.000 0.000 0.208 305 A C 2.276 179.857 177.584 -0.006 0.000 1.172 305 A CA 2.063 54.102 52.037 0.004 0.000 0.786 305 A CB -0.165 18.834 19.000 -0.001 0.000 0.804 305 A HN 1.523 nan 8.150 nan 0.000 0.479 306 L N -0.419 120.798 121.223 -0.010 0.000 2.240 306 L HA -0.012 4.328 4.340 0.000 0.000 0.211 306 L C 1.876 178.740 176.870 -0.009 0.000 1.106 306 L CA 1.212 56.043 54.840 -0.014 0.000 0.793 306 L CB -0.297 41.753 42.059 -0.016 0.000 0.927 306 L HN 0.305 nan 8.230 nan 0.000 0.446 307 I N 0.778 121.345 120.570 -0.004 0.000 2.163 307 I HA -0.130 4.040 4.170 0.000 0.000 0.240 307 I C -0.226 175.892 176.117 0.002 0.000 1.081 307 I CA 1.239 62.538 61.300 -0.003 0.000 1.353 307 I CB -2.661 35.338 38.000 -0.001 0.000 1.054 307 I HN 0.229 nan 8.210 nan 0.000 0.407 308 P HA -0.062 nan 4.420 nan 0.000 0.234 308 P C 1.429 178.738 177.300 0.015 0.000 1.167 308 P CA 1.134 64.244 63.100 0.016 0.000 0.763 308 P CB -0.119 31.597 31.700 0.027 0.000 0.835 309 R N -0.355 120.149 120.500 0.006 0.000 2.280 309 R HA 0.229 4.569 4.340 0.000 0.000 0.195 309 R C 1.362 177.662 176.300 -0.001 0.000 0.935 309 R CA 0.477 56.579 56.100 0.002 0.000 1.033 309 R CB -0.005 30.289 30.300 -0.009 0.000 0.964 309 R HN 0.234 nan 8.270 nan 0.000 0.489 310 L N -1.905 119.315 121.223 -0.006 0.000 3.439 310 L HA 0.314 4.654 4.340 0.000 0.000 0.313 310 L C 0.948 177.806 176.870 -0.020 0.000 1.292 310 L CA -0.045 54.785 54.840 -0.017 0.000 1.020 310 L CB -0.098 41.945 42.059 -0.027 0.000 1.424 310 L HN -0.025 nan 8.230 nan 0.000 0.612 311 I N -1.822 118.743 120.570 -0.008 0.000 2.208 311 I HA -0.182 3.988 4.170 0.000 0.000 0.245 311 I C 1.693 177.801 176.117 -0.015 0.000 1.097 311 I CA 1.636 62.931 61.300 -0.008 0.000 1.363 311 I CB -0.578 37.425 38.000 0.005 0.000 1.051 311 I HN 0.142 nan 8.210 nan 0.000 0.413 312 D N 0.851 121.244 120.400 -0.011 0.000 2.312 312 D HA -0.102 4.538 4.640 0.000 0.000 0.211 312 D C 1.579 177.842 176.300 -0.062 0.000 0.964 312 D CA 0.978 54.968 54.000 -0.017 0.000 0.877 312 D CB -0.022 40.786 40.800 0.014 0.000 0.924 312 D HN 0.519 nan 8.370 nan 0.000 0.515 313 E N -0.097 120.057 120.200 -0.077 0.000 2.463 313 E HA 0.152 4.502 4.350 0.000 0.000 0.193 313 E C 1.882 178.410 176.600 -0.121 0.000 1.041 313 E CA -0.183 56.136 56.400 -0.134 0.000 0.879 313 E CB 0.160 29.788 29.700 -0.121 0.000 0.997 313 E HN 0.183 nan 8.360 nan 0.000 0.478 314 L N 0.790 121.964 121.223 -0.081 0.000 2.012 314 L HA -0.137 4.203 4.340 0.000 0.000 0.210 314 L C -0.704 176.126 176.870 -0.067 0.000 1.073 314 L CA 1.464 56.267 54.840 -0.062 0.000 0.748 314 L CB -1.056 40.979 42.059 -0.039 0.000 0.891 314 L HN 0.178 nan 8.230 nan 0.000 0.431 315 P HA -0.135 nan 4.420 nan 0.000 0.218 315 P C 1.523 178.778 177.300 -0.076 0.000 1.149 315 P CA 1.360 64.426 63.100 -0.057 0.000 0.817 315 P CB 0.047 31.722 31.700 -0.043 0.000 0.785 316 I N -1.841 118.638 120.570 -0.152 0.000 2.500 316 I HA -0.100 4.070 4.170 0.000 0.000 0.252 316 I C 2.222 178.261 176.117 -0.130 0.000 1.142 316 I CA 1.047 62.227 61.300 -0.200 0.000 1.451 316 I CB -0.671 37.049 38.000 -0.466 0.000 1.093 316 I HN -0.179 nan 8.210 nan 0.000 0.430 317 I N 0.783 121.286 120.570 -0.112 0.000 2.394 317 I HA -0.258 3.912 4.170 0.000 0.000 0.251 317 I C 2.671 178.758 176.117 -0.049 0.000 1.136 317 I CA 1.173 62.429 61.300 -0.073 0.000 1.425 317 I CB -0.336 37.626 38.000 -0.064 0.000 1.079 317 I HN 0.200 nan 8.210 nan 0.000 0.425 318 A N 0.462 123.255 122.820 -0.045 0.000 1.908 318 A HA -0.228 4.092 4.320 0.000 0.000 0.218 318 A C 2.228 179.798 177.584 -0.024 0.000 1.181 318 A CA 1.642 53.661 52.037 -0.029 0.000 0.627 318 A CB -0.747 18.239 19.000 -0.025 0.000 0.818 318 A HN 0.402 nan 8.150 nan 0.000 0.445 319 L N -0.996 120.210 121.223 -0.027 0.000 2.156 319 L HA 0.017 4.357 4.340 0.000 0.000 0.208 319 L C 2.133 178.993 176.870 -0.016 0.000 1.095 319 L CA 1.657 56.486 54.840 -0.017 0.000 0.770 319 L CB -0.462 41.592 42.059 -0.009 0.000 0.914 319 L HN 0.352 nan 8.230 nan 0.000 0.439 320 L N -0.377 120.831 121.223 -0.025 0.000 2.141 320 L HA 0.015 4.356 4.340 0.000 0.000 0.209 320 L C 2.348 179.209 176.870 -0.015 0.000 1.094 320 L CA 1.723 56.551 54.840 -0.020 0.000 0.763 320 L CB -0.615 41.426 42.059 -0.030 0.000 0.908 320 L HN 0.250 nan 8.230 nan 0.000 0.437 321 A