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 2q0e_1_B DATA FIRST_RESID 3 DATA SEQUENCE PSPAVVGRSL VNSFKQFVSK DLHTRHVDAT YRLVLDCVAA VDXXMRLYTF DATA SEQUENCE GSTVVYGVHE KGSDVDFVVL XXXXXXXXXX XXXXXXVAKG LQADILAKLA DATA SEQUENCE RVIRQKHLSW NVEEVXXXXV PVVRVKGGGA VDFDITAYRR NGVRNSALLR DATA SEQUENCE AYFEQNPPCR WLSMSIKRWS KQTGLNASVI GGSITSYGFN LMVVYYLLQR DATA SEQUENCE NHLQFVPPST IDVSRVEPLP PHLPLEEPAD EGLELGTQVL DFLHFFLHEF DATA SEQUENCE DSDKQVISLN RPGITTKEEL DWTKSAEDFA RMNGEKVHYQ WCIEDPYELN DATA SEQUENCE LNVGRNVTPL KRDFLRRHLE KARDTALLTI 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.303 177.300 0.005 0.000 1.155 3 P CA 0.000 63.103 63.100 0.005 0.000 0.800 3 P CB 0.000 31.704 31.700 0.007 0.000 0.726 4 S N 2.111 117.811 115.700 0.001 0.000 2.614 4 S HA 0.478 4.947 4.470 -0.000 0.000 0.265 4 S C -1.432 173.167 174.600 -0.001 0.000 1.303 4 S CA -0.720 57.480 58.200 0.001 0.000 1.000 4 S CB 0.963 64.163 63.200 -0.001 0.000 0.935 4 S HN 0.087 nan 8.310 nan 0.000 0.551 5 P HA -0.057 nan 4.420 nan 0.000 0.216 5 P C 1.492 178.786 177.300 -0.010 0.000 1.150 5 P CA 1.938 65.038 63.100 -0.000 0.000 0.843 5 P CB -0.234 31.470 31.700 0.006 0.000 0.787 6 A N -0.837 121.977 122.820 -0.010 0.000 1.897 6 A HA -0.114 4.206 4.320 -0.000 0.000 0.215 6 A C 2.339 179.911 177.584 -0.020 0.000 1.181 6 A CA 1.529 53.556 52.037 -0.016 0.000 0.620 6 A CB -1.565 17.427 19.000 -0.013 0.000 0.821 6 A HN 0.027 nan 8.150 nan 0.000 0.443 7 V N -0.424 119.481 119.914 -0.015 0.000 2.358 7 V HA -0.201 3.918 4.120 -0.000 0.000 0.246 7 V C 2.581 178.663 176.094 -0.020 0.000 1.047 7 V CA 1.874 64.165 62.300 -0.016 0.000 1.035 7 V CB -0.560 31.257 31.823 -0.011 0.000 0.658 7 V HN 0.364 nan 8.190 nan 0.000 0.452 8 V N 0.786 120.688 119.914 -0.019 0.000 2.295 8 V HA -0.185 3.934 4.120 -0.000 0.000 0.246 8 V C 2.629 178.703 176.094 -0.033 0.000 1.049 8 V CA 2.295 64.581 62.300 -0.024 0.000 1.024 8 V CB -1.371 30.439 31.823 -0.022 0.000 0.648 8 V HN 0.604 nan 8.190 nan 0.000 0.447 9 G N -0.524 108.255 108.800 -0.036 0.000 2.421 9 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 9 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 9 G C 1.731 176.594 174.900 -0.061 0.000 1.171 9 G CA 0.790 45.858 45.100 -0.053 0.000 0.775 9 G HN 0.407 nan 8.290 nan 0.000 0.543 10 R N 0.109 120.580 120.500 -0.049 0.000 2.103 10 R HA -0.095 4.245 4.340 -0.000 0.000 0.242 10 R C 2.933 179.207 176.300 -0.042 0.000 1.142 10 R CA 1.528 57.600 56.100 -0.046 0.000 0.960 10 R CB -0.399 29.881 30.300 -0.034 0.000 0.858 10 R HN 0.432 nan 8.270 nan 0.000 0.439 11 S N 0.546 116.225 115.700 -0.036 0.000 2.368 11 S HA -0.055 4.415 4.470 -0.000 0.000 0.224 11 S C 1.931 176.509 174.600 -0.037 0.000 1.029 11 S CA 0.881 59.060 58.200 -0.035 0.000 0.988 11 S CB -0.060 63.121 63.200 -0.032 0.000 0.838 11 S HN 0.211 nan 8.310 nan 0.000 0.462 12 L N 1.006 122.213 121.223 -0.027 0.000 2.056 12 L HA -0.033 4.306 4.340 -0.000 0.000 0.207 12 L C 2.538 179.452 176.870 0.073 0.000 1.078 12 L CA 0.850 55.702 54.840 0.020 0.000 0.749 12 L CB -0.605 41.476 42.059 0.038 0.000 0.901 12 L HN 0.205 nan 8.230 nan 0.000 0.433 13 V N 0.290 120.181 119.914 -0.040 0.000 2.287 13 V HA -0.293 3.826 4.120 -0.000 0.000 0.248 13 V C 2.219 178.307 176.094 -0.011 0.000 1.053 13 V CA 1.929 64.174 62.300 -0.092 0.000 1.027 13 V CB -0.663 31.071 31.823 -0.147 0.000 0.646 13 V HN 0.518 nan 8.190 nan 0.000 0.447 14 N N 0.621 119.310 118.700 -0.019 0.000 2.244 14 N HA -0.117 4.623 4.740 -0.000 0.000 0.183 14 N C 2.101 177.600 175.510 -0.018 0.000 1.016 14 N CA 1.678 54.719 53.050 -0.013 0.000 0.866 14 N CB -0.371 38.102 38.487 -0.024 0.000 0.980 14 N HN 0.655 nan 8.380 nan 0.000 0.430 15 S N -0.352 115.315 115.700 -0.055 0.000 2.447 15 S HA -0.003 4.467 4.470 -0.000 0.000 0.233 15 S C 1.446 175.908 174.600 -0.231 0.000 1.006 15 S CA 0.510 58.612 58.200 -0.163 0.000 0.957 15 S CB -0.514 62.533 63.200 -0.254 0.000 0.773 15 S HN 0.234 nan 8.310 nan 0.000 0.507 16 F N 1.236 121.172 119.950 -0.024 0.000 2.693 16 F HA 0.417 4.943 4.527 -0.000 0.000 0.303 16 F C 2.042 177.910 175.800 0.113 0.000 1.097 16 F CA -0.475 57.557 58.000 0.055 0.000 1.330 16 F CB 0.261 39.276 39.000 0.026 0.000 1.067 16 F HN -0.012 nan 8.300 nan 0.000 0.565 17 K N 0.443 120.949 120.400 0.176 0.000 2.074 17 K HA -0.269 4.051 4.320 -0.000 0.000 0.209 17 K C 2.010 178.691 176.600 0.136 0.000 1.048 17 K CA 1.391 57.754 56.287 0.127 0.000 0.926 17 K CB -0.476 32.059 32.500 0.058 0.000 0.713 17 K HN 0.322 nan 8.250 nan 0.000 0.444 18 Q N -0.271 119.607 119.800 0.131 0.000 2.124 18 Q HA -0.125 4.214 4.340 -0.000 0.000 0.202 18 Q C 1.957 178.064 176.000 0.179 0.000 0.977 18 Q CA 1.509 57.383 55.803 0.119 0.000 0.850 18 Q CB -0.254 28.539 28.738 0.092 0.000 0.901 18 Q HN 0.299 nan 8.270 nan 0.000 0.429 19 F N -0.912 119.121 119.950 0.139 0.000 2.118 19 F HA -0.109 4.418 4.527 -0.001 0.000 0.293 19 F C 1.840 177.741 175.800 0.169 0.000 1.102 19 F CA 1.081 59.189 58.000 0.180 0.000 1.247 19 F CB -0.264 38.949 39.000 0.356 0.000 1.017 19 F HN -0.081 nan 8.300 nan 0.000 0.475 20 V N -0.023 120.094 119.914 0.339 0.000 2.278 20 V HA -0.384 3.735 4.120 -0.000 0.000 0.251 20 V C 2.208 178.319 176.094 0.029 0.000 1.062 20 V CA 2.332 64.752 62.300 0.199 0.000 1.038 20 V CB -1.229 30.715 31.823 0.201 0.000 0.646 20 V HN 0.381 nan 8.190 nan 0.000 0.447 21 S N -1.140 114.579 115.700 0.032 0.000 2.595 21 S HA 0.001 4.471 4.470 -0.000 0.000 0.235 21 S C 0.740 175.314 174.600 -0.045 0.000 0.974 21 S CA 0.563 58.764 58.200 0.001 0.000 0.942 21 S CB -0.219 62.992 63.200 0.018 0.000 0.766 21 S HN 0.438 nan 8.310 nan 0.000 0.536 22 K N 1.996 122.326 120.400 -0.117 0.000 2.118 22 K HA 0.272 4.592 4.320 -0.000 0.000 0.254 22 K C -0.641 175.866 176.600 -0.156 0.000 0.961 22 K CA -0.644 55.551 56.287 -0.154 0.000 0.876 22 K CB 0.953 33.315 32.500 -0.230 0.000 1.077 22 K HN 0.019 nan 8.250 nan 0.000 0.440 23 D N 2.053 122.388 120.400 -0.109 0.000 2.325 23 D HA 0.061 4.700 4.640 -0.000 0.000 0.251 23 D C 0.062 176.306 176.300 -0.093 0.000 1.196 23 D CA -0.295 53.663 54.000 -0.071 0.000 0.866 23 D CB 0.455 41.236 40.800 -0.031 0.000 1.101 23 D HN 0.086 nan 8.370 nan 0.000 0.476 24 L N 4.089 125.261 121.223 -0.085 0.000 2.783 24 L HA 0.140 4.480 4.340 -0.000 0.000 0.236 24 L C 0.748 177.601 176.870 -0.028 0.000 1.225 24 L CA -0.105 54.699 54.840 -0.059 0.000 1.026 24 L CB -1.847 40.166 42.059 -0.077 0.000 1.314 24 L HN 0.606 nan 8.230 nan 0.000 0.489 25 H N 0.852 119.766 119.070 -0.260 0.000 2.771 25 H HA 0.057 4.613 4.556 -0.000 0.000 0.364 25 H C 0.820 176.073 175.328 -0.125 0.000 1.133 25 H CA 0.986 56.721 56.048 -0.521 0.000 1.423 25 H CB 1.368 30.887 29.762 -0.405 0.000 1.425 25 H HN 0.199 nan 8.280 nan 0.000 0.606 26 T N 0.623 115.215 114.554 0.063 0.000 3.163 26 T HA 0.156 4.506 4.350 -0.000 0.000 0.252 26 T C 1.666 176.462 174.700 0.160 0.000 1.056 26 T CA -0.338 61.842 62.100 0.133 0.000 0.947 26 T CB 0.207 69.130 68.868 0.091 0.000 1.016 26 T HN 0.485 nan 8.240 nan 0.000 0.554 27 R N 0.547 121.192 120.500 0.242 0.000 2.103 27 R HA -0.137 4.203 4.340 -0.000 0.000 0.242 27 R C 1.976 178.298 176.300 0.037 0.000 1.142 27 R CA 1.905 58.064 56.100 0.098 0.000 0.960 27 R CB -0.421 29.867 30.300 -0.021 0.000 0.858 27 R HN 0.528 nan 8.270 nan 0.000 0.439 28 H N -0.660 118.416 119.070 0.010 0.000 2.428 28 H HA -0.026 4.529 4.556 -0.001 0.000 0.296 28 H C 2.006 177.309 175.328 -0.040 0.000 1.062 28 H CA 1.178 57.224 56.048 -0.004 0.000 1.350 28 H CB 0.052 29.826 29.762 0.019 0.000 1.403 28 H HN -0.068 nan 8.280 nan 0.000 0.533 29 V N 0.767 120.678 119.914 -0.005 0.000 2.427 29 V HA -0.213 3.906 4.120 -0.000 0.000 0.248 29 V C 1.643 177.786 176.094 0.081 0.000 1.051 29 V CA 1.835 64.102 62.300 -0.055 0.000 1.048 29 V CB -0.252 31.449 31.823 -0.203 0.000 0.666 29 V HN 0.482 nan 8.190 nan 0.000 0.456 30 D N 0.924 121.360 120.400 0.061 0.000 2.097 30 D HA -0.145 4.495 4.640 -0.000 0.000 0.195 30 D C 2.247 178.617 176.300 0.116 0.000 0.989 30 D CA 1.735 55.790 54.000 0.092 0.000 0.827 30 D CB -0.386 40.444 40.800 0.049 0.000 0.966 30 D HN 0.453 nan 8.370 nan 0.000 0.456 31 A N 0.502 123.350 122.820 0.047 0.000 1.933 31 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 31 A C 2.359 179.971 177.584 0.046 0.000 1.175 31 A CA 2.001 54.053 52.037 0.026 0.000 0.628 31 A CB -0.823 18.152 19.000 -0.042 0.000 0.814 31 A HN 0.226 nan 8.150 nan 0.000 0.444 32 T N -1.623 112.966 114.554 0.059 0.000 2.737 32 T HA -0.157 4.193 4.350 -0.000 0.000 0.265 32 T C 1.799 176.415 174.700 -0.140 0.000 1.038 32 T CA 1.559 63.654 62.100 -0.008 0.000 1.144 32 T CB -0.457 68.433 68.868 0.036 0.000 0.866 32 T HN 0.576 nan 8.240 nan 0.000 0.434 33 Y N 2.249 122.503 120.300 -0.077 0.000 2.207 33 Y HA -0.160 4.389 4.550 -0.000 0.000 0.287 33 Y C 2.423 178.216 175.900 -0.179 0.000 1.156 33 Y CA 1.334 59.350 58.100 -0.141 0.000 1.182 33 Y CB -0.114 38.427 