N -1.295 121.515 122.820 -0.017 0.000 2.016 321 A HA -0.103 4.217 4.320 0.000 0.000 0.217 321 A C 2.235 179.815 177.584 -0.008 0.000 1.162 321 A CA 1.423 53.453 52.037 -0.012 0.000 0.662 321 A CB -1.060 17.932 19.000 -0.014 0.000 0.812 321 A HN 0.566 nan 8.150 nan 0.000 0.450 322 T N -2.684 111.866 114.554 -0.008 0.000 3.035 322 T HA -0.062 4.288 4.350 0.000 0.000 0.268 322 T C 1.359 176.057 174.700 -0.003 0.000 1.109 322 T CA 1.174 63.271 62.100 -0.006 0.000 1.119 322 T CB -0.084 68.779 68.868 -0.008 0.000 0.900 322 T HN 0.417 nan 8.240 nan 0.000 0.503 323 Q N 0.504 120.302 119.800 -0.003 0.000 2.247 323 Q HA 0.489 4.829 4.340 0.000 0.000 0.211 323 Q C 0.597 176.598 176.000 0.001 0.000 0.861 323 Q CA -0.005 55.798 55.803 0.000 0.000 0.949 323 Q CB 0.675 29.414 28.738 0.001 0.000 1.115 323 Q HN 0.673 nan 8.270 nan 0.000 0.507 324 A N 1.564 124.383 122.820 -0.001 0.000 2.328 324 A HA 0.286 4.606 4.320 0.000 0.000 0.284 324 A C 0.198 177.783 177.584 0.001 0.000 1.160 324 A CA -0.361 51.676 52.037 -0.000 0.000 0.818 324 A CB 0.516 19.515 19.000 -0.003 0.000 1.087 324 A HN 0.010 nan 8.150 nan 0.000 0.504 325 Q N 1.079 120.881 119.800 0.002 0.000 2.296 325 Q HA 0.457 4.797 4.340 0.000 0.000 0.262 325 Q C 0.718 176.719 176.000 0.002 0.000 0.981 325 Q CA 1.303 57.108 55.803 0.003 0.000 0.905 325 Q CB 1.143 29.883 28.738 0.004 0.000 1.186 325 Q HN 1.472 nan 8.270 nan 0.000 0.399 326 G N 1.001 109.802 108.800 0.002 0.000 2.428 326 G HA2 -0.166 3.794 3.960 0.000 0.000 0.202 326 G HA3 -0.166 3.794 3.960 0.000 0.000 0.202 326 G C -1.268 173.632 174.900 0.001 0.000 1.247 326 G CA -0.682 44.419 45.100 0.001 0.000 1.020 326 G HN 0.462 nan 8.290 nan 0.000 0.529 327 V N 1.143 121.057 119.914 -0.000 0.000 2.448 327 V HA 0.709 4.829 4.120 0.000 0.000 0.295 327 V C 0.624 176.716 176.094 -0.002 0.000 1.025 327 V CA 0.266 62.565 62.300 -0.001 0.000 0.859 327 V CB 1.357 33.180 31.823 -0.000 0.000 0.988 327 V HN 1.557 nan 8.190 nan 0.000 0.431 328 T N 3.047 117.599 114.554 -0.003 0.000 2.771 328 T HA 0.733 5.083 4.350 0.000 0.000 0.281 328 T C -0.760 173.936 174.700 -0.006 0.000 0.982 328 T CA -0.527 61.570 62.100 -0.005 0.000 0.978 328 T CB 1.353 70.216 68.868 -0.008 0.000 0.930 328 T HN 0.329 nan 8.240 nan 0.000 0.447 329 V N 5.448 125.358 119.914 -0.006 0.000 2.459 329 V HA 0.518 4.638 4.120 0.000 0.000 0.295 329 V C -0.067 176.023 176.094 -0.007 0.000 1.029 329 V CA -0.924 61.373 62.300 -0.005 0.000 0.874 329 V CB 1.350 33.171 31.823 -0.004 0.000 0.985 329 V HN 0.907 nan 8.190 nan 0.000 0.438 330 I N 4.953 125.518 120.570 -0.007 0.000 2.339 330 I HA 0.483 4.653 4.170 0.000 0.000 0.290 330 I C 0.106 176.219 176.117 -0.006 0.000 0.994 330 I CA -0.053 61.242 61.300 -0.008 0.000 1.191 330 I CB 1.214 39.208 38.000 -0.011 0.000 1.343 330 I HN 0.559 nan 8.210 nan 0.000 0.458 331 K N 4.160 124.557 120.400 -0.005 0.000 2.350 331 K HA 0.427 4.747 4.320 0.000 0.000 0.241 331 K C -0.640 175.958 176.600 -0.003 0.000 0.994 331 K CA -0.782 55.503 56.287 -0.003 0.000 0.839 331 K CB 1.280 33.779 32.500 -0.003 0.000 1.244 331 K HN 0.530 nan 8.250 nan 0.000 0.443 332 D N -0.157 120.243 120.400 -0.001 0.000 2.723 332 D HA -0.198 4.442 4.640 0.000 0.000 0.236 332 D C -1.102 175.199 176.300 0.001 0.000 1.138 332 D CA 0.874 54.874 54.000 0.001 0.000 0.676 332 D CB -0.975 39.827 40.800 0.002 0.000 1.069 332 D HN 0.519 nan 8.370 nan 0.000 0.430 333 A N 1.575 124.395 122.820 -0.001 0.000 2.310 333 A HA 0.510 4.830 4.320 0.000 0.000 0.304 333 A C 0.514 178.098 177.584 -0.000 0.000 1.231 333 A CA -0.575 51.461 52.037 -0.001 0.000 0.799 333 A CB 0.966 19.964 19.000 -0.004 0.000 1.162 333 A HN 0.196 nan 8.150 nan 0.000 0.486 334 E N 2.864 123.065 120.200 0.001 0.000 3.711 334 E HA 0.162 4.512 4.350 0.000 0.000 0.267 334 E C -1.070 175.532 176.600 0.004 0.000 1.198 334 E CA -0.399 56.002 56.400 0.002 0.000 1.150 334 E CB 0.199 29.900 29.700 0.002 0.000 1.297 334 E HN 0.540 nan 8.360 nan 0.000 0.399 335 E N 0.692 120.894 120.200 0.003 0.000 2.244 335 E HA 0.189 4.539 4.350 0.000 0.000 0.196 335 E C 1.601 178.202 176.600 0.002 0.000 0.939 335 E CA 0.266 56.668 56.400 0.004 0.000 0.884 335 E CB 0.484 30.187 29.700 0.005 0.000 0.850 335 E HN 0.393 nan 8.360 nan 0.000 0.481 336 L N -0.901 120.322 121.223 -0.001 0.000 4.894 336 L HA -0.418 3.922 4.340 0.000 0.000 0.391 336 L C 1.440 178.308 176.870 -0.003 0.000 0.780 336 L CA 2.093 56.931 54.840 -0.003 0.000 2.289 336 L CB -1.061 40.997 42.059 -0.003 0.000 1.102 336 L HN 0.220 nan 8.230 nan 0.000 0.635 337 K N -2.546 117.854 120.400 -0.001 0.000 2.828 337 K HA 0.313 4.633 4.320 0.000 0.000 0.299 337 K C 0.196 176.799 176.600 0.005 0.000 2.714 337 K CA 0.725 57.012 56.287 -0.000 0.000 1.435 337 K CB -0.249 32.251 32.500 0.000 0.000 3.131 337 K HN -0.089 nan 8.250 nan 0.000 0.496 338 V N -0.018 119.902 119.914 0.010 0.000 3.283 338 V HA 0.513 4.633 4.120 0.000 0.000 0.265 338 V C -1.393 174.711 176.094 0.017 0.000 1.672 338 V CA 0.250 62.560 62.300 0.018 0.000 1.020 338 V CB 0.441 32.279 31.823 0.026 0.000 0.854 338 V HN 0.370 nan 8.190 nan 0.000 0.408 339 K N 2.511 122.918 120.400 0.012 0.000 3.088 339 K HA 0.283 4.603 4.320 0.000 0.000 0.193 339 K C -0.174 176.429 176.600 0.004 0.000 1.176 339 K CA 0.390 56.683 56.287 0.010 0.000 0.907 339 K CB 0.777 33.284 32.500 0.012 0.000 1.139 339 K HN 0.511 nan 8.250 nan 0.000 0.597 340 E N 0.353 120.555 120.200 0.003 0.000 2.360 340 E HA -0.323 4.027 4.350 0.000 0.000 0.238 340 E C -0.070 176.527 176.600 -0.005 0.000 1.186 340 E CA 1.669 58.068 56.400 -0.001 0.000 0.719 340 E CB -2.310 27.389 29.700 -0.002 0.000 1.236 340 E HN 0.722 nan 8.360 nan 0.000 0.386 341 T N -5.310 109.241 114.554 -0.006 0.000 3.597 341 T HA -0.080 4.270 4.350 0.000 0.000 0.276 341 T C 0.794 175.487 174.700 -0.012 0.000 0.904 341 T CA 0.382 62.477 62.100 -0.009 0.000 0.750 341 T CB -0.868 67.993 68.868 -0.012 0.000 1.177 341 T HN 0.071 nan 8.240 nan 0.000 0.864 342 D N 2.082 122.474 120.400 -0.015 0.000 2.095 342 D HA 0.019 4.659 4.640 0.000 0.000 0.192 342 D C 2.125 178.421 176.300 -0.006 0.000 0.990 342 D CA 1.733 55.722 54.000 -0.018 0.000 0.836 342 D CB -0.226 40.561 40.800 -0.022 0.000 0.979 342 D HN 0.395 nan 8.370 nan 0.000 0.447 343 R N 0.138 120.637 120.500 -0.001 0.000 2.191 343 R HA -0.267 4.074 4.340 0.000 0.000 0.248 343 R C 2.276 178.577 176.300 0.002 0.000 1.127 343 R CA 1.798 57.899 56.100 0.001 0.000 0.943 343 R CB -0.666 29.630 30.300 -0.007 0.000 0.891 343 R HN 0.220 nan 8.270 nan 0.000 0.439 344 I N -0.108 120.461 120.570 -0.002 0.000 2.208 344 I HA -0.300 3.870 4.170 0.000 0.000 0.245 344 I C 2.654 178.773 176.117 0.003 0.000 1.097 344 I CA 1.504 62.803 61.300 -0.002 0.000 1.363 344 I CB -0.293 37.705 38.000 -0.004 0.000 1.051 344 I HN 0.304 nan 8.210 nan 0.000 0.413 345 Q N 0.346 120.148 119.800 0.004 0.000 2.079 345 Q HA -0.150 4.190 4.340 0.000 0.000 0.200 345 Q C 2.262 178.275 176.000 0.021 0.000 0.974 345 Q CA 1.933 57.740 55.803 0.008 0.000 0.840 345 Q CB -0.434 28.304 28.738 -0.000 0.000 0.898 345 Q HN 0.445 nan 8.270 nan 0.000 0.430 346 V N -0.881 119.052 119.914 0.031 0.000 2.427 346 V HA -0.129 3.991 4.120 0.000 0.000 0.248 346 V C 1.903 178.028 176.094 0.051 0.000 1.051 346 V CA 1.727 64.066 62.300 0.064 0.000 1.048 346 V CB -0.300 31.586 31.823 0.106 0.000 0.666 346 V HN 0.258 nan 8.190 nan 0.000 0.456 347 V N 0.916 120.847 119.914 0.030 0.000 2.343 347 V HA -0.190 3.930 4.120 0.000 0.000 0.247 347 V C 2.978 179.080 176.094 0.013 0.000 1.051 347 V CA 2.270 64.579 62.300 0.016 0.000 1.036 347 V CB -1.248 30.577 31.823 0.003 0.000 0.654 347 V HN 0.694 nan 8.190 nan 0.000 0.451 348 A N -0.429 122.399 122.820 0.013 0.000 1.898 348 A HA -0.227 4.093 4.320 0.000 0.000 0.216 348 A C 2.024 179.618 177.584 0.018 0.000 1.181 348 A CA 1.854 53.898 52.037 0.012 0.000 0.620 348 A CB -0.579 18.427 19.000 0.010 0.000 0.819 348 A HN 0.533 nan 8.150 nan 0.000 0.442 349 D N 0.052 120.468 120.400 0.027 0.000 2.178 349 D HA -0.035 4.605 4.640 0.000 0.000 0.201 349 D C 2.151 178.471 176.300 0.033 0.000 0.980 349 D CA 1.359 55.381 54.000 0.035 0.000 0.842 349 D CB -0.250 40.580 40.800 0.051 0.000 0.948 349 D HN 0.437 nan 8.370 nan 0.000 0.472 350 A N 0.274 123.112 122.820 0.029 0.000 1.929 350 A HA -0.035 4.285 4.320 0.000 0.000 0.216 350 A C 2.296 179.879 177.584 -0.001 0.000 1.176 350 A CA 0.717 52.764 52.037 0.016 0.000 0.628 350 A CB -0.393 18.616 19.000 0.015 0.000 0.816 350 A HN 0.185 nan 8.150 nan 0.000 0.444 351 L N -1.396 119.825 121.223 -0.003 0.000 2.354 351 L HA 0.034 4.374 4.340 0.000 0.000 0.212 351 L