38.460 0.134 0.000 0.979 33 Y HN 0.034 nan 8.280 nan 0.000 0.521 34 R N -1.007 119.456 120.500 -0.063 0.000 2.119 34 R HA -0.082 4.257 4.340 -0.000 0.000 0.222 34 R C 1.929 178.143 176.300 -0.144 0.000 1.088 34 R CA 1.063 57.095 56.100 -0.112 0.000 0.984 34 R CB -0.333 29.976 30.300 0.014 0.000 0.884 34 R HN 0.281 nan 8.270 nan 0.000 0.447 35 L N 0.191 121.353 121.223 -0.101 0.000 2.056 35 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 35 L C 2.188 178.969 176.870 -0.148 0.000 1.078 35 L CA 1.451 56.259 54.840 -0.054 0.000 0.749 35 L CB -0.458 41.633 42.059 0.055 0.000 0.901 35 L HN -0.053 nan 8.230 nan 0.000 0.433 36 V N -1.134 118.584 119.914 -0.327 0.000 2.667 36 V HA -0.180 3.940 4.120 -0.000 0.000 0.252 36 V C 2.310 178.171 176.094 -0.389 0.000 1.065 36 V CA 0.718 62.766 62.300 -0.420 0.000 1.083 36 V CB -0.393 30.898 31.823 -0.887 0.000 0.692 36 V HN 0.293 nan 8.190 nan 0.000 0.468 37 L N 0.602 121.548 121.223 -0.463 0.000 2.131 37 L HA -0.140 4.199 4.340 -0.000 0.000 0.210 37 L C 1.963 178.703 176.870 -0.215 0.000 1.092 37 L CA 1.904 56.504 54.840 -0.402 0.000 0.759 37 L CB -0.754 41.014 42.059 -0.485 0.000 0.903 37 L HN 0.305 nan 8.230 nan 0.000 0.435 38 D N -1.401 118.903 120.400 -0.160 0.000 2.144 38 D HA -0.151 4.488 4.640 -0.000 0.000 0.200 38 D C 2.280 178.533 176.300 -0.078 0.000 0.978 38 D CA 1.518 55.461 54.000 -0.095 0.000 0.833 38 D CB -0.479 40.284 40.800 -0.063 0.000 0.961 38 D HN 0.404 nan 8.370 nan 0.000 0.470 39 C N 0.011 119.263 119.300 -0.080 0.000 2.446 39 C HA 0.027 4.487 4.460 -0.000 0.000 0.279 39 C C 2.837 177.794 174.990 -0.054 0.000 1.366 39 C CA -0.075 58.912 59.018 -0.052 0.000 1.763 39 C CB -0.659 27.065 27.740 -0.027 0.000 1.929 39 C HN 0.154 nan 8.230 nan 0.000 0.509 40 V N 1.379 121.243 119.914 -0.084 0.000 2.407 40 V HA -0.081 4.039 4.120 -0.000 0.000 0.245 40 V C 2.707 178.772 176.094 -0.049 0.000 1.041 40 V CA 1.994 64.253 62.300 -0.068 0.000 1.040 40 V CB -1.090 30.677 31.823 -0.094 0.000 0.671 40 V HN 0.537 nan 8.190 nan 0.000 0.455 41 A N -0.012 122.771 122.820 -0.062 0.000 2.067 41 A HA -0.004 4.316 4.320 -0.000 0.000 0.219 41 A C 2.303 179.868 177.584 -0.031 0.000 1.158 41 A CA 1.651 53.661 52.037 -0.044 0.000 0.661 41 A CB -0.483 18.485 19.000 -0.054 0.000 0.801 41 A HN 0.543 nan 8.150 nan 0.000 0.452 42 A N -0.562 122.238 122.820 -0.034 0.000 2.014 42 A HA 0.148 4.467 4.320 -0.000 0.000 0.218 42 A C 1.454 179.030 177.584 -0.014 0.000 1.163 42 A CA 1.451 53.473 52.037 -0.025 0.000 0.652 42 A CB -0.305 18.677 19.000 -0.029 0.000 0.808 42 A HN 0.551 nan 8.150 nan 0.000 0.449 43 V N 0.263 120.171 119.914 -0.011 0.000 3.170 43 V HA 0.240 4.360 4.120 -0.000 0.000 0.354 43 V C -0.197 175.904 176.094 0.011 0.000 1.350 43 V CA 0.398 62.700 62.300 0.003 0.000 1.244 43 V CB -0.998 30.828 31.823 0.005 0.000 1.222 43 V HN 0.556 nan 8.190 nan 0.000 0.478 48 R N 2.003 122.567 120.500 0.108 0.000 2.837 48 R HA 0.821 5.161 4.340 -0.000 0.000 0.271 48 R C -1.835 174.559 176.300 0.156 0.000 0.993 48 R CA -1.044 55.123 56.100 0.112 0.000 0.931 48 R CB 2.713 33.117 30.300 0.174 0.000 1.206 48 R HN 0.606 nan 8.270 nan 0.000 0.474 49 L N 1.398 122.672 121.223 0.086 0.000 2.362 49 L HA 0.533 4.873 4.340 -0.000 0.000 0.271 49 L C -1.743 175.276 176.870 0.248 0.000 1.002 49 L CA -0.447 54.493 54.840 0.166 0.000 0.818 49 L CB 1.466 43.488 42.059 -0.062 0.000 1.298 49 L HN 0.479 nan 8.230 nan 0.000 0.420 50 Y N 1.573 122.099 120.300 0.378 0.000 2.477 50 Y HA 0.574 5.123 4.550 -0.000 0.000 0.347 50 Y C 0.058 176.194 175.900 0.393 0.000 0.981 50 Y CA -0.688 57.616 58.100 0.340 0.000 1.033 50 Y CB 2.445 41.025 38.460 0.201 0.000 1.245 50 Y HN 0.574 nan 8.280 nan 0.000 0.455 51 T N 4.511 119.266 114.554 0.335 0.000 2.909 51 T HA 0.633 4.983 4.350 -0.000 0.000 0.289 51 T C -0.797 174.028 174.700 0.208 0.000 1.005 51 T CA -0.390 61.746 62.100 0.060 0.000 1.084 51 T CB 0.457 69.222 68.868 -0.173 0.000 0.975 51 T HN 0.480 nan 8.240 nan 0.000 0.509 52 F N -1.559 118.342 119.950 -0.082 0.000 2.923 52 F HA 0.826 5.352 4.527 -0.000 0.000 0.323 52 F C 0.223 175.980 175.800 -0.071 0.000 1.189 52 F CA -0.391 57.578 58.000 -0.052 0.000 0.930 52 F CB 0.703 39.686 39.000 -0.029 0.000 1.414 52 F HN 1.054 nan 8.300 nan 0.000 0.496 53 G N 0.640 109.477 108.800 0.062 0.000 2.627 53 G HA2 -0.059 3.900 3.960 -0.000 0.000 0.214 53 G HA3 -0.059 3.900 3.960 -0.000 0.000 0.214 53 G C 0.549 175.433 174.900 -0.026 0.000 1.331 53 G CA 0.432 45.506 45.100 -0.043 0.000 0.891 53 G HN 1.885 nan 8.290 nan 0.000 0.539 54 S N -1.089 114.605 115.700 -0.010 0.000 2.400 54 S HA -0.207 4.263 4.470 -0.000 0.000 0.234 54 S C 2.424 177.064 174.600 0.066 0.000 1.049 54 S CA 3.268 61.485 58.200 0.029 0.000 1.039 54 S CB -0.689 62.594 63.200 0.139 0.000 0.856 54 S HN 1.360 nan 8.310 nan 0.000 0.465 55 T N 1.026 115.613 114.554 0.054 0.000 2.857 55 T HA 0.027 4.377 4.350 -0.000 0.000 0.266 55 T C 1.836 176.557 174.700 0.036 0.000 1.048 55 T CA 1.239 63.386 62.100 0.079 0.000 1.139 55 T CB -0.358 68.528 68.868 0.030 0.000 0.874 55 T HN 0.296 nan 8.240 nan 0.000 0.455 56 V N 1.229 121.141 119.914 -0.004 0.000 2.283 56 V HA -0.120 3.999 4.120 -0.000 0.000 0.243 56 V C 2.693 178.798 176.094 0.018 0.000 1.039 56 V CA 1.145 63.452 62.300 0.011 0.000 1.016 56 V CB -0.652 31.192 31.823 0.035 0.000 0.650 56 V HN 0.288 nan 8.190 nan 0.000 0.449 57 V N -0.770 119.126 119.914 -0.030 0.000 2.282 57 V HA -0.302 3.817 4.120 -0.000 0.000 0.249 57 V C 2.177 178.231 176.094 -0.067 0.000 1.057 57 V CA 2.324 64.574 62.300 -0.083 0.000 1.032 57 V CB -0.742 30.912 31.823 -0.282 0.000 0.645 57 V HN 0.585 nan 8.190 nan 0.000 0.447 58 Y N -0.050 120.290 120.300 0.066 0.000 2.503 58 Y HA 0.413 4.962 4.550 -0.001 0.000 0.278 58 Y C 2.062 177.917 175.900 -0.075 0.000 1.111 58 Y CA 0.179 58.245 58.100 -0.057 0.000 1.270 58 Y CB -0.454 37.931 38.460 -0.126 0.000 1.063 58 Y HN 0.330 nan 8.280 nan 0.000 0.548 59 G N 0.718 109.577 108.800 0.099 0.000 2.160 59 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.251 59 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.251 59 G C -0.073 174.850 174.900 0.037 0.000 1.008 59 G CA 0.394 45.505 45.100 0.019 0.000 0.724 59 G HN 0.549 nan 8.290 nan 0.000 0.514 60 V N -3.764 116.227 119.914 0.128 0.000 3.078 60 V HA 0.859 4.979 4.120 -0.000 0.000 0.311 60 V C -0.343 175.881 176.094 0.217 0.000 1.138 60 V CA -1.204 61.202 62.300 0.178 0.000 1.007 60 V CB 2.348 34.212 31.823 0.068 0.000 1.045 60 V HN 0.582 nan 8.190 nan 0.000 0.432 61 H N 1.502 120.617 119.070 0.074 0.000 2.658 61 H HA 0.498 5.053 4.556 -0.001 0.000 0.337 61 H C -0.906 174.437 175.328 0.026 0.000 1.009 61 H CA -0.333 55.746 56.048 0.052 0.000 1.231 61 H CB 2.103 31.889 29.762 0.040 0.000 1.508 61 H HN 1.009 nan 8.280 nan 0.000 0.517 62 E N 4.495 124.467 120.200 -0.381 0.000 2.324 62 E HA 0.009 4.359 4.350 -0.000 0.000 0.271 62 E C 1.110 177.380 176.600 -0.549 0.000 1.028 62 E CA -0.263 55.957 56.400 -0.300 0.000 0.890 62 E CB 0.861 30.540 29.700 -0.035 0.000 1.004 62 E HN 0.525 nan 8.360 nan 0.000 0.431 63 K N 3.064 123.291 120.400 -0.288 0.000 2.189 63 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 63 K C 0.945 177.462 176.600 -0.138 0.000 1.046 63 K CA 1.682 57.849 56.287 -0.200 0.000 0.928 63 K CB -0.138 32.285 32.500 -0.128 0.000 0.720 63 K HN 0.675 nan 8.250 nan 0.000 0.458 64 G N 0.114 108.837 108.800 -0.128 0.000 3.695 64 G HA2 0.044 4.004 3.960 -0.000 0.000 0.277 64 G HA3 0.044 4.004 3.960 -0.000 0.000 0.277 64 G C 0.047 174.933 174.900 -0.024 0.000 1.001 64 G CA 0.056 45.130 45.100 -0.043 0.000 0.837 64 G HN 0.289 nan 8.290 nan 0.000 0.492 65 S N -0.384 115.269 115.700 -0.078 0.000 2.624 65 S HA 0.397 4.867 4.470 -0.000 0.000 0.263 65 S C -0.395 174.270 174.600 0.108 0.000 1.287 65 S CA -0.476 57.720 58.200 -0.007 0.000 0.990 65 S CB 1.845 65.024 63.200 -0.036 0.000 0.950 65 S HN 0.046 nan 8.310 nan 0.000 0.561 66 D N -0.725 119.724 120.400 0.083 0.000 2.339 66 D HA 0.461 5.101 4.640 -0.000 0.000 0.245 66 D C -0.716 175.638 176.300 0.089 0.000 1.115 66 D CA -0.012 54.039 54.000 0.085 0.000 0.917 66 D CB 1.157 41.976 40.800 0.033 0.000 1.192 66 D HN 0.382 nan 8.370 nan 0.000 0.428 67 V N 2.411 122.352 119.914 0.045 0.000 2.864 67 V HA 0.381 4.501 4.120 -0.000 0.000 0.314 67 V C -1.169 174.772 176.094 -0.254 0.000 1.073 67 V CA -0.626 61.589 62.300 -0.142 0.000 0.956 67 V CB 2.199 33.867 31.823 -0.258 0.000 1.023 67 V HN 0.564 nan 8.190 nan 0.000 0.435 68 D N 3.444 123.511 120.400 -0.556 0.000 2.375 68 D HA 0.466 5.106 4.640 -0.000 0.000 0.247 68 D C -1.245 174.574 176.300 -0.802 0.000 1.061 68 D CA 0.194 53.776 54.000 -0.696 0.000 0.834 68 D CB 1.868 41.888 40.800 -1.300 0.000 1.247 68 D HN 0.294 nan 8.370 nan 0.000 0.489 69 F N 0.594 120.492 119.950 -0.085 0.000 2.561 69 F HA 0.522 5.048 4.527 -0.000 0.000 0.321 69 F C 0.068 176.078 175.800 0.349 0.000 1.065 69 F CA -1.069 57.006 58.000 0.125 0.000 0.934 69 F CB 2.173 41.207 39.000 0.056 0.000 1.215 69 F HN -0.057 nan 8.300 nan 0.000 0.471 70 V N 3.407 123.687 119.914 0.610 0.000 2.686 70 V HA 0.584 4.704 4.120 -0.000 0.000 0.306 70 V C -1.571 174.692 176.094 0.281 0.000 1.065 70 V CA -0.810 61.736 62.300 0.410 0.000 0.894 70 V CB 2.071 34.068 31.823 0.289 0.000 1.004 70 V HN 0.616 nan 8.190 nan 0.000 0.424 71 V N 8.205 128.197 119.914 0.129 0.000 2.498 71 V HA 0.639 4.758 4.120 -0.000 0.000 0.279 71 V C -0.473 175.613 176.094 -0.013 0.000 1.048 71 V CA 0.187 62.514 62.300 0.045 0.000 0.967 71 V CB 1.079 32.864 31.823 -0.063 0.000 0.988 71 V HN 0.838 nan 8.190 nan 0.000 0.473 90 A N 0.370 123.198 122.820 0.015 0.000 2.140 90 A HA 0.240 4.560 4.320 -0.000 0.000 0.199 90 A C 1.776 179.392 177.584 0.053 0.000 1.416 90 A CA 0.700 52.746 52.037 0.015 0.000 1.018 90 A CB 0.168 19.168 19.000 0.000 0.000 1.117 90 A HN 0.395 nan 8.150 nan 0.000 0.480 91 K N 0.407 120.837 120.400 0.051 0.000 2.288 91 K HA 0.005 4.324 4.320 -0.000 0.000 0.201 91 K C 1.692 178.329 176.600 0.062 0.000 1.048 91 K CA 1.350 57.674 56.287 0.061 0.000 0.956 91 K CB -0.582 31.947 32.500 0.047 0.000 0.746 91 K HN 0.277 nan 8.250 nan 0.000 0.461 92 G N 2.260 111.092 108.800 0.052 0.000 2.404 92 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.214 92 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.214 92 G C 1.516 176.456 174.900 0.067 0.000 1.189 92 G CA 0.254 45.384 45.100 0.050 0.000 0.789 92 G HN 0.229 nan 8.290 nan 0.000 0.533 93 L N -0.022 121.247 121.223 0.076 0.000 2.265 93 L HA -0.045 4.295 4.340 -0.000 0.000 0.215 93 L C 2.935 179.916 176.870 0.186 0.000 1.117 93 L CA 1.163 56.068 54.840 0.108 0.000 0.782 93 L CB -0.092 42.013 42.059 0.077 0.000 0.914 93 L HN 0.307 nan 8.230 nan 0.000 0.441 94 Q N -0.863 119.049 119.800 0.187 0.000 2.079 94 Q HA -0.180 4.159 4.340 -0.000 0.000 0.200 94 Q C 2.114 178.172 176.000 0.098 0.000 0.974 94 Q CA 1.631 57.549 55.803 0.192 0.000 0.840 94 Q CB -0.133 28.701 28.738 0.160 0.000 0.898 94 Q HN 0.643 nan 8.270 nan 0.000 0.430 95 A N 0.074 122.943 122.820 0.081 0.000 2.209 95 A HA -0.126 4.194 4.320 -0.000 0.000 0.212 95 A C 1.084 178.700 177.584 0.054 0.000 1.158 95 A CA 1.305 53.377 52.037 0.057 0.000 0.742 95 A CB -0.092 18.937 19.000 0.050 0.000 0.790 95 A HN 0.304 nan 8.150 nan 0.000 0.472 96 D N -0.595 119.847 120.400 0.070 0.000 2.162 96 D HA -0.002 4.638 4.640 -0.000 0.000 0.205 96 D C 1.535 177.871 176.300 0.060 0.000 0.964 96 D CA 0.718 54.757 54.000 0.065 0.000 0.847 96 D CB -0.109 40.736 40.800 0.075 0.000 0.988 96 D HN 0.427 nan 8.370 nan 0.000 0.480 97 I N 0.227 120.838 120.570 0.069 0.000 3.428 97 I HA 0.023 4.193 4.170 -0.000 0.000 0.286 97 I C 0.965 177.081 176.117 -0.001 0.000 1.287 97 I CA 0.434 61.754 61.300 0.033 0.000 1.396 97 I CB 0.288 38.302 38.000 0.024 0.000 1.062 97 I HN -0.074 nan 8.210 nan 0.000 0.471 98 L N 0.092 121.321 121.223 0.010 0.000 2.629 98 L HA 0.255 4.595 4.340 -0.000 0.000 0.230 98 L C 1.892 178.779 176.870 0.028 0.000 1.151 98 L CA 0.335 55.185 54.840 0.017 0.000 0.924 98 L CB -0.207 41.866 42.059 0.023 0.000 1.137 98 L HN 0.254 nan 8.230 nan 0.000 0.457 99 A N 0.547 123.384 122.820 0.028 0.000 1.984 99 A HA 0.027 4.346 4.320 -0.000 0.000 0.203 99 A C 1.864 179.463 177.584 0.026 0.000 1.292 99 A CA 0.060 52.114 52.037 0.028 0.000 0.782 99 A CB 0.146 19.164 19.000 0.029 0.000 0.924 99 A HN 0.336 nan 8.150 nan 0.000 0.475 100 K N -0.337 120.077 120.400 0.025 0.000 2.469 100 K HA 0.309 4.629 4.320 -0.000 0.000 0.201 100 K C 0.861 177.471 176.600 0.017 0.000 1.028 100 K CA 0.183 56.482 56.287 0.021 0.000 1.170 100 K CB 0.213 32.727 32.500 0.023 0.000 0.874 100 K HN 0.310 nan 8.250 nan 0.000 0.507 101 L N 0.125 121.359 121.223 0.019 0.000 2.547 101 L HA 0.338 4.678 4.340 -0.000 0.000 0.218 101 L C 2.139 179.033 176.870 0.039 0.000 1.048 101 L CA 0.895 55.747 54.840 0.020 0.000 0.859 101 L CB 0.081 42.147 42.059 0.012 0.000 1.128 101 L HN 0.124 nan 8.230 nan 0.000 0.483 102 A N -0.021 122.825 122.820 0.044 0.000 2.019 102 A HA -0.196 4.123 4.320 -0.000 0.000 0.219 102 A C 2.417 180.028 177.584 0.045 0.000 1.164 102 A CA 1.670 53.739 52.037 0.054 0.000 0.644 102 A CB -0.611 18.417 19.000 0.046 0.000 0.805 102 A HN 0.464 nan 8.150 nan 0.000 0.449 103 R N -0.563 119.955 120.500 0.030 0.000 2.189 103 R HA -0.008 4.332 4.340 -0.000 0.000 0.218 103 R C 1.276 177.584 176.300 0.013 0.000 1.074 103 R CA 1.335 57.447 56.100 0.020 0.000 0.991 103 R CB -0.091 30.218 30.300 0.015 0.000 0.883 103 R HN 0.333 nan 8.270 nan 0.000 0.457 104 V N 1.196 121.119 119.914 0.015 0.000 2.825 104 V HA -0.083 4.037 4.120 -0.000 0.000 0.246 104 V C 2.077 178.176 176.094 0.008 0.000 1.068 104 V CA 1.096 63.397 62.300 0.002 0.000 1.088 104 V CB -0.091 31.730 31.823 -0.003 0.000 0.733 104 V HN 0.410 nan 8.190 nan 0.000 0.468 105 I N -1.344 119.253 120.570 0.045 0.000 2.439 105 I HA -0.080 4.089 4.170 -0.000 0.000 0.251 105 I C 2.574 178.722 176.117 0.052 0.000 1.139 105 I CA 1.321 62.666 61.300 0.075 0.000 1.438 105 I CB -0.534 37.584 38.000 0.196 0.000 1.085 105 I HN 0.095 nan 8.210 nan 0.000 0.427 106 R N 0.919 121.450 120.500 0.052 0.000 2.075 106 R HA -0.153 4.187 4.340 -0.000 0.000 0.232 106 R C 2.482 178.772 176.300 -0.017 0.000 1.126 106 R CA 1.730 57.851 56.100 0.035 0.000 0.963 106 R CB -0.444 29.878 30.300 0.037 0.000 0.858 106 R HN 0.554 nan 8.270 nan 0.000 0.435 107 Q N 1.399 121.183 119.800 -0.028 0.000 1.985 107 Q HA -0.228 4.112 4.340 -0.000 0.000 0.207 107 Q C 1.669 177.601 176.000 -0.113 0.000 0.996 107 Q CA 1.852 57.621 55.803 -0.056 0.000 0.851 107 Q CB 0.064 28.775 28.738 -0.046 0.000 0.921 107 Q HN 0.236 nan 8.270 nan 0.000 0.418 108 K N -1.046 119.268 120.400 -0.145 0.000 2.116 108 K HA -0.066 4.253 4.320 -0.000 0.000 0.203 108 K C 0.072 176.338 176.600 -0.556 0.000 1.052 108 K CA 0.754 56.864 56.287 -0.294 0.000 0.952 108 K CB 0.115 32.468 32.500 -0.244 0.000 0.729 108 K HN 0.302 nan 8.250 nan 0.000 0.446 109 H N 0.163 118.971 119.070 -0.438 0.000 2.632 109 H HA 0.183 4.738 4.556 -0.000 0.000 0.258 109 H C 0.427 175.542 175.328 -0.354 0.000 1.278 109 H CA -0.217 55.425 56.048 -0.677 0.000 1.352 109 H CB 0.583 29.311 29.762 -1.724 0.000 1.418 109 H HN -0.054 nan 8.280 nan 0.000 0.513 110 L N 0.266 121.403 121.223 -0.143 0.000 2.217 110 L HA -0.087 4.253 4.340 -0.000 0.000 0.211 110 L C 1.799 178.696 176.870 0.045 0.000 1.107 110 L CA 0.868 55.686 54.840 -0.036 0.000 0.783 110 L CB 0.006 42.035 42.059 -0.050 0.000 0.919 110 L HN 0.457 nan 8.230 nan 0.000 0.442 111 S N -1.713 114.037 115.700 0.083 0.000 2.387 111 S HA -0.069 4.401 4.470 -0.000 0.000 0.226 111 S C 0.271 175.045 174.600 0.291 0.000 1.026 111 S CA 0.145 58.449 58.200 0.173 0.000 0.972 111 S CB -0.192 63.129 63.200 0.202 0.000 0.814 111 S HN 0.255 nan 8.310 nan 0.000 0.477 112 W N 3.408 124.745 121.300 0.062 0.000 2.274 112 W HA 0.187 4.847 4.660 -0.001 0.000 0.345 112 W C 0.680 177.202 176.519 0.004 0.000 1.265 112 W CA -0.935 56.430 57.345 0.034 0.000 1.293 112 W CB -0.487 28.999 29.460 0.043 0.000 1.175 112 W HN 0.110 nan 8.180 nan 0.000 0.577 113 N N 2.406 121.197 118.700 0.152 0.000 2.500 113 N HA 0.268 5.008 4.740 -0.000 0.000 0.236 113 N C -1.628 173.891 175.510 0.015 0.000 1.022 113 N CA -0.353 52.733 53.050 0.060 0.000 0.935 113 N CB 0.766 39.257 38.487 0.005 0.000 1.147 113 N HN 0.215 nan 8.380 nan 0.000 0.512 114 V N 2.971 122.917 119.914 0.054 0.000 2.294 114 V HA 0.401 4.520 4.120 -0.000 0.000 0.272 114 V C 0.100 176.197 176.094 0.005 0.000 1.027 114 V CA -0.678 61.635 62.300 0.022 0.000 0.823 114 V CB 0.324 32.201 31.823 0.090 0.000 1.030 114 V HN 0.657 nan 8.190 nan 0.000 0.457 115 E N 4.222 124.407 120.200 -0.025 0.000 2.349 115 E HA 0.350 4.699 4.350 -0.000 0.000 0.262 115 E C -0.438 176.159 176.600 -0.004 0.000 1.088 115 E CA -0.400 55.991 56.400 -0.014 0.000 0.899 115 E CB 1.104 30.789 29.700 -0.025 0.000 1.044 115 E HN 0.872 nan 8.360 nan 0.000 0.420 116 E N 2.989 123.193 120.200 0.006 0.000 2.914 116 E HA 0.203 4.552 4.350 -0.000 0.000 0.246 116 E C -1.031 175.578 176.600 0.015 0.000 1.146 116 E CA -0.389 56.020 56.400 0.015 0.000 0.803 116 E CB 0.957 30.669 29.700 0.020 0.000 1.409 116 E HN 0.264 nan 8.360 nan 0.000 0.392 123 P HA 0.487 nan 4.420 nan 0.000 0.267 123 P C -0.808 176.528 177.300 0.060 0.000 1.209 123 P CA 0.123 63.255 63.100 0.053 0.000 0.763 123 P CB 1.254 32.987 31.700 0.055 0.000 0.816 124 V N 4.032 123.980 119.914 0.057 0.000 3.048 124 V HA 0.381 4.501 4.120 -0.000 0.000 0.303 124 V C -1.239 174.886 176.094 0.051 0.000 1.214 124 V CA -0.739 61.601 62.300 0.068 0.000 0.984 124 V CB 2.826 34.695 31.823 0.077 0.000 1.054 124 V HN 0.165 nan 8.190 nan 0.000 0.430 125 V N 6.288 126.237 119.914 0.059 0.000 2.350 125 V HA 0.540 4.660 4.120 -0.000 0.000 0.285 125 V C 0.090 176.177 176.094 -0.011 0.000 1.014 125 V CA -0.590 61.729 62.300 0.031 0.000 0.831 125 