C 2.059 178.918 176.870 -0.018 0.000 1.091 351 L CA 0.634 55.464 54.840 -0.018 0.000 0.828 351 L CB -0.314 41.737 42.059 -0.013 0.000 0.973 351 L HN 0.332 nan 8.230 nan 0.000 0.461 352 N N -0.271 118.431 118.700 0.003 0.000 2.244 352 N HA -0.168 4.572 4.740 0.000 0.000 0.183 352 N C 2.000 177.529 175.510 0.032 0.000 1.016 352 N CA 1.414 54.474 53.050 0.017 0.000 0.866 352 N CB 0.074 38.575 38.487 0.023 0.000 0.980 352 N HN 0.260 nan 8.380 nan 0.000 0.430 353 S N -0.177 115.539 115.700 0.026 0.000 2.428 353 S HA -0.037 4.433 4.470 0.000 0.000 0.230 353 S C 1.806 176.410 174.600 0.008 0.000 1.014 353 S CA 0.640 58.869 58.200 0.048 0.000 0.957 353 S CB -0.179 63.046 63.200 0.041 0.000 0.784 353 S HN 0.247 nan 8.310 nan 0.000 0.499 354 M N 0.789 120.332 119.600 -0.095 0.000 2.419 354 M HA 0.166 4.646 4.480 0.000 0.000 0.264 354 M C 1.492 177.476 176.300 -0.527 0.000 1.082 354 M CA 1.039 56.163 55.300 -0.293 0.000 1.119 354 M CB 0.047 32.544 32.600 -0.171 0.000 1.398 354 M HN 0.684 nan 8.290 nan 0.000 0.453 355 G N 0.152 108.851 108.800 -0.168 0.000 2.148 355 G HA2 0.029 3.989 3.960 0.000 0.000 0.120 355 G HA3 0.029 3.989 3.960 0.000 0.000 0.120 355 G C -0.142 174.768 174.900 0.016 0.000 1.034 355 G CA -0.193 44.908 45.100 0.003 0.000 0.710 355 G HN 0.590 nan 8.290 nan 0.000 0.495 356 A N -0.422 122.397 122.820 -0.003 0.000 2.247 356 A HA 0.770 5.090 4.320 0.000 0.000 0.313 356 A C -0.285 177.308 177.584 0.015 0.000 1.109 356 A CA -0.189 51.850 52.037 0.003 0.000 0.890 356 A CB 1.084 20.079 19.000 -0.010 0.000 1.239 356 A HN 0.177 nan 8.150 nan 0.000 0.506 357 D N 0.743 121.150 120.400 0.011 0.000 2.434 357 D HA 0.477 5.117 4.640 0.000 0.000 0.275 357 D C -1.297 175.007 176.300 0.007 0.000 1.172 357 D CA 0.136 54.144 54.000 0.012 0.000 0.916 357 D CB 0.091 40.899 40.800 0.013 0.000 1.041 357 D HN 0.365 nan 8.370 nan 0.000 0.501 358 I N 1.641 122.215 120.570 0.007 0.000 2.406 358 I HA 0.258 4.428 4.170 0.000 0.000 0.290 358 I C 0.160 176.281 176.117 0.006 0.000 0.999 358 I CA -0.606 60.697 61.300 0.004 0.000 1.124 358 I CB 2.145 40.146 38.000 0.002 0.000 1.289 358 I HN 0.073 nan 8.210 nan 0.000 0.441 359 T N 3.377 117.933 114.554 0.004 0.000 2.809 359 T HA 0.514 4.864 4.350 0.000 0.000 0.296 359 T C -2.725 171.977 174.700 0.002 0.000 1.015 359 T CA -2.337 59.766 62.100 0.004 0.000 0.954 359 T CB 1.147 70.018 68.868 0.004 0.000 0.950 359 T HN 0.129 nan 8.240 nan 0.000 0.450 360 P HA 0.319 nan 4.420 nan 0.000 0.276 360 P C 0.250 177.551 177.300 0.000 0.000 1.235 360 P CA -0.131 62.970 63.100 0.001 0.000 0.772 360 P CB 0.727 32.428 31.700 0.001 0.000 0.871 361 T N -0.798 113.755 114.554 -0.001 0.000 2.804 361 T HA 0.601 4.951 4.350 0.000 0.000 0.272 361 T C 1.241 175.940 174.700 -0.001 0.000 0.986 361 T CA -0.442 61.658 62.100 -0.001 0.000 0.999 361 T CB 0.805 69.672 68.868 -0.001 0.000 1.307 361 T HN 0.155 nan 8.240 nan 0.000 0.586 362 A N 0.488 123.308 122.820 -0.001 0.000 2.066 362 A HA 0.056 4.376 4.320 0.000 0.000 0.218 362 A C 1.477 179.060 177.584 -0.002 0.000 1.157 362 A CA 1.458 53.494 52.037 -0.001 0.000 0.670 362 A CB -0.677 18.322 19.000 -0.001 0.000 0.804 362 A HN 0.909 nan 8.150 nan 0.000 0.453 363 D N -3.060 117.339 120.400 -0.002 0.000 2.563 363 D HA 0.414 5.054 4.640 0.000 0.000 0.237 363 D C 0.625 176.924 176.300 -0.003 0.000 1.282 363 D CA 0.813 54.812 54.000 -0.002 0.000 0.816 363 D CB 0.018 40.817 40.800 -0.001 0.000 1.066 363 D HN 0.476 nan 8.370 nan 0.000 0.501 364 G N 0.571 109.369 108.800 -0.003 0.000 2.534 364 G HA2 0.357 4.317 3.960 0.000 0.000 0.142 364 G HA3 0.357 4.317 3.960 0.000 0.000 0.142 364 G C -1.391 173.506 174.900 -0.004 0.000 1.178 364 G CA -0.109 44.988 45.100 -0.004 0.000 1.037 364 G HN 0.385 nan 8.290 nan 0.000 0.474 365 M N -0.961 118.636 119.600 -0.005 0.000 2.578 365 M HA 0.829 5.310 4.480 0.000 0.000 0.276 365 M C -1.967 174.331 176.300 -0.004 0.000 1.245 365 M CA -0.892 54.405 55.300 -0.004 0.000 0.871 365 M CB 2.318 34.916 32.600 -0.005 0.000 1.722 365 M HN 0.391 nan 8.290 nan 0.000 0.473 366 I N 2.532 123.101 120.570 -0.002 0.000 2.389 366 I HA 0.500 4.670 4.170 0.000 0.000 0.288 366 I C -1.233 174.883 176.117 -0.001 0.000 0.999 366 I CA -0.567 60.732 61.300 -0.002 0.000 1.129 366 I CB 2.030 40.029 38.000 -0.001 0.000 1.288 366 I HN 0.580 nan 8.210 nan 0.000 0.444 367 I N 6.372 126.941 120.570 -0.002 0.000 2.441 367 I HA 0.403 4.573 4.170 0.000 0.000 0.295 367 I C -0.239 175.878 176.117 -0.000 0.000 0.994 367 I CA -0.484 60.815 61.300 -0.002 0.000 1.144 367 I CB 1.475 39.472 38.000 -0.005 0.000 1.314 367 I HN 0.359 nan 8.210 nan 0.000 0.445 368 K N 3.887 124.288 120.400 0.002 0.000 2.394 368 K HA 0.721 5.041 4.320 0.000 0.000 0.260 368 K C 0.034 176.637 176.600 0.005 0.000 0.967 368 K CA -0.097 56.192 56.287 0.004 0.000 0.855 368 K CB 1.517 34.020 32.500 0.005 0.000 1.101 368 K HN 0.857 nan 8.250 nan 0.000 0.433 369 G N 2.432 111.234 108.800 0.004 0.000 2.804 369 G HA2 -0.295 3.665 3.960 0.000 0.000 0.230 369 G HA3 -0.295 3.665 3.960 0.000 0.000 0.230 369 G C -0.952 173.951 174.900 0.005 0.000 1.386 369 G CA -0.603 44.500 45.100 0.005 0.000 0.875 369 G HN 0.555 nan 8.290 nan 0.000 0.557 370 K N 0.471 120.875 120.400 0.006 0.000 2.262 370 K HA 0.530 4.850 4.320 0.000 0.000 0.282 370 K C 0.342 176.948 176.600 0.010 0.000 1.066 370 K CA 0.199 56.490 56.287 0.006 0.000 0.901 370 K CB 0.234 32.738 32.500 0.007 0.000 1.089 370 K HN 0.857 nan 8.250 nan 0.000 0.476 371 S N 2.131 117.836 115.700 0.009 0.000 2.472 371 S HA 0.601 5.071 4.470 0.000 0.000 0.303 371 S C -0.417 174.190 174.600 0.011 0.000 1.099 371 S CA -1.132 57.077 58.200 0.014 0.000 1.077 371 S CB 1.894 65.102 63.200 0.013 0.000 1.031 371 S HN 0.588 nan 8.310 nan 0.000 0.487 372 A N 3.662 126.496 122.820 0.024 0.000 2.320 372 A HA 0.606 4.926 4.320 0.000 0.000 0.287 372 A C -0.064 177.533 177.584 0.022 0.000 1.181 372 A CA -0.758 51.293 52.037 0.024 0.000 0.831 372 A CB -0.168 18.854 19.000 0.036 0.000 1.102 372 A HN 0.885 nan 8.150 nan 0.000 0.513 373 L N 2.829 124.040 121.223 -0.019 0.000 2.326 373 L HA 0.372 4.712 4.340 0.000 0.000 0.278 373 L C 1.090 177.920 176.870 -0.066 0.000 1.092 373 L CA -0.469 54.308 54.840 -0.105 0.000 0.810 373 L CB 0.925 42.920 42.059 -0.106 0.000 1.153 373 L HN 1.050 nan 8.230 nan 0.000 0.439 374 H N -0.076 118.998 119.070 0.007 0.000 2.615 374 H HA 0.529 5.085 4.556 0.000 0.000 0.275 374 H C 0.476 175.808 175.328 0.007 0.000 0.981 374 H CA -0.054 55.998 56.048 0.006 0.000 1.252 374 H CB 0.648 30.413 29.762 0.006 0.000 1.447 374 H HN 0.642 nan 8.280 nan 0.000 0.498 375 G N -0.348 108.401 108.800 -0.086 0.000 2.634 375 G HA2 0.478 4.438 3.960 0.000 0.000 0.568 375 G HA3 0.478 4.438 3.960 0.000 0.000 0.568 375 G C -0.993 173.939 174.900 0.055 0.000 1.495 375 G CA -0.444 44.667 45.100 0.020 0.000 0.903 375 G HN 0.904 nan 8.290 nan 0.000 0.646 376 A N 1.551 124.373 122.820 0.004 0.000 2.583 376 A HA 0.985 5.305 4.320 0.000 0.000 0.289 376 A C -0.553 177.039 177.584 0.013 0.000 1.151 376 A CA -0.962 51.090 52.037 0.024 0.000 0.695 376 A CB 1.559 20.557 19.000 -0.003 0.000 1.290 376 A HN 1.017 nan 8.150 nan 0.000 0.419 377 R N -0.063 120.446 120.500 0.015 0.000 2.275 377 R HA 0.568 4.908 4.340 0.000 0.000 0.326 377 R C -1.300 174.993 176.300 -0.011 0.000 0.973 377 R CA -0.152 55.948 56.100 0.001 0.000 0.854 377 R CB 1.476 31.779 30.300 0.005 0.000 1.156 377 R HN 0.403 nan 8.270 nan 0.000 0.487 378 V N 3.190 123.088 119.914 -0.027 0.000 2.459 378 V HA 0.374 4.494 4.120 0.000 0.000 0.295 378 V C -0.206 175.828 176.094 -0.099 0.000 1.029 378 V CA -0.938 61.335 62.300 -0.045 0.000 0.874 378 V CB 1.739 33.543 31.823 -0.032 0.000 0.985 378 V HN 0.660 nan 8.190 nan 0.000 0.438 379 N N 2.689 121.285 118.700 -0.174 0.000 2.408 379 N HA 0.317 5.057 4.740 0.000 0.000 0.280 379 N C -0.265 174.954 175.510 -0.483 0.000 1.002 379 N CA -0.265 52.571 53.050 -0.356 0.000 0.907 379 N CB 2.066 40.247 38.487 -0.511 0.000 1.161 379 N HN 0.831 nan 8.380 nan 0.000 0.488 380 T N 1.199 115.531 114.554 -0.370 0.000 2.771 380 T HA 0.373 4.723 4.350 0.000 0.000 0.291 380 T C 0.356 174.855 174.700 -0.334 0.000 0.954 380 T CA -0.425 61.519 62.100 -0.261 0.000 1.045 380 T CB -0.220 68.581 68.868 -0.111 0.000 0.917 380 T HN 0.293 nan 8.240 nan 0.000 0.484 381 F N 2.437 122.389 119.950 0.004 0.000 2.894 381 F HA 0.475 5.002 4.527 0.000 0.000 0.310 381 F C 1.720 177.527 175.800 0.012 0.000 1.204 381 F CA -0.365 57.639 58.000 0.007 0.000 1.290 381 F CB -0.192 38.811 39.000 0.004 0.000 1.317 381 F HN 1.071 nan 8.300 nan 0.000 0.545 382 G N 0.564 109.432 