V CB 1.471 33.324 31.823 0.050 0.000 1.000 125 V HN 0.858 nan 8.190 nan 0.000 0.433 126 R N 4.155 124.623 120.500 -0.054 0.000 2.234 126 R HA 0.649 4.989 4.340 -0.000 0.000 0.324 126 R C -1.296 174.862 176.300 -0.237 0.000 1.054 126 R CA -0.155 55.868 56.100 -0.127 0.000 0.912 126 R CB 1.156 31.408 30.300 -0.080 0.000 1.030 126 R HN 0.522 nan 8.270 nan 0.000 0.455 127 V N 5.051 124.670 119.914 -0.492 0.000 2.588 127 V HA 0.437 4.557 4.120 -0.000 0.000 0.304 127 V C -0.601 175.084 176.094 -0.682 0.000 1.042 127 V CA -0.836 61.070 62.300 -0.657 0.000 0.877 127 V CB 1.925 33.115 31.823 -1.055 0.000 0.996 127 V HN 0.785 nan 8.190 nan 0.000 0.425 128 K N 2.298 122.433 120.400 -0.442 0.000 2.426 128 K HA 0.904 5.224 4.320 -0.000 0.000 0.251 128 K C -0.131 176.219 176.600 -0.416 0.000 0.941 128 K CA -0.611 55.450 56.287 -0.377 0.000 0.808 128 K CB 2.706 35.084 32.500 -0.203 0.000 1.265 128 K HN 0.999 nan 8.250 nan 0.000 0.432 129 G N -0.079 108.440 108.800 -0.470 0.000 2.349 129 G HA2 0.441 4.401 3.960 -0.000 0.000 0.294 129 G HA3 0.441 4.401 3.960 -0.000 0.000 0.294 129 G C -1.356 173.412 174.900 -0.220 0.000 1.380 129 G CA -0.741 44.104 45.100 -0.425 0.000 0.811 129 G HN 0.616 nan 8.290 nan 0.000 0.519 130 G N -1.453 107.377 108.800 0.049 0.000 2.353 130 G HA2 0.593 4.553 3.960 -0.000 0.000 0.284 130 G HA3 0.593 4.553 3.960 -0.000 0.000 0.284 130 G C 1.123 176.168 174.900 0.241 0.000 1.172 130 G CA 0.863 46.042 45.100 0.132 0.000 0.854 130 G HN 2.242 nan 8.290 nan 0.000 0.485 131 G N -0.035 108.869 108.800 0.173 0.000 2.175 131 G HA2 0.241 4.201 3.960 -0.000 0.000 0.244 131 G HA3 0.241 4.201 3.960 -0.000 0.000 0.244 131 G C 0.368 175.375 174.900 0.179 0.000 0.982 131 G CA 0.485 45.711 45.100 0.209 0.000 0.641 131 G HN 2.022 nan 8.290 nan 0.000 0.527 132 A N -0.852 121.997 122.820 0.048 0.000 2.498 132 A HA 0.959 5.279 4.320 -0.000 0.000 0.298 132 A C 0.244 177.827 177.584 -0.001 0.000 1.075 132 A CA 0.037 52.055 52.037 -0.031 0.000 0.714 132 A CB 1.671 20.462 19.000 -0.348 0.000 1.299 132 A HN 1.844 nan 8.150 nan 0.000 0.407 133 V N -0.383 119.585 119.914 0.091 0.000 2.924 133 V HA 0.377 4.497 4.120 -0.000 0.000 0.305 133 V C -0.375 175.807 176.094 0.147 0.000 1.073 133 V CA -0.729 61.643 62.300 0.119 0.000 1.098 133 V CB 0.456 32.336 31.823 0.094 0.000 1.000 133 V HN 0.705 nan 8.190 nan 0.000 0.484 134 D N 3.981 124.426 120.400 0.075 0.000 2.401 134 D HA 0.415 5.055 4.640 -0.000 0.000 0.254 134 D C -0.348 176.020 176.300 0.113 0.000 1.192 134 D CA 0.704 54.698 54.000 -0.010 0.000 0.885 134 D CB 0.478 41.256 40.800 -0.036 0.000 1.147 134 D HN 0.689 nan 8.370 nan 0.000 0.478 135 F N -0.934 119.002 119.950 -0.023 0.000 2.613 135 F HA 0.548 5.074 4.527 -0.000 0.000 0.314 135 F C -0.801 175.029 175.800 0.049 0.000 1.075 135 F CA -1.270 56.755 58.000 0.043 0.000 0.945 135 F CB 1.482 40.621 39.000 0.232 0.000 1.310 135 F HN -0.151 nan 8.300 nan 0.000 0.467 136 D N 2.405 122.960 120.400 0.259 0.000 2.217 136 D HA 0.422 5.062 4.640 -0.000 0.000 0.243 136 D C -1.004 175.514 176.300 0.363 0.000 1.054 136 D CA -0.042 54.070 54.000 0.186 0.000 0.838 136 D CB 2.463 43.316 40.800 0.088 0.000 1.162 136 D HN 0.493 nan 8.370 nan 0.000 0.472 137 I N 1.909 122.668 120.570 0.315 0.000 2.389 137 I HA 0.290 4.459 4.170 -0.000 0.000 0.288 137 I C -0.164 176.082 176.117 0.214 0.000 0.999 137 I CA -0.121 61.381 61.300 0.338 0.000 1.129 137 I CB 1.536 39.754 38.000 0.363 0.000 1.288 137 I HN 0.267 nan 8.210 nan 0.000 0.444 138 T N 5.515 120.205 114.554 0.227 0.000 2.907 138 T HA 0.891 5.240 4.350 -0.000 0.000 0.290 138 T C -1.025 173.719 174.700 0.073 0.000 1.066 138 T CA -0.434 61.756 62.100 0.151 0.000 1.012 138 T CB 1.785 70.767 68.868 0.189 0.000 1.184 138 T HN 0.688 nan 8.240 nan 0.000 0.522 139 A N 1.329 124.142 122.820 -0.012 0.000 2.374 139 A HA 0.712 5.032 4.320 -0.000 0.000 0.317 139 A C -0.662 176.875 177.584 -0.078 0.000 1.094 139 A CA -0.559 51.358 52.037 -0.199 0.000 0.765 139 A CB 0.302 19.059 19.000 -0.404 0.000 1.268 139 A HN 1.135 nan 8.150 nan 0.000 0.438 140 Y N -1.054 119.264 120.300 0.029 0.000 4.753 140 Y HA -0.232 4.317 4.550 -0.001 0.000 0.232 140 Y C 0.681 176.556 175.900 -0.043 0.000 1.029 140 Y CA 1.333 59.430 58.100 -0.004 0.000 1.996 140 Y CB -2.018 36.446 38.460 0.006 0.000 1.602 140 Y HN 0.735 nan 8.280 nan 0.000 0.621 141 R N 1.414 121.940 120.500 0.043 0.000 2.229 141 R HA 0.407 4.747 4.340 -0.000 0.000 0.328 141 R C 1.264 177.459 176.300 -0.176 0.000 1.009 141 R CA -0.583 55.480 56.100 -0.061 0.000 0.864 141 R CB 0.799 31.045 30.300 -0.090 0.000 1.085 141 R HN 0.164 nan 8.270 nan 0.000 0.453 142 R N 1.832 122.221 120.500 -0.186 0.000 2.237 142 R HA 0.069 4.409 4.340 -0.000 0.000 0.195 142 R C 0.382 176.474 176.300 -0.346 0.000 0.956 142 R CA 0.469 56.408 56.100 -0.268 0.000 1.029 142 R CB -0.120 30.051 30.300 -0.215 0.000 0.972 142 R HN 0.397 nan 8.270 nan 0.000 0.493 143 N N 1.613 120.138 118.700 -0.292 0.000 2.270 143 N HA -0.052 4.687 4.740 -0.000 0.000 0.181 143 N C 1.834 177.152 175.510 -0.321 0.000 1.016 143 N CA 1.611 54.495 53.050 -0.277 0.000 0.870 143 N CB -0.540 37.886 38.487 -0.102 0.000 0.979 143 N HN 0.478 nan 8.380 nan 0.000 0.431 144 G N 0.948 109.458 108.800 -0.484 0.000 2.421 144 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 144 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 144 G C 1.660 176.243 174.900 -0.528 0.000 1.171 144 G CA 1.344 46.020 45.100 -0.706 0.000 0.775 144 G HN 0.327 nan 8.290 nan 0.000 0.543 145 V N -0.763 118.829 119.914 -0.537 0.000 2.548 145 V HA 0.088 4.208 4.120 -0.000 0.000 0.249 145 V C 2.508 178.489 176.094 -0.188 0.000 1.055 145 V CA 2.179 64.350 62.300 -0.216 0.000 1.065 145 V CB -0.479 31.206 31.823 -0.229 0.000 0.681 145 V HN 0.287 nan 8.190 nan 0.000 0.462 146 R N 2.115 122.426 120.500 -0.316 0.000 2.062 146 R HA -0.093 4.247 4.340 -0.000 0.000 0.229 146 R C 2.308 178.518 176.300 -0.150 0.000 1.128 146 R CA 2.025 57.884 56.100 -0.401 0.000 0.960 146 R CB -0.455 29.337 30.300 -0.847 0.000 0.855 146 R HN 0.862 nan 8.270 nan 0.000 0.432 147 N N -0.708 117.996 118.700 0.008 0.000 2.331 147 N HA -0.067 4.673 4.740 -0.000 0.000 0.180 147 N C 1.250 176.875 175.510 0.191 0.000 1.019 147 N CA 1.575 54.803 53.050 0.297 0.000 0.881 147 N CB -0.257 38.456 38.487 0.378 0.000 0.972 147 N HN -0.025 nan 8.380 nan 0.000 0.435 148 S N 0.197 115.955 115.700 0.096 0.000 2.368 148 S HA 0.018 4.488 4.470 -0.000 0.000 0.224 148 S C 2.085 176.739 174.600 0.090 0.000 1.029 148 S CA 1.005 59.273 58.200 0.113 0.000 0.988 148 S CB -0.619 62.670 63.200 0.148 0.000 0.838 148 S HN 0.656 nan 8.310 nan 0.000 0.462 149 A N 1.308 124.165 122.820 0.061 0.000 1.930 149 A HA -0.010 4.309 4.320 -0.000 0.000 0.217 149 A C 2.109 179.711 177.584 0.031 0.000 1.175 149 A CA 1.198 53.257 52.037 0.037 0.000 0.627 149 A CB -0.643 18.362 19.000 0.008 0.000 0.815 149 A HN 0.406 nan 8.150 nan 0.000 0.443 150 L N -0.093 121.178 121.223 0.080 0.000 1.994 150 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 150 L C 2.284 179.197 176.870 0.071 0.000 1.071 150 L CA 1.784 56.666 54.840 0.070 0.000 0.745 150 L CB -0.498 41.685 42.059 0.207 0.000 0.892 150 L HN 0.402 nan 8.230 nan 0.000 0.431 151 L N -0.852 120.451 121.223 0.133 0.000 2.093 151 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 151 L C 2.776 179.652 176.870 0.010 0.000 1.085 151 L CA 1.316 56.203 54.840 0.078 0.000 0.755 151 L CB -0.648 41.477 42.059 0.110 0.000 0.904 151 L HN 0.319 nan 8.230 nan 0.000 0.435 152 R N 0.541 121.082 120.500 0.069 0.000 2.083 152 R HA -0.211 4.129 4.340 -0.000 0.000 0.237 152 R C 2.375 178.699 176.300 0.040 0.000 1.137 152 R CA 1.605 57.761 56.100 0.093 0.000 0.951 152 R CB -0.262 30.075 30.300 0.063 0.000 0.851 152 R HN 0.356 nan 8.270 nan 0.000 0.434 153 A N -0.025 122.763 122.820 -0.053 0.000 1.908 153 A HA -0.205 4.114 4.320 -0.000 0.000 0.218 153 A C 1.985 179.469 177.584 -0.167 0.000 1.181 153 A CA 1.380 53.333 52.037 -0.140 0.000 0.627 153 A CB -0.879 17.969 19.000 -0.253 0.000 0.818 153 A HN 0.522 nan 8.150 nan 0.000 0.445 154 Y N -1.665 118.537 120.300 -0.163 0.000 2.145 154 Y HA -0.227 4.323 4.550 -0.001 0.000 0.286 154 Y C 2.173 177.968 175.900 -0.175 0.000 1.145 154 Y CA 1.626 59.583 58.100 -0.237 0.000 1.148 154 Y CB -0.345 37.870 38.460 -0.410 0.000 0.981 154 Y HN 0.347 nan 8.280 nan 0.000 0.507 155 F N -0.006 120.051 119.950 0.178 0.000 2.407 155 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 155 F C 2.123 177.957 175.800 0.057 0.000 1.097 155 F CA 0.685 58.751 58.000 0.110 0.000 1.422 155 F CB -0.551 38.511 39.000 0.103 0.000 1.067 155 F HN 0.111 nan 8.300 nan 0.000 0.539 156 E N 0.191 120.497 120.200 0.175 0.000 2.106 156 E HA -0.199 4.150 4.350 -0.000 0.000 0.192 156 E C 2.024 178.667 176.600 0.071 0.000 0.984 156 E CA 0.877 57.330 56.400 0.088 0.000 0.806 156 E CB -0.397 29.323 29.700 0.034 0.000 0.750 156 E HN 0.570 