108.800 0.114 0.000 2.141 382 G HA2 -0.241 3.719 3.960 0.000 0.000 0.242 382 G HA3 -0.241 3.719 3.960 0.000 0.000 0.242 382 G C -0.492 174.465 174.900 0.095 0.000 0.982 382 G CA 0.097 45.255 45.100 0.096 0.000 0.662 382 G HN 0.505 nan 8.290 nan 0.000 0.527 383 D N -0.969 119.478 120.400 0.079 0.000 2.457 383 D HA 0.437 5.077 4.640 0.000 0.000 0.240 383 D C 1.128 177.441 176.300 0.021 0.000 1.041 383 D CA -0.347 53.693 54.000 0.065 0.000 0.861 383 D CB 0.478 41.285 40.800 0.013 0.000 1.394 383 D HN 0.344 nan 8.370 nan 0.000 0.473 384 H N 1.559 120.615 119.070 -0.022 0.000 2.482 384 H HA 0.166 4.722 4.556 0.000 0.000 0.286 384 H C 1.260 176.515 175.328 -0.121 0.000 1.017 384 H CA 0.208 56.202 56.048 -0.091 0.000 1.322 384 H CB 0.081 29.789 29.762 -0.090 0.000 1.426 384 H HN 0.334 nan 8.280 nan 0.000 0.546 385 R N 0.201 120.408 120.500 -0.489 0.000 2.096 385 R HA -0.002 4.338 4.340 0.000 0.000 0.235 385 R C 2.263 178.548 176.300 -0.026 0.000 1.127 385 R CA 1.473 57.469 56.100 -0.173 0.000 0.968 385 R CB -0.054 30.119 30.300 -0.211 0.000 0.861 385 R HN 0.234 nan 8.270 nan 0.000 0.440 386 I N -0.607 119.918 120.570 -0.075 0.000 2.406 386 I HA -0.070 4.100 4.170 0.000 0.000 0.249 386 I C 2.354 178.428 176.117 -0.071 0.000 1.122 386 I CA 1.143 62.420 61.300 -0.037 0.000 1.431 386 I CB -0.277 37.712 38.000 -0.018 0.000 1.087 386 I HN 0.235 nan 8.210 nan 0.000 0.424 387 G N 0.152 108.882 108.800 -0.118 0.000 2.418 387 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 387 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 387 G C 1.726 176.472 174.900 -0.256 0.000 1.158 387 G CA 0.634 45.654 45.100 -0.133 0.000 0.771 387 G HN 0.235 nan 8.290 nan 0.000 0.545 388 M N -0.253 119.022 119.600 -0.541 0.000 2.349 388 M HA 0.178 4.658 4.480 0.000 0.000 0.266 388 M C 2.524 178.570 176.300 -0.423 0.000 1.076 388 M CA 0.674 55.366 55.300 -1.013 0.000 1.126 388 M CB -0.138 31.165 32.600 -2.161 0.000 1.392 388 M HN 0.227 nan 8.290 nan 0.000 0.440 389 M N -0.015 119.536 119.600 -0.080 0.000 2.132 389 M HA -0.148 4.332 4.480 0.000 0.000 0.263 389 M C 1.605 177.928 176.300 0.038 0.000 1.065 389 M CA 1.730 57.102 55.300 0.119 0.000 1.122 389 M CB -0.421 32.256 32.600 0.128 0.000 1.365 389 M HN 0.183 nan 8.290 nan 0.000 0.411 390 T N 0.873 115.426 114.554 -0.002 0.000 2.904 390 T HA 0.023 4.373 4.350 0.000 0.000 0.267 390 T C 1.817 176.536 174.700 0.033 0.000 1.059 390 T CA 1.241 63.347 62.100 0.009 0.000 1.137 390 T CB -0.407 68.461 68.868 0.000 0.000 0.879 390 T HN 0.541 nan 8.240 nan 0.000 0.467 391 A N 1.658 124.504 122.820 0.044 0.000 1.933 391 A HA -0.008 4.312 4.320 0.000 0.000 0.218 391 A C 2.166 179.797 177.584 0.079 0.000 1.175 391 A CA 0.982 53.080 52.037 0.102 0.000 0.628 391 A CB -0.524 18.576 19.000 0.167 0.000 0.814 391 A HN 0.387 nan 8.150 nan 0.000 0.444 392 I N -0.226 120.387 120.570 0.071 0.000 2.353 392 I HA -0.131 4.039 4.170 0.000 0.000 0.248 392 I C 2.805 178.950 176.117 0.047 0.000 1.119 392 I CA 1.264 62.604 61.300 0.067 0.000 1.417 392 I CB -1.564 36.491 38.000 0.091 0.000 1.078 392 I HN 0.344 nan 8.210 nan 0.000 0.421 393 A N 0.851 123.692 122.820 0.036 0.000 2.015 393 A HA 0.015 4.335 4.320 0.000 0.000 0.219 393 A C 2.509 180.097 177.584 0.007 0.000 1.163 393 A CA 1.471 53.517 52.037 0.014 0.000 0.646 393 A CB -0.498 18.504 19.000 0.003 0.000 0.806 393 A HN 0.379 nan 8.150 nan 0.000 0.448 394 A N 0.042 122.875 122.820 0.020 0.000 2.014 394 A HA 0.064 4.384 4.320 0.000 0.000 0.218 394 A C 1.962 179.556 177.584 0.016 0.000 1.163 394 A CA 1.198 53.247 52.037 0.019 0.000 0.652 394 A CB -0.580 18.444 19.000 0.040 0.000 0.808 394 A HN 0.503 nan 8.150 nan 0.000 0.449 395 L N -0.874 120.362 121.223 0.020 0.000 2.353 395 L HA -0.089 4.251 4.340 0.000 0.000 0.220 395 L C 1.959 178.828 176.870 -0.002 0.000 1.133 395 L CA 0.608 55.453 54.840 0.010 0.000 0.798 395 L CB -0.527 41.542 42.059 0.017 0.000 0.922 395 L HN 0.308 nan 8.230 nan 0.000 0.445 396 L N -0.976 120.247 121.223 -0.000 0.000 2.446 396 L HA 0.073 4.413 4.340 0.000 0.000 0.219 396 L C 0.737 177.603 176.870 -0.006 0.000 1.116 396 L CA -0.279 54.559 54.840 -0.004 0.000 0.844 396 L CB 0.071 42.128 42.059 -0.004 0.000 0.970 396 L HN -0.053 nan 8.230 nan 0.000 0.457 397 V N 1.433 121.343 119.914 -0.007 0.000 2.425 