nan 8.360 nan 0.000 0.458 157 Q N 0.118 119.959 119.800 0.068 0.000 2.226 157 Q HA -0.074 4.266 4.340 -0.000 0.000 0.204 157 Q C 0.732 176.788 176.000 0.095 0.000 0.975 157 Q CA 0.743 56.585 55.803 0.064 0.000 0.866 157 Q CB -0.045 28.733 28.738 0.066 0.000 0.915 157 Q HN 0.129 nan 8.270 nan 0.000 0.440 158 N N -0.973 117.810 118.700 0.139 0.000 2.785 158 N HA 0.106 4.846 4.740 -0.000 0.000 0.224 158 N C -2.513 173.099 175.510 0.170 0.000 1.448 158 N CA -1.014 52.122 53.050 0.143 0.000 0.748 158 N CB 1.051 39.631 38.487 0.155 0.000 1.385 158 N HN -0.194 nan 8.380 nan 0.000 0.538 159 P HA -0.100 nan 4.420 nan 0.000 0.216 159 P C -1.678 175.629 177.300 0.011 0.000 1.150 159 P CA 1.209 64.349 63.100 0.066 0.000 0.843 159 P CB -0.408 31.302 31.700 0.016 0.000 0.787 160 P HA -0.069 nan 4.420 nan 0.000 0.225 160 P C 0.836 178.199 177.300 0.104 0.000 1.148 160 P CA 0.992 64.158 63.100 0.110 0.000 0.779 160 P CB -0.657 31.119 31.700 0.128 0.000 0.780 161 C N -1.035 118.326 119.300 0.101 0.000 2.449 161 C HA -0.022 4.438 4.460 -0.000 0.000 0.283 161 C C 2.506 177.495 174.990 -0.001 0.000 1.453 161 C CA 0.415 59.520 59.018 0.144 0.000 1.779 161 C CB -1.622 26.298 27.740 0.300 0.000 1.779 161 C HN 0.291 nan 8.230 nan 0.000 0.546 162 R N -0.617 119.699 120.500 -0.306 0.000 2.120 162 R HA -0.179 4.160 4.340 -0.000 0.000 0.234 162 R C 1.977 177.953 176.300 -0.540 0.000 1.123 162 R CA 1.668 57.342 56.100 -0.710 0.000 0.975 162 R CB -0.270 29.569 30.300 -0.768 0.000 0.866 162 R HN 0.666 nan 8.270 nan 0.000 0.446 163 W N 0.654 121.758 121.300 -0.327 0.000 2.358 163 W HA -0.192 4.467 4.660 -0.001 0.000 0.303 163 W C 2.083 178.441 176.519 -0.270 0.000 1.208 163 W CA 0.180 57.311 57.345 -0.357 0.000 1.274 163 W CB -0.347 28.937 29.460 -0.294 0.000 1.138 163 W HN 0.104 nan 8.180 nan 0.000 0.515 164 L N 0.411 121.671 121.223 0.063 0.000 2.012 164 L HA -0.234 4.105 4.340 -0.000 0.000 0.210 164 L C 2.644 179.472 176.870 -0.071 0.000 1.073 164 L CA 2.579 57.408 54.840 -0.018 0.000 0.748 164 L CB -1.453 40.617 42.059 0.018 0.000 0.891 164 L HN -0.034 nan 8.230 nan 0.000 0.431 165 S N -0.847 114.842 115.700 -0.018 0.000 2.359 165 S HA -0.272 4.198 4.470 -0.000 0.000 0.224 165 S C 2.065 176.662 174.600 -0.004 0.000 1.035 165 S CA 1.972 60.205 58.200 0.056 0.000 1.018 165 S CB -0.347 62.965 63.200 0.186 0.000 0.876 165 S HN 0.531 nan 8.310 nan 0.000 0.448 166 M N 0.907 120.406 119.600 -0.169 0.000 2.159 166 M HA -0.053 4.427 4.480 -0.000 0.000 0.263 166 M C 2.521 178.835 176.300 0.023 0.000 1.063 166 M CA 1.461 56.638 55.300 -0.206 0.000 1.110 166 M CB -0.420 31.867 32.600 -0.520 0.000 1.374 166 M HN 0.308 nan 8.290 nan 0.000 0.411 167 S N 0.560 116.310 115.700 0.083 0.000 2.356 167 S HA -0.097 4.373 4.470 -0.000 0.000 0.223 167 S C 1.809 176.434 174.600 0.042 0.000 1.032 167 S CA 1.059 59.356 58.200 0.162 0.000 1.005 167 S CB -0.239 63.020 63.200 0.100 0.000 0.867 167 S HN 0.305 nan 8.310 nan 0.000 0.449 168 I N 1.882 122.414 120.570 -0.063 0.000 2.252 168 I HA -0.110 4.060 4.170 -0.000 0.000 0.245 168 I C 2.377 178.492 176.117 -0.003 0.000 1.102 168 I CA 1.322 62.580 61.300 -0.071 0.000 1.385 168 I CB -1.100 36.751 38.000 -0.248 0.000 1.064 168 I HN 0.327 nan 8.210 nan 0.000 0.414 169 K N 1.121 121.507 120.400 -0.024 0.000 2.026 169 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 169 K C 2.377 178.935 176.600 -0.070 0.000 1.048 169 K CA 1.338 57.594 56.287 -0.052 0.000 0.929 169 K CB -0.066 32.463 32.500 0.049 0.000 0.713 169 K HN 0.100 nan 8.250 nan 0.000 0.439 170 R N -0.274 120.214 120.500 -0.021 0.000 2.073 170 R HA -0.192 4.147 4.340 -0.000 0.000 0.234 170 R C 2.192 178.463 176.300 -0.047 0.000 1.134 170 R CA 1.921 57.993 56.100 -0.048 0.000 0.952 170 R CB -0.568 29.696 30.300 -0.060 0.000 0.850 170 R HN 0.458 nan 8.270 nan 0.000 0.433 171 W N 1.587 122.769 121.300 -0.196 0.000 2.338 171 W HA -0.253 4.406 4.660 -0.000 0.000 0.304 171 W C 2.350 178.705 176.519 -0.274 0.000 1.212 171 W CA 2.372 59.592 57.345 -0.210 0.000 1.264 171 W CB -0.520 28.826 29.460 -0.190 0.000 1.142 171 W HN 0.217 nan 8.180 nan 0.000 0.512 172 S N 0.014 115.420 115.700 -0.489 0.000 2.402 172 S HA -0.176 4.293 4.470 -0.000 0.000 0.229 172 S C 1.701 175.959 174.600 -0.570 0.000 1.021 172 S CA 1.467 59.132 58.200 -0.891 0.000 0.974 172 S CB -0.506 61.976 63.200 -1.196 0.000 0.800 172 S HN 0.440 nan 8.310 nan 0.000 0.484 173 K N 1.038 121.226 120.400 -0.354 0.000 2.031 173 K HA 0.032 4.351 4.320 -0.000 0.000 0.205 173 K C 2.677 179.130 176.600 -0.244 0.000 1.049 173 K CA 1.335 57.486 56.287 -0.226 0.000 0.939 173 K CB -0.246 32.172 32.500 -0.136 0.000 0.717 173 K HN 0.455 nan 8.250 nan 0.000 0.438 174 Q N 0.164 119.803 119.800 -0.268 0.000 2.135 174 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 174 Q C 1.967 177.785 176.000 -0.304 0.000 0.981 174 Q CA 1.962 57.626 55.803 -0.232 0.000 0.856 174 Q CB -0.186 28.444 28.738 -0.180 0.000 0.902 174 Q HN 0.472 nan 8.270 nan 0.000 0.425 175 T N -3.704 110.516 114.554 -0.557 0.000 3.085 175 T HA 0.168 4.517 4.350 -0.000 0.000 0.263 175 T C 1.413 175.810 174.700 -0.505 0.000 1.127 175 T CA 0.548 62.192 62.100 -0.759 0.000 1.103 175 T CB 0.249 68.239 68.868 -1.464 0.000 0.921 175 T HN 0.459 nan 8.240 nan 0.000 0.510 176 G N 1.058 109.673 108.800 -0.309 0.000 2.162 176 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.260 176 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.260 176 G C 0.633 175.500 174.900 -0.054 0.000 0.976 176 G CA 0.433 45.463 45.100 -0.116 0.000 0.655 176 G HN 0.548 nan 8.290 nan 0.000 0.533 177 L N 0.024 121.130 121.223 -0.195 0.000 2.131 177 L HA 0.145 4.485 4.340 -0.000 0.000 0.206 177 L C 1.698 178.609 176.870 0.068 0.000 1.087 177 L CA 0.405 55.215 54.840 -0.050 0.000 0.767 177 L CB -0.238 41.706 42.059 -0.191 0.000 0.917 177 L HN 0.348 nan 8.230 nan 0.000 0.441 178 N N 0.916 119.610 118.700 -0.010 0.000 2.412 178 N HA -0.059 4.681 4.740 -0.000 0.000 0.258 178 N C 0.886 176.445 175.510 0.082 0.000 1.236 178 N CA 0.622 53.738 53.050 0.109 0.000 0.882 178 N CB 1.607 40.088 38.487 -0.011 0.000 1.066 178 N HN 0.137 nan 8.380 nan 0.000 0.465 179 A N 2.804 125.696 122.820 0.121 0.000 2.125 179 A HA -0.152 4.167 4.320 -0.000 0.000 0.219 179 A C 2.094 179.708 177.584 0.050 0.000 1.156 179 A CA 1.676 53.757 52.037 0.074 0.000 0.671 179 A CB -0.560 18.492 19.000 0.086 0.000 0.794 179 A HN 0.813 nan 8.150 nan 0.000 0.459 180 S N -1.008 114.723 115.700 0.052 0.000 2.500 180 S HA 0.067 4.536 4.470 -0.000 0.000 0.239 180 S C 0.512 175.116 174.600 0.006 0.000 0.989 180 S CA 0.727 58.946 58.200 0.031 0.000 0.951 180 S CB -0.603 62.616 63.200 0.032 0.000 0.759 180 S HN 0.166 nan 8.310 nan 0.000 0.523 181 V N 3.001 122.913 119.914 -0.004 0.000 2.483 181 V HA 0.364 4.483 4.120 -0.000 0.000 0.295 181 V C 0.300 176.381 176.094 -0.022 0.000 1.035 181 V CA -1.206 61.080 62.300 -0.022 0.000 0.896 181 V CB 1.444 33.241 31.823 -0.043 0.000 0.986 181 V HN 0.348 nan 8.190 nan 0.000 0.447 182 I N 4.022 124.576 120.570 -0.027 0.000 2.826 182 I HA 0.136 4.306 4.170 -0.000 0.000 0.295 182 I C 1.525 177.610 176.117 -0.054 0.000 1.213 182 I CA 1.725 63.005 61.300 -0.034 0.000 1.436 182 I CB -0.324 37.656 38.000 -0.033 0.000 1.348 182 I HN 1.037 nan 8.210 nan 0.000 0.570 183 G N 4.678 113.440 108.800 -0.063 0.000 2.199 183 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.254 183 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.254 183 G C 0.695 175.541 174.900 -0.091 0.000 0.982 183 G CA 0.046 45.084 45.100 -0.103 0.000 0.632 183 G HN 1.048 nan 8.290 nan 0.000 0.529 184 G N -0.004 108.771 108.800 -0.041 0.000 2.483 184 G HA2 0.562 4.522 3.960 -0.000 0.000 0.248 184 G HA3 0.562 4.522 3.960 -0.000 0.000 0.248 184 G C 1.016 175.921 174.900 0.008 0.000 1.248 184 G CA 0.991 46.090 45.100 -0.001 0.000 0.838 184 G HN 1.329 nan 8.290 nan 0.000 0.566 185 S N 0.419 116.137 115.700 0.029 0.000 2.524 185 S HA 0.316 4.786 4.470 -0.000 0.000 0.222 185 S C 0.532 175.137 174.600 0.008 0.000 1.040 185 S CA -0.138 58.065 58.200 0.005 0.000 0.915 185 S CB 0.258 63.448 63.200 -0.018 0.000 0.831 185 S HN 0.431 nan 8.310 nan 0.000 0.492 186 I N 3.157 123.747 120.570 0.033 0.000 2.499 186 I HA 0.321 4.491 4.170 -0.000 0.000 0.288 186 I C 0.101 176.301 176.117 0.139 0.000 1.048 186 I CA -0.809 60.470 61.300 -0.034 0.000 1.062 186 I CB 2.319 40.065 38.000 -0.425 0.000 1.238 186 I HN 0.128 nan 8.210 nan 0.000 0.426 187 T N 1.100 115.738 114.554 0.139 0.000 2.734 187 T HA 0.058 4.408 4.350 -0.000 0.000 0.314 187 T C 1.209 176.132 174.700 0.372 0.000 1.057 187 T CA -0.361 61.879 62.100 0.234 0.000 1.047 187 T CB 0.866 69.881 68.868 0.245 0.000 0.991 187 T HN 0.566 nan 8.240 nan 0.000 0.540 188 S N 0.238 116.149 115.700 0.352 0.000 2.370 188 S HA -0.119 4.350 4.470 -0.000 0.000 0.226 188 S C 1.498 176.332 174.600 0.390 0.000 1.033 188 S CA 1.309 59.736 58.200 0.378 0.000 1.011 