397 V HA -0.016 4.104 4.120 0.000 0.000 0.276 397 V C 1.392 177.488 176.094 0.004 0.000 1.017 397 V CA 0.570 62.868 62.300 -0.003 0.000 1.062 397 V CB 0.579 32.399 31.823 -0.004 0.000 0.997 397 V HN 0.317 nan 8.190 nan 0.000 0.476 398 A N 4.180 127.006 122.820 0.011 0.000 1.898 398 A HA 0.013 4.333 4.320 0.000 0.000 0.214 398 A C 1.016 178.608 177.584 0.013 0.000 1.183 398 A CA 1.099 53.141 52.037 0.009 0.000 0.622 398 A CB -0.033 18.974 19.000 0.012 0.000 0.824 398 A HN 0.773 nan 8.150 nan 0.000 0.444 399 D N -2.173 118.242 120.400 0.025 0.000 2.386 399 D HA 0.509 5.149 4.640 0.000 0.000 0.247 399 D C -0.249 176.075 176.300 0.041 0.000 1.336 399 D CA 0.944 54.960 54.000 0.027 0.000 0.976 399 D CB 0.821 41.635 40.800 0.024 0.000 1.257 399 D HN 0.555 nan 8.370 nan 0.000 0.570 400 G N 1.904 110.725 108.800 0.034 0.000 2.327 400 G HA2 0.319 4.279 3.960 0.000 0.000 0.291 400 G HA3 0.319 4.279 3.960 0.000 0.000 0.291 400 G C -1.593 173.325 174.900 0.030 0.000 1.290 400 G CA -0.819 44.306 45.100 0.043 0.000 0.857 400 G HN 0.288 nan 8.290 nan 0.000 0.520 401 E N -0.977 119.242 120.200 0.032 0.000 2.275 401 E HA 0.564 4.914 4.350 0.000 0.000 0.270 401 E C -1.210 175.403 176.600 0.021 0.000 0.882 401 E CA -0.678 55.735 56.400 0.022 0.000 0.758 401 E CB 2.668 32.379 29.700 0.019 0.000 1.195 401 E HN 0.379 nan 8.360 nan 0.000 0.419 402 V N 3.159 123.083 119.914 0.016 0.000 2.384 402 V HA 0.312 4.432 4.120 0.000 0.000 0.287 402 V C -0.325 175.777 176.094 0.012 0.000 1.020 402 V CA -0.740 61.567 62.300 0.013 0.000 0.850 402 V CB 1.453 33.283 31.823 0.013 0.000 0.987 402 V HN 0.646 nan 8.190 nan 0.000 0.436 403 E N 4.014 124.217 120.200 0.005 0.000 2.151 403 E HA 0.624 4.974 4.350 0.000 0.000 0.275 403 E C -1.408 175.186 176.600 -0.010 0.000 0.936 403 E CA -0.525 55.874 56.400 -0.003 0.000 0.777 403 E CB 1.700 31.396 29.700 -0.007 0.000 1.108 403 E HN 0.583 nan 8.360 nan 0.000 0.401 404 L N 4.947 126.164 121.223 -0.010 0.000 2.319 404 L HA 0.431 4.771 4.340 0.000 0.000 0.281 404 L C -1.297 175.551 176.870 -0.037 0.000 1.005 404 L CA -0.387 54.443 54.840 -0.017 0.000 0.828 404 L CB 1.430 43.503 42.059 0.024 0.000 1.227 404 L HN 0.576 nan 8.230 nan 0.000 0.415 405 D N 5.138 125.497 120.400 -0.069 0.000 2.256 405 D HA 0.254 4.894 4.640 0.000 0.000 0.250 405 D C 0.078 176.327 176.300 -0.085 0.000 1.093 405 D CA -0.314 53.638 54.000 -0.080 0.000 0.882 405 D CB 1.274 42.009 40.800 -0.108 0.000 1.185 405 D HN 0.471 nan 8.370 nan 0.000 0.437 406 R N 1.067 121.532 120.500 -0.058 0.000 3.209 406 R HA -0.244 4.096 4.340 0.000 0.000 0.252 406 R C 0.364 176.655 176.300 -0.016 0.000 0.958 406 R CA 0.356 56.433 56.100 -0.039 0.000 0.651 406 R CB -1.356 28.914 30.300 -0.050 0.000 1.142 406 R HN 0.588 nan 8.270 nan 0.000 0.441 407 A N 0.465 123.286 122.820 0.001 0.000 2.235 407 A HA -0.066 4.254 4.320 0.000 0.000 0.208 407 A C 1.430 179.065 177.584 0.086 0.000 1.172 407 A CA 1.050 53.123 52.037 0.059 0.000 0.786 407 A CB -0.010 19.029 19.000 0.064 0.000 0.804 407 A HN 0.627 nan 8.150 nan 0.000 0.479 408 E N 0.025 120.250 120.200 0.042 0.000 2.418 408 E HA 0.081 4.431 4.350 0.000 0.000 0.197 408 E C 1.854 178.487 176.600 0.055 0.000 1.026 408 E CA 0.764 57.194 56.400 0.049 0.000 0.862 408 E CB -0.262 29.453 29.700 0.025 0.000 0.799 408 E HN 0.589 nan 8.360 nan 0.000 0.518 409 A N 0.463 123.313 122.820 0.049 0.000 2.119 409 A HA -0.068 4.252 4.320 0.000 0.000 0.217 409 A C 1.962 179.584 177.584 0.064 0.000 1.153 409 A CA 0.609 52.679 52.037 0.054 0.000 0.692 409 A CB -0.433 18.596 19.000 0.049 0.000 0.799 409 A HN 0.209 nan 8.150 nan 0.000 0.458 410 I N 0.255 120.855 120.570 0.050 0.000 2.676 410 I HA -0.184 3.986 4.170 0.000 0.000 0.259 410 I C 1.484 177.615 176.117 0.023 0.000 1.194 410 I CA 0.535 61.834 61.300 -0.002 0.000 1.473 410 I CB -0.265 37.693 38.000 -0.070 0.000 1.096 410 I HN 0.261 nan 8.210 nan 0.000 0.443 411 N N 0.417 119.154 118.700 0.061 0.000 2.573 411 N HA -0.102 4.638 4.740 0.000 0.000 0.187 411 N C 1.623 177.138 175.510 0.008 0.000 1.107 411 N CA 1.322 54.410 53.050 0.063 0.000 0.918 411 N CB -0.283 38.246 38.487 0.070 0.000 0.966 411 N HN 0.413 nan 8.380 nan 0.000 0.448 412 T N -1.537 112.990 114.554 -0.045 0.000 2.915 412 T HA -0.011 4.339 4.350 0.000 0.000 0.269 412 T C 1.953 