188 S CB -0.912 62.443 63.200 0.258 0.000 0.852 188 S HN 0.768 nan 8.310 nan 0.000 0.457 189 Y N 2.544 122.968 120.300 0.208 0.000 2.151 189 Y HA -0.153 4.396 4.550 -0.000 0.000 0.284 189 Y C 2.344 178.338 175.900 0.155 0.000 1.166 189 Y CA 1.256 59.458 58.100 0.170 0.000 1.163 189 Y CB -1.075 37.470 38.460 0.142 0.000 0.974 189 Y HN 0.195 nan 8.280 nan 0.000 0.511 190 G N -1.087 107.675 108.800 -0.063 0.000 2.408 190 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.217 190 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.217 190 G C 1.488 176.273 174.900 -0.191 0.000 1.150 190 G CA 0.797 45.755 45.100 -0.236 0.000 0.776 190 G HN 0.433 nan 8.290 nan 0.000 0.542 191 F N 1.340 121.326 119.950 0.061 0.000 2.186 191 F HA 0.007 4.534 4.527 -0.001 0.000 0.299 191 F C 2.586 178.472 175.800 0.144 0.000 1.090 191 F CA 0.994 59.068 58.000 0.124 0.000 1.307 191 F CB -0.201 38.893 39.000 0.157 0.000 1.019 191 F HN 0.038 nan 8.300 nan 0.000 0.489 192 N N 0.529 119.403 118.700 0.290 0.000 2.120 192 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 192 N C 2.064 177.659 175.510 0.143 0.000 1.024 192 N CA 1.110 54.315 53.050 0.259 0.000 0.852 192 N CB -0.656 37.993 38.487 0.270 0.000 1.003 192 N HN 0.257 nan 8.380 nan 0.000 0.424 193 L N 0.452 121.664 121.223 -0.017 0.000 2.043 193 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 193 L C 2.363 179.289 176.870 0.093 0.000 1.075 193 L CA 1.141 55.946 54.840 -0.059 0.000 0.752 193 L CB -0.401 41.519 42.059 -0.232 0.000 0.891 193 L HN 0.178 nan 8.230 nan 0.000 0.432 194 M N -1.077 118.603 119.600 0.133 0.000 2.086 194 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 194 M C 2.334 179.017 176.300 0.639 0.000 1.067 194 M CA 1.406 56.883 55.300 0.295 0.000 1.116 194 M CB -0.379 32.226 32.600 0.008 0.000 1.348 194 M HN 0.043 nan 8.290 nan 0.000 0.407 195 V N -0.229 120.024 119.914 0.565 0.000 2.255 195 V HA -0.238 3.881 4.120 -0.000 0.000 0.247 195 V C 2.321 178.675 176.094 0.434 0.000 1.051 195 V CA 1.760 64.415 62.300 0.592 0.000 1.018 195 V CB -0.601 31.452 31.823 0.384 0.000 0.641 195 V HN 0.278 nan 8.190 nan 0.000 0.445 196 V N -0.857 119.172 119.914 0.191 0.000 2.295 196 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 196 V C 2.226 178.282 176.094 -0.063 0.000 1.049 196 V CA 2.546 64.788 62.300 -0.095 0.000 1.024 196 V CB -0.854 30.725 31.823 -0.407 0.000 0.648 196 V HN 0.678 nan 8.190 nan 0.000 0.447 197 Y N 0.390 120.677 120.300 -0.020 0.000 2.165 197 Y HA -0.355 4.195 4.550 -0.001 0.000 0.286 197 Y C 2.484 178.344 175.900 -0.066 0.000 1.155 197 Y CA 2.119 60.214 58.100 -0.008 0.000 1.164 197 Y CB -0.681 37.827 38.460 0.081 0.000 0.978 197 Y HN 0.421 nan 8.280 nan 0.000 0.513 198 Y N 0.143 120.344 120.300 -0.164 0.000 2.145 198 Y HA -0.232 4.318 4.550 -0.000 0.000 0.286 198 Y C 1.992 177.661 175.900 -0.386 0.000 1.145 198 Y CA 2.025 59.787 58.100 -0.563 0.000 1.148 198 Y CB -0.754 37.605 38.460 -0.168 0.000 0.981 198 Y HN 0.166 nan 8.280 nan 0.000 0.507 199 L N -0.563 120.425 121.223 -0.391 0.000 2.131 199 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 199 L C 2.319 178.985 176.870 -0.340 0.000 1.092 199 L CA 0.546 55.176 54.840 -0.350 0.000 0.759 199 L CB -0.612 41.444 42.059 -0.006 0.000 0.903 199 L HN 0.301 nan 8.230 nan 0.000 0.435 200 L N -0.501 120.521 121.223 -0.335 0.000 2.017 200 L HA -0.204 4.135 4.340 -0.000 0.000 0.208 200 L C 2.733 179.388 176.870 -0.358 0.000 1.073 200 L CA 1.687 56.366 54.840 -0.268 0.000 0.745 200 L CB -1.150 40.793 42.059 -0.192 0.000 0.894 200 L HN 0.310 nan 8.230 nan 0.000 0.432 201 Q N -0.470 118.994 119.800 -0.559 0.000 2.124 201 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 201 Q C 1.849 177.582 176.000 -0.446 0.000 0.977 201 Q CA 1.043 56.534 55.803 -0.520 0.000 0.850 201 Q CB -0.297 28.004 28.738 -0.728 0.000 0.901 201 Q HN 0.392 nan 8.270 nan 0.000 0.429 202 R N 0.988 121.137 120.500 -0.585 0.000 2.356 202 R HA 0.102 4.442 4.340 -0.000 0.000 0.234 202 R C -0.023 175.910 176.300 -0.612 0.000 0.929 202 R CA -0.180 55.578 56.100 -0.570 0.000 1.084 202 R CB -0.212 29.680 30.300 -0.679 0.000 1.105 202 R HN 0.319 nan 8.270 nan 0.000 0.515 203 N N 0.869 119.326 118.700 -0.406 0.000 2.714 203 N HA -0.206 4.534 4.740 -0.000 0.000 0.250 203 N C 0.271 175.627 175.510 -0.256 0.000 1.117 203 N CA 0.718 53.602 53.050 -0.276 0.000 0.719 203 N CB -1.010 37.346 38.487 -0.218 0.000 1.081 203 N HN 0.460 nan 8.380 nan 0.000 0.557 204 H N -0.407 118.589 119.070 -0.124 0.000 2.548 204 H HA 0.283 4.838 4.556 -0.000 0.000 0.265 204 H C 1.086 176.405 175.328 -0.014 0.000 0.969 204 H CA 0.603 56.614 56.048 -0.062 0.000 1.155 204 H CB 0.778 30.499 29.762 -0.070 0.000 1.394 204 H HN 0.289 nan 8.280 nan 0.000 0.570 205 L N 0.479 121.742 121.223 0.068 0.000 2.359 205 L HA 0.336 4.675 4.340 -0.000 0.000 0.256 205 L C -0.477 176.458 176.870 0.108 0.000 1.026 205 L CA -1.033 53.874 54.840 0.110 0.000 0.828 205 L CB 2.343 44.469 42.059 0.112 0.000 1.406 205 L HN -0.167 nan 8.230 nan 0.000 0.413 206 Q N 0.933 120.831 119.800 0.164 0.000 2.312 206 Q HA 0.384 4.723 4.340 -0.000 0.000 0.263 206 Q C -0.914 175.232 176.000 0.244 0.000 0.995 206 Q CA -0.706 55.188 55.803 0.151 0.000 0.853 206 Q CB 2.518 31.304 28.738 0.081 0.000 1.300 206 Q HN 0.382 nan 8.270 nan 0.000 0.448 207 F N 2.193 122.211 119.950 0.115 0.000 2.608 207 F HA 0.065 4.591 4.527 -0.000 0.000 0.380 207 F C -0.366 175.472 175.800 0.063 0.000 1.083 207 F CA 0.149 58.239 58.000 0.149 0.000 1.266 207 F CB 0.494 39.540 39.000 0.076 0.000 1.076 207 F HN 0.170 nan 8.300 nan 0.000 0.574 208 V N 8.317 127.747 119.914 -0.807 0.000 2.378 208 V HA 0.295 4.415 4.120 -0.000 0.000 0.288 208 V C -2.199 173.328 176.094 -0.946 0.000 1.016 208 V CA -1.978 59.885 62.300 -0.729 0.000 0.840 208 V CB 1.315 32.691 31.823 -0.744 0.000 0.994 208 V HN 0.625 nan 8.190 nan 0.000 0.431 209 P HA 0.182 nan 4.420 nan 0.000 0.266 209 P C -2.090 175.130 177.300 -0.134 0.000 1.215 209 P CA -1.172 61.813 63.100 -0.192 0.000 0.763 209 P CB 0.427 32.178 31.700 0.086 0.000 0.806 210 P HA -0.255 nan 4.420 nan 0.000 0.216 210 P C 1.654 179.070 177.300 0.193 0.000 1.153 210 P CA 1.865 64.947 63.100 -0.029 0.000 0.858 210 P CB -0.311 31.180 31.700 -0.347 0.000 0.789 211 S N -1.862 113.917 115.700 0.131 0.000 2.407 211 S HA -0.224 4.246 4.470 -0.000 0.000 0.235 211 S C 1.978 176.634 174.600 0.094 0.000 1.036 211 S CA 2.142 60.424 58.200 0.138 0.000 1.013 211 S CB -2.092 61.160 63.200 0.086 0.000 0.820 211 S HN 0.107 nan 8.310 nan 0.000 0.476 212 T N 1.738 116.326 114.554 0.057 0.000 3.051 212 T HA 0.205 4.555 4.350 -0.000 0.000 0.269 212 T C 0.466 175.170 174.700 0.008 0.000 1.127 212 T CA 0.398 62.508 62.100 0.017 0.000 1.107 212 T CB -0.422 68.435 68.868 -0.018 0.000 0.898 212 T HN 0.338 nan 8.240 nan 0.000 0.517 213 I N 2.801 123.393 120.570 0.037 0.000 2.322 213 I HA 0.245 4.415 4.170 -0.000 0.000 0.292 213 I C 0.006 176.099 176.117 -0.040 0.000 1.060 213 I CA -0.795 60.507 61.300 0.002 0.000 1.309 213 I CB 0.495 38.518 38.000 0.038 0.000 1.415 213 I HN 0.019 nan 8.210 nan 0.000 0.492 214 D N 6.307 126.684 120.400 -0.038 0.000 2.349 214 D HA 0.183 4.822 4.640 -0.000 0.000 0.232 214 D C 1.173 177.441 176.300 -0.054 0.000 1.071 214 D CA -0.503 53.471 54.000 -0.043 0.000 0.832 214 D CB 1.950 42.740 40.800 -0.016 0.000 1.086 214 D HN 0.313 nan 8.370 nan 0.000 0.504 215 V N 2.214 122.066 119.914 -0.103 0.000 2.688 215 V HA -0.179 3.941 4.120 -0.000 0.000 0.256 215 V C 1.898 177.981 176.094 -0.019 0.000 1.084 215 V CA 1.483 63.698 62.300 -0.142 0.000 1.103 215 V CB -0.854 30.808 31.823 -0.268 0.000 0.688 215 V HN 0.384 nan 8.190 nan 0.000 0.480 216 S N 0.374 116.081 115.700 0.012 0.000 2.402 216 S HA -0.049 4.421 4.470 -0.000 0.000 0.229 216 S C 2.053 176.702 174.600 0.082 0.000 1.021 216 S CA 1.602 59.840 58.200 0.064 0.000 0.974 216 S CB -0.271 62.950 63.200 0.035 0.000 0.800 216 S HN 0.659 nan 8.310 nan 0.000 0.484 217 R N 0.906 121.439 120.500 0.055 0.000 2.282 217 R HA 0.156 4.496 4.340 -0.000 0.000 0.195 217 R C 0.319 176.657 176.300 0.063 0.000 0.909 217 R CA 0.006 56.135 56.100 0.048 0.000 1.039 217 R CB 0.230 30.543 30.300 0.022 0.000 1.015 217 R HN 0.366 nan 8.270 nan 0.000 0.513 218 V N 0.626 120.594 119.914 0.089 0.000 2.637 218 V HA 0.142 4.262 4.120 -0.000 0.000 0.296 218 V C 0.079 176.275 176.094 0.170 0.000 1.046 218 V CA -0.785 61.581 62.300 0.109 0.000 1.066 218 V CB 1.066 32.942 31.823 0.088 0.000 0.968 218 V HN 0.010 nan 8.190 nan 0.000 0.483 219 E N 5.765 126.017 120.200 0.087 0.000 2.415 219 E HA 0.202 4.552 4.350 -0.000 0.000 0.263 219 E C -1.711 174.899 176.600 0.016 0.000 0.995 219 E CA -1.067 55.347 56.400 0.023 0.000 0.915 219 E CB 1.232 30.923 29.700 -0.014 0.000 0.951 219 E HN 0.663 nan 8.360 nan 0.000 0.449 220 P HA -0.051 nan 4.420 nan 0.000 0.219 220 P C -0.392 176.726 177.300 -0.303 0.000 1.150 220 P CA 0.696 63.578 63.100 -0.363 0.000 0.814 220 P CB 0.338 31.742 31.700 -0.493 0.000 0.787 221 L N 0.041 121.054 121.223 -0.349 0.000 2.492 221 L HA 0.448 4.788 4.340 -0.000 0.000 0.259 221 L C -2.705 174.053 176.870 -0.187 0.000 1.229 221 L CA -2.234 52.379 54.840 -0.379 0.000 0.903 221 L CB 0.866 42.487 42.059 -0.729 0.000 1.114 221 L HN -0.223 nan 8.230 nan 0.000 0.494 222 P HA 0.272 nan 4.420 nan 0.000 0.270 222 P C -2.575 174.704 177.300 -0.035 0.000 1.223 222 P CA -0.717 62.354 63.100 -0.048 0.000 0.785 222 P CB -0.290 31.399 31.700 -0.018 0.000 0.923 223 P HA 0.052 nan 4.420 nan 0.000 0.277 223 P C -0.121 177.193 177.300 0.024 0.000 1.276 223 P CA -0.134 62.976 63.100 0.016 0.000 0.788 223 P CB 0.386 32.098 31.700 0.019 0.000 1.114 224 H N 0.420 119.430 119.070 -0.099 0.000 2.722 224 H HA 0.215 4.771 4.556 -0.000 0.000 0.328 224 H C -0.951 174.294 175.328 -0.139 0.000 1.067 224 H CA -0.512 55.419 56.048 -0.196 0.000 1.447 224 H CB 0.564 30.005 29.762 -0.535 0.000 1.469 224 H HN 0.117 nan 8.280 nan 0.000 0.544 225 L N 9.237 130.129 121.223 -0.552 0.000 2.283 225 L HA 0.346 4.686 4.340 -0.000 0.000 0.281 225 L C -2.458 173.983 176.870 -0.714 0.000 1.033 225 L CA -1.843 52.721 54.840 -0.462 0.000 0.848 225 L CB 1.128 43.065 42.059 -0.202 0.000 1.226 225 L HN 0.573 nan 8.230 nan 0.000 0.429 226 P HA 0.015 nan 4.420 nan 0.000 0.265 226 P C -0.848 176.315 177.300 -0.229 0.000 1.193 226 P CA 0.167 63.024 63.100 -0.405 0.000 0.765 226 P CB 0.473 32.101 31.700 -0.120 0.000 0.823 227 L N 3.726 124.854 121.223 -0.159 0.000 2.283 227 L HA 0.244 4.584 4.340 -0.000 0.000 0.281 227 L C 0.331 177.215 176.870 0.022 0.000 1.033 227 L CA -0.454 54.293 54.840 -0.155 0.000 0.848 227 L CB 0.376 42.251 42.059 -0.307 0.000 1.226 227 L HN 0.400 nan 8.230 nan 0.000 0.429 228 E N 3.032 123.282 120.200 0.083 0.000 2.383 228 E HA 0.050 4.400 4.350 -0.000 0.000 0.264 228 E C -0.182 176.611 176.600 0.322 0.000 1.050 228 E CA -0.251 56.242 56.400 0.154 0.000 0.896 228 E CB 0.882 30.643 29.700 0.101 0.000 0.982 228 E HN 0.514 nan 8.360 nan 0.000 0.424 229 E N 3.335 123.664 120.200 0.215 0.000 2.373 229 E HA 0.146 4.496 4.350 -0.000 0.000 0.267 229 E C -2.149 174.442 176.600 -0.015 0.000 1.032 229 E CA -1.952 54.506 56.400 0.096 0.000 0.889 229 E CB 0.209 29.914 29.700 0.009 0.000 0.984 229 E HN 0.094 nan 8.360 nan 0.000 0.425 230 P HA -0.027 nan 4.420 nan 0.000 0.260 230 P C -0.195 177.044 177.300 -0.101 0.000 1.185 230 P CA 0.256 63.253 63.100 -0.173 0.000 0.763 230 P CB 0.923 32.421 31.700 -0.336 0.000 0.776 231 A N 3.033 125.827 122.820 -0.045 0.000 2.206 231 A HA -0.078 4.241 4.320 -0.000 0.000 0.211 231 A C 1.496 179.058 177.584 -0.036 0.000 1.158 231 A CA 0.862 52.881 52.037 -0.030 0.000 0.761 231 A CB -0.652 18.344 19.000 -0.007 0.000 0.801 231 A HN 0.407 nan 8.150 nan 0.000 0.473 232 D N -0.552 119.818 120.400 -0.050 0.000 2.312 232 D HA -0.046 4.593 4.640 -0.000 0.000 0.211 232 D C 0.821 177.091 176.300 -0.049 0.000 0.964 232 D CA 1.027 54.999 54.000 -0.045 0.000 0.877 232 D CB -0.080 40.688 40.800 -0.053 0.000 0.924 232 D HN 0.602 nan 8.370 nan 0.000 0.515 233 E N -1.938 118.224 120.200 -0.063 0.000 3.181 233 E HA -0.242 4.108 4.350 -0.000 0.000 0.293 233 E C 0.826 177.378 176.600 -0.080 0.000 0.936 233 E CA 0.278 56.640 56.400 -0.064 0.000 0.975 233 E CB -1.291 28.384 29.700 -0.042 0.000 1.496 233 E HN 0.418 nan 8.360 nan 0.000 0.429 234 G N -0.621 108.112 108.800 -0.111 0.000 2.136 234 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.242 234 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.242 234 G C 0.555 175.405 174.900 -0.084 0.000 0.989 234 G CA 0.543 45.566 45.100 -0.129 0.000 0.682 234 G HN 0.385 nan 8.290 nan 0.000 0.522 235 L N 0.863 122.050 121.223 -0.060 0.000 2.044 235 L HA 0.225 4.564 4.340 -0.000 0.000 0.205 235 L C 2.519 179.374 176.870 -0.025 0.000 1.075 235 L CA 2.928 57.747 54.840 -0.035 0.000 0.747 235 L CB -0.390 41.655 42.059 -0.024 0.000 0.903 235 L HN 0.470 nan 8.230 nan 0.000 0.435 236 E N -0.556 119.627 120.200 -0.028 0.000 2.077 236 E HA -0.241 4.108 4.350 -0.000 0.000 0.193 236 E C 2.281 178.868 176.600 -0.022 0.000 0.989 236 E CA 1.324 57.712 56.400 -0.019 0.000 0.800 236 E CB -0.219 29.468 29.700 -0.021 0.000 0.746 236 E HN 0.573 nan 8.360 nan 0.000 0.452 237 L N 0.420 121.616 121.223 -0.045 0.000 2.017 237 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 237 L C 2.479 179.330 176.870 -0.031 0.000 1.073 237 L CA 1.872 56.684 54.840 -0.045 0.000 0.745 237 L CB -0.859 41.134 42.059 -0.109 0.000 0.894 237 L HN 0.321 nan 8.230 nan 0.000 0.432 238 G N -1.270 107.509 108.800 -0.035 0.000 2.440 238 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 238 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 238 G C 1.441 176.342 174.900 0.002 0.000 1.154 238 G CA 1.234 46.321 45.100 -0.022 0.000 0.767 238 G HN 0.384 nan 8.290 nan 0.000 0.552 239 T N 0.777 115.340 114.554 0.015 0.000 2.708 239 T HA -0.137 4.212 4.350 -0.000 0.000 0.266 239 T C 2.410 177.161 174.700 0.085 0.000 1.037 239 T CA 1.553 63.680 62.100 0.046 0.000 1.146 239 T CB -0.274 68.624 68.868 0.049 0.000 0.865 239 T HN 0.347 nan 8.240 nan 0.000 0.435 240 Q N 0.164 120.013 119.800 0.081 0.000 2.061 240 Q HA -0.093 4.247 4.340 -0.000 0.000 0.204 240 Q C 2.600 178.653 176.000 0.089 0.000 0.984 240 Q CA 1.237 57.124 55.803 0.140 0.000 0.846 240 Q CB -0.435 28.362 28.738 0.098 0.000 0.902 240 Q HN 0.331 nan 8.270 nan 0.000 0.421 241 V N 1.125 121.048 119.914 0.014 0.000 2.295 241 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 241 V C 2.209 178.324 176.094 0.036 0.000 1.049 241 V CA 1.615 63.891 62.300 -0.040 0.000 1.024 241 V CB -0.502 31.268 31.823 -0.089 0.000 0.648 241 V HN 0.361 nan 8.190 nan 0.000 0.447 242 L N -0.081 121.170 121.223 0.047 0.000 2.083 242 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 242 L C 2.384 179.338 176.870 0.140 0.000 1.083 242 L CA 1.982 56.867 54.840 0.076 0.000 0.752 242 L CB -0.691 41.400 42.059 0.054 0.000 0.899 242 L HN 0.409 nan 8.230 nan 0.000 0.433 243 D N 0.031 120.526 120.400 0.158 0.000 2.117 243 D HA -0.250 4.389 4.640 -0.000 0.000 0.198 243 D C 2.033 178.445 176.300 0.186 0.000 0.982 243 D CA 1.023 55.168 54.000 0.241 0.000 0.828 243 D CB -0.066 40.933 40.800 0.332 0.000 0.967 243 D HN 0.204 nan 8.370 nan 0.000 0.464 244 F N 0.835 120.601 119.950 -0.307 0.000 2.091 244 F HA -0.172 4.355 4.527 -0.000 0.000 0.299 244 F C 1.939 177.742 175.800 0.004 0.000 1.103 244 F CA 1.516 59.172 58.000 -0.574 0.000 1.228 244 F CB -0.318 38.333 39.000 -0.581 0.000 0.984 244 F HN 0.001 nan 8.300 nan 0.000 0.477 245 L N -0.584 120.764 121.223 0.208 0.000 2.056 245 L HA -0.242 4.098 4.340 -0.000 0.000 0.207 245 L C 2.746 179.662 176.870 0.077 0.000 1.078 245 L CA 1.638 56.556 54.840 0.129 0.000 0.749 245 L CB -1.302 40.814 42.059 0.094 0.000 0.901 245 L HN 0.324 nan 8.230 nan 0.000 0.433 246 H N 0.152 119.260 119.070 0.064 0.000 2.290 246 H HA -0.268 4.288 4.556 -0.001 0.000 0.298 246 H C 2.287 177.654 175.328 0.065 0.000 1.087 246 H CA 2.302 58.410 56.048 0.101 0.000 1.291 246 H CB -0.205 29.662 29.762 0.174 0.000 1.369 246 H HN 0.285 nan 8.280 nan 0.000 0.492 247 F N 0.939 120.852 119.950 -0.062 0.000 2.063 247 F HA -0.277 4.249 4.527 -0.001 0.000 0.298 247 F C 2.064 177.671 175.800 -0.321 0.000 1.109 247 F CA 1.866 59.744 58.000 -0.203 0.000 1.212 247 F CB -0.805 38.069 39.000 -0.210 0.000 0.973 247 F HN 0.064 nan 8.300 nan 0.000 0.480 248 F N -0.130 119.771 119.950 -0.081 0.000 2.604 248 F HA -0.015 4.512 4.527 -0.000 0.000 0.298 248 F C 1.929 177.745 175.800 0.026 0.000 1.131 248 F CA 0.724 58.719 58.000 -0.007 0.000 1.457 248 F CB -0.502 38.496 39.000 -0.004 0.000 1.095 248 F HN 0.003 nan 8.300 nan 0.000 0.574 249 L N -1.691 119.461 121.223 -0.119 0.000 2.253 249 L HA -0.029 4.310 4.340 -0.000 0.000 0.205 249 L C 1.892 178.453 176.870 -0.515 0.000 1.078 249 L CA 0.818 55.429 54.840 -0.382 0.000 0.805 249 L CB -0.152 41.435 42.059 -0.786 0.000 0.963 249 L HN 0.151 nan 8.230 nan 0.000 0.459 250 H N -2.250 116.687 119.070 -0.223 0.000 3.266 250 H HA 0.216 4.771 4.556 -0.000 0.000 0.246 250 H C 1.303 176.459 175.328 -0.286 0.000 0.998 250 H CA 0.189 56.078 56.048 -0.265 0.000 1.152 250 H CB 0.793 30.327 29.762 -0.379 0.000 1.466 250 H HN 0.245 nan 8.280 nan 0.000 0.481 251 E N 0.496 120.502 120.200 -0.323 0.000 2.110 251 E HA 0.032 4.382 4.350 -0.000 0.000 0.193 251 E C -0.033 176.278 176.600 -0.481 0.000 0.950 251 E CA -0.266 55.916 56.400 -0.364 0.000 0.840 251 E CB 0.345 29.810 29.700 -0.392 0.000 0.809 251 E HN -0.018 nan 8.360 nan 0.000 0.465 252 F N 3.008 122.368 119.950 -0.983 0.000 2.590 252 F HA -0.035 4.492 4.527 -0.001 0.000 0.389 252 F C -0.008 175.624 175.800 -0.280 0.000 1.049 252 F CA -0.192 57.418 58.000 -0.649 0.000 1.199 252 F CB 0.368 38.998 39.000 -0.617 0.000 1.058 252 F HN -0.178 nan 8.300 nan 0.000 0.556 253 D N 4.228 124.124 120.400 -0.841 