176.535 174.700 -0.197 0.000 1.071 412 T CA 0.982 63.014 62.100 -0.114 0.000 1.132 412 T CB 0.182 68.970 68.868 -0.133 0.000 0.878 412 T HN 0.120 nan 8.240 nan 0.000 0.479 413 S N -1.374 114.183 115.700 -0.238 0.000 2.818 413 S HA 0.310 4.780 4.470 0.000 0.000 0.251 413 S C -0.403 174.156 174.600 -0.068 0.000 1.083 413 S CA -0.593 57.476 58.200 -0.217 0.000 0.871 413 S CB 0.347 63.323 63.200 -0.373 0.000 0.831 413 S HN 0.544 nan 8.310 nan 0.000 0.470 414 Y N 2.316 122.562 120.300 -0.090 0.000 2.749 414 Y HA 0.362 4.912 4.550 0.000 0.000 0.343 414 Y C -2.413 173.528 175.900 0.069 0.000 1.015 414 Y CA -2.221 55.885 58.100 0.010 0.000 1.270 414 Y CB 1.755 40.210 38.460 -0.008 0.000 1.097 414 Y HN 0.219 nan 8.280 nan 0.000 0.571 415 P HA -0.046 nan 4.420 nan 0.000 0.222 415 P C 0.622 178.105 177.300 0.304 0.000 1.153 415 P CA 1.125 64.374 63.100 0.249 0.000 0.798 415 P CB 0.472 32.266 31.700 0.157 0.000 0.796 416 S N -1.402 114.548 115.700 0.416 0.000 2.552 416 S HA 0.208 4.678 4.470 0.000 0.000 0.246 416 S C 0.803 175.528 174.600 0.208 0.000 1.019 416 S CA -0.553 57.842 58.200 0.325 0.000 1.045 416 S CB -1.165 62.219 63.200 0.307 0.000 0.784 416 S HN 0.078 nan 8.310 nan 0.000 0.453 417 F N 1.275 121.150 119.950 -0.124 0.000 2.113 417 F HA -0.038 4.489 4.527 0.000 0.000 0.297 417 F C 1.326 176.958 175.800 -0.281 0.000 1.103 417 F CA 1.603 59.249 58.000 -0.590 0.000 1.248 417 F CB -0.109 38.432 39.000 -0.766 0.000 0.999 417 F HN 0.295 nan 8.300 nan 0.000 0.475 418 F N 0.475 120.379 119.950 -0.076 0.000 2.407 418 F HA -0.126 4.401 4.527 0.000 0.000 0.299 418 F C 2.121 177.864 175.800 -0.095 0.000 1.097 418 F CA 0.913 58.840 58.000 -0.122 0.000 1.422 418 F CB -0.474 38.533 39.000 0.012 0.000 1.067 418 F HN -0.029 nan 8.300 nan 0.000 0.539 419 D N 0.094 120.559 120.400 0.109 0.000 2.149 419 D HA -0.132 4.508 4.640 0.000 0.000 0.201 419 D C 1.717 177.999 176.300 -0.031 0.000 0.972 419 D CA 1.095 55.126 54.000 0.053 0.000 0.835 419 D CB -0.256 40.590 40.800 0.076 0.000 0.966 419 D HN 0.207 nan 8.370 nan 0.000 0.476 420 D N 0.202 120.541 120.400 -0.101 0.000 2.149 420 D HA -0.035 4.605 4.640 0.000 0.000 0.201 420 D C 2.270 178.354 176.300 -0.359 0.000 0.972 420 D CA 0.084 53.936 54.000 -0.245 0.000 0.835 420 D CB -0.059 40.560 40.800 -0.302 0.000 0.966 420 D HN 0.193 nan 8.370 nan 0.000 0.476 421 L N 0.941 122.000 121.223 -0.274 0.000 2.046 421 L HA -0.138 4.202 4.340 0.000 0.000 0.208 421 L C 2.246 179.074 176.870 -0.069 0.000 1.077 421 L CA 1.136 55.871 54.840 -0.176 0.000 0.747 421 L CB 0.012 41.944 42.059 -0.213 0.000 0.896 421 L HN -0.059 nan 8.230 nan 0.000 0.432 422 E N -0.935 119.260 120.200 -0.009 0.000 2.204 422 E HA -0.195 4.155 4.350 0.000 0.000 0.194 422 E C 2.236 178.895 176.600 0.098 0.000 0.989 422 E CA 1.112 57.563 56.400 0.085 0.000 0.824 422 E CB 0.005 29.753 29.700 0.079 0.000 0.756 422 E HN 0.316 nan 8.360 nan 0.000 0.477 423 S N 0.134 115.830 115.700 -0.006 0.000 2.406 423 S HA -0.011 4.459 4.470 0.000 0.000 0.228 423 S C 1.977 176.570 174.600 -0.012 0.000 1.020 423 S CA 0.400 58.590 58.200 -0.017 0.000 0.965 423 S CB 0.049 63.204 63.200 -0.076 0.000 0.798 423 S HN 0.153 nan 8.310 nan 0.000 0.488 424 L N 0.427 121.608 121.223 -0.070 0.000 2.209 424 L HA 0.104 4.444 4.340 0.000 0.000 0.207 424 L C 2.186 179.076 176.870 0.033 0.000 1.094 424 L CA 0.670 55.473 54.840 -0.062 0.000 0.790 424 L CB -0.413 41.544 42.059 -0.170 0.000 0.932 424 L HN 0.304 nan 8.230 nan 0.000 0.447 425 I N -0.508 120.086 120.570 0.041 0.000 2.179 425 I HA -0.292 3.878 4.170 0.000 0.000 0.242 425 I C 1.959 178.082 176.117 0.010 0.000 1.088 425 I CA 1.490 62.799 61.300 0.015 0.000 1.357 425 I CB -0.224 37.749 38.000 -0.045 0.000 1.051 425 I HN 0.260 nan 8.210 nan 0.000 0.409 426 H N 0.011 119.129 119.070 0.080 0.000 2.539 426 H HA 0.202 4.758 4.556 0.000 0.000 0.267 426 H C 1.231 176.585 175.328 0.043 0.000 0.982 426 H CA 0.210 56.304 56.048 0.075 0.000 1.146 426 H CB -0.246 29.537 29.762 0.035 0.000 1.382 426 H HN 0.248 nan 8.280 nan 0.000 0.577 427 G N 0.000 108.876 108.800 0.127 0.000 5.446 427 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 427 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 427 G CA 0.000 45.140 45.100 0.067 0.000 0.502 427 G HN 0.000 nan 8.290 nan 0.000 0.925