0.000 2.428 253 D HA 0.109 4.749 4.640 -0.000 0.000 0.221 253 D C 0.893 176.612 176.300 -0.968 0.000 1.123 253 D CA 0.037 53.644 54.000 -0.655 0.000 0.869 253 D CB 0.930 41.511 40.800 -0.365 0.000 1.032 253 D HN 0.552 nan 8.370 nan 0.000 0.506 254 S N 2.298 117.539 115.700 -0.765 0.000 2.474 254 S HA -0.130 4.339 4.470 -0.000 0.000 0.235 254 S C 1.122 175.600 174.600 -0.203 0.000 0.997 254 S CA 0.415 58.312 58.200 -0.505 0.000 0.949 254 S CB 0.158 63.400 63.200 0.070 0.000 0.766 254 S HN 0.345 nan 8.310 nan 0.000 0.517 255 D N 1.939 122.239 120.400 -0.167 0.000 2.234 255 D HA 0.087 4.727 4.640 -0.000 0.000 0.205 255 D C 1.613 177.860 176.300 -0.088 0.000 0.962 255 D CA 0.988 54.944 54.000 -0.072 0.000 0.855 255 D CB 0.042 40.812 40.800 -0.050 0.000 0.951 255 D HN 0.587 nan 8.370 nan 0.000 0.500 256 K N -0.837 119.464 120.400 -0.165 0.000 2.491 256 K HA 0.208 4.528 4.320 -0.000 0.000 0.211 256 K C 0.349 176.857 176.600 -0.153 0.000 1.210 256 K CA -0.060 56.148 56.287 -0.132 0.000 1.003 256 K CB 1.300 33.733 32.500 -0.113 0.000 1.009 256 K HN 0.038 nan 8.250 nan 0.000 0.577 257 Q N 0.941 120.587 119.800 -0.256 0.000 2.351 257 Q HA 0.506 4.846 4.340 -0.000 0.000 0.273 257 Q C -0.996 174.975 176.000 -0.047 0.000 1.077 257 Q CA -1.007 54.689 55.803 -0.178 0.000 0.843 257 Q CB 3.101 31.723 28.738 -0.194 0.000 1.367 257 Q HN -0.176 nan 8.270 nan 0.000 0.449 258 V N 1.995 121.934 119.914 0.042 0.000 2.448 258 V HA 0.353 4.473 4.120 -0.000 0.000 0.295 258 V C -0.291 175.716 176.094 -0.145 0.000 1.025 258 V CA -0.752 61.565 62.300 0.028 0.000 0.859 258 V CB 1.415 33.198 31.823 -0.065 0.000 0.988 258 V HN 0.628 nan 8.190 nan 0.000 0.431 259 I N 4.135 124.492 120.570 -0.355 0.000 2.581 259 I HA 0.242 4.412 4.170 -0.000 0.000 0.285 259 I C 0.601 176.438 176.117 -0.468 0.000 1.129 259 I CA 1.217 62.012 61.300 -0.842 0.000 1.397 259 I CB 0.508 38.088 38.000 -0.701 0.000 1.399 259 I HN 0.637 nan 8.210 nan 0.000 0.537 260 S N 6.357 121.792 115.700 -0.442 0.000 2.546 260 S HA 0.553 5.022 4.470 -0.000 0.000 0.272 260 S C 0.088 174.752 174.600 0.105 0.000 1.140 260 S CA -0.728 57.412 58.200 -0.100 0.000 0.920 260 S CB 1.145 64.295 63.200 -0.084 0.000 1.083 260 S HN 0.571 nan 8.310 nan 0.000 0.476 261 L N 3.858 125.142 121.223 0.102 0.000 2.728 261 L HA 0.293 4.632 4.340 -0.000 0.000 0.238 261 L C 0.918 177.954 176.870 0.276 0.000 1.143 261 L CA -0.032 54.935 54.840 0.211 0.000 0.937 261 L CB -0.386 41.730 42.059 0.095 0.000 1.225 261 L HN 0.518 nan 8.230 nan 0.000 0.507 262 N N 0.819 119.613 118.700 0.158 0.000 2.354 262 N HA 0.024 4.763 4.740 -0.000 0.000 0.179 262 N C 0.157 175.802 175.510 0.225 0.000 1.021 262 N CA 0.749 53.870 53.050 0.117 0.000 0.887 262 N CB 0.268 38.749 38.487 -0.011 0.000 0.974 262 N HN 0.232 nan 8.380 nan 0.000 0.437 263 R N -0.752 119.826 120.500 0.130 0.000 2.604 263 R HA 0.323 4.663 4.340 -0.000 0.000 0.270 263 R C -2.745 173.221 176.300 -0.558 0.000 1.052 263 R CA -1.482 54.489 56.100 -0.215 0.000 0.902 263 R CB 2.400 32.613 30.300 -0.145 0.000 1.233 263 R HN -0.036 nan 8.270 nan 0.000 0.455 264 P HA 0.240 nan 4.420 nan 0.000 0.274 264 P C 0.278 177.399 177.300 -0.297 0.000 1.237 264 P CA 0.349 62.993 63.100 -0.759 0.000 0.793 264 P CB 0.876 32.097 31.700 -0.799 0.000 0.977 265 G N 1.147 109.851 108.800 -0.159 0.000 2.593 265 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.237 265 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.237 265 G C -0.740 174.179 174.900 0.031 0.000 1.312 265 G CA -0.504 44.555 45.100 -0.067 0.000 0.896 265 G HN 0.566 nan 8.290 nan 0.000 0.574 266 I N 1.468 122.058 120.570 0.034 0.000 2.342 266 I HA 0.412 4.582 4.170 -0.000 0.000 0.291 266 I C 0.809 176.935 176.117 0.015 0.000 1.010 266 I CA -0.044 61.305 61.300 0.082 0.000 1.308 266 I CB 0.546 38.582 38.000 0.059 0.000 1.400 266 I HN 0.455 nan 8.210 nan 0.000 0.488 267 T N 5.106 119.670 114.554 0.016 0.000 2.767 267 T HA 0.366 4.716 4.350 -0.000 0.000 0.284 267 T C 0.552 175.207 174.700 -0.074 0.000 0.973 267 T CA -0.492 61.570 62.100 -0.063 0.000 0.996 267 T CB 1.057 69.862 68.868 -0.106 0.000 0.927 267 T HN 0.738 nan 8.240 nan 0.000 0.456 268 T N 0.988 115.482 114.554 -0.101 0.000 2.909 268 T HA 0.376 4.726 4.350 -0.000 0.000 0.289 268 T C 1.297 175.916 174.700 -0.135 0.000 1.005 268 T CA -0.888 61.151 62.100 -0.101 0.000 1.084 268 T CB 1.186 70.000 68.868 -0.090 0.000 0.975 268 T HN 0.457 nan 8.240 nan 0.000 0.509 269 K N 0.671 121.010 120.400 -0.101 0.000 2.103 269 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 269 K C 2.243 178.769 176.600 -0.124 0.000 1.048 269 K CA 1.623 57.858 56.287 -0.086 0.000 0.930 269 K CB -0.080 32.409 32.500 -0.018 0.000 0.716 269 K HN 0.823 nan 8.250 nan 0.000 0.444 270 E N 1.181 121.319 120.200 -0.104 0.000 2.085 270 E HA -0.242 4.107 4.350 -0.000 0.000 0.194 270 E C 1.816 178.339 176.600 -0.128 0.000 0.994 270 E CA 1.566 57.907 56.400 -0.097 0.000 0.801 270 E CB 0.112 29.768 29.700 -0.074 0.000 0.743 270 E HN 0.464 nan 8.360 nan 0.000 0.453 271 E N 0.129 120.236 120.200 -0.154 0.000 2.274 271 E HA -0.148 4.201 4.350 -0.000 0.000 0.194 271 E C 2.023 178.482 176.600 -0.235 0.000 0.996 271 E CA 0.647 56.946 56.400 -0.167 0.000 0.840 271 E CB -0.164 29.445 29.700 -0.152 0.000 0.772 271 E HN 0.342 nan 8.360 nan 0.000 0.491 272 L N 0.704 121.715 121.223 -0.355 0.000 2.567 272 L HA 0.075 4.415 4.340 -0.000 0.000 0.225 272 L C -0.085 176.555 176.870 -0.383 0.000 1.119 272 L CA 0.020 54.520 54.840 -0.567 0.000 0.871 272 L CB -0.152 41.182 42.059 -1.208 0.000 1.036 272 L HN -0.032 nan 8.230 nan 0.000 0.459 273 D N -1.040 119.236 120.400 -0.207 0.000 2.800 273 D HA -0.189 4.451 4.640 -0.000 0.000 0.232 273 D C -0.631 175.658 176.300 -0.017 0.000 1.137 273 D CA 0.636 54.589 54.000 -0.080 0.000 0.718 273 D CB -1.175 39.599 40.800 -0.043 0.000 1.084 273 D HN 0.308 nan 8.370 nan 0.000 0.432 274 W N 1.557 122.553 121.300 -0.507 0.000 1.919 274 W HA 0.284 4.944 4.660 -0.000 0.000 0.347 274 W C 0.943 177.082 176.519 -0.633 0.000 0.698 274 W CA -0.605 56.077 57.345 -1.105 0.000 2.240 274 W CB -0.544 28.359 29.460 -0.928 0.000 2.021 274 W HN -0.082 nan 8.180 nan 0.000 0.527 275 T N -3.399 111.075 114.554 -0.132 0.000 2.948 275 T HA 0.297 4.647 4.350 -0.000 0.000 0.285 275 T C 1.330 176.117 174.700 0.145 0.000 1.019 275 T CA -0.760 61.358 62.100 0.029 0.000 1.013 275 T CB 2.502 71.379 68.868 0.014 0.000 1.117 275 T HN 0.137 nan 8.240 nan 0.000 0.533 276 K N 0.331 120.804 120.400 0.122 0.000 2.103 276 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 276 K C 2.233 178.910 176.600 0.129 0.000 1.048 276 K CA 1.598 57.963 56.287 0.130 0.000 0.930 276 K CB -0.546 32.008 32.500 0.091 0.000 0.716 276 K HN 0.548 nan 8.250 nan 0.000 0.444 277 S N 0.542 116.305 115.700 0.105 0.000 2.383 277 S HA -0.167 4.303 4.470 -0.000 0.000 0.229 277 S C 1.992 176.689 174.600 0.162 0.000 1.030 277 S CA 1.297 59.565 58.200 0.112 0.000 1.002 277 S CB -0.256 62.988 63.200 0.074 0.000 0.829 277 S HN 0.549 nan 8.310 nan 0.000 0.467 278 A N 1.261 124.180 122.820 0.164 0.000 1.929 278 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 278 A C 1.992 179.750 177.584 0.289 0.000 1.176 278 A CA 1.229 53.397 52.037 0.218 0.000 0.628 278 A CB -0.463 18.661 19.000 0.206 0.000 0.816 278 A HN 0.512 nan 8.150 nan 0.000 0.444 279 E N -0.085 120.277 120.200 0.269 0.000 2.058 279 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 279 E C 1.398 178.065 176.600 0.113 0.000 0.997 279 E CA 1.358 57.847 56.400 0.148 0.000 0.801 279 E CB -0.124 29.659 29.700 0.138 0.000 0.746 279 E HN 0.525 nan 8.360 nan 0.000 0.450 280 D N -0.118 120.364 120.400 0.136 0.000 2.123 280 D HA -0.130 4.510 4.640 -0.000 0.000 0.200 280 D C 1.637 178.002 176.300 0.108 0.000 0.976 280 D CA 0.591 54.651 54.000 0.101 0.000 0.831 280 D CB -0.340 40.519 40.800 0.098 0.000 0.974 280 D HN 0.088 nan 8.370 nan 0.000 0.469 281 F N 1.875 121.845 119.950 0.034 0.000 2.069 281 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 281 F C 2.250 178.059 175.800 0.015 0.000 1.113 281 F CA 1.906 59.923 58.000 0.028 0.000 1.214 281 F CB -0.187 38.837 39.000 0.041 0.000 0.978 281 F HN -0.054 nan 8.300 nan 0.000 0.474 282 A N 0.600 123.586 122.820 0.277 0.000 1.892 282 A HA -0.286 4.033 4.320 -0.000 0.000 0.218 282 A C 2.332 179.899 177.584 -0.028 0.000 1.188 282 A CA 2.061 54.172 52.037 0.122 0.000 0.631 282 A CB -1.066 17.977 19.000 0.072 0.000 0.822 282 A HN 0.516 nan 8.150 nan 0.000 0.447 283 R N -1.271 119.212 120.500 -0.029 0.000 2.096 283 R HA -0.152 4.188 4.340 -0.000 0.000 0.240 283 R C 1.942 178.193 176.300 -0.083 0.000 1.139 283 R CA 2.015 58.085 56.100 -0.051 0.000 0.952 283 R CB -0.267 30.019 30.300 -0.024 0.000 0.854 283 R HN 0.427 nan 8.270 nan 0.000 0.436 284 M N 0.310 119.834 119.600 -0.125 0.000 2.476 284 M HA -0.060 4.420 4.480 -0.000 0.000 0.262 284 M C 1.139 177.301 176.300 -0.229 0.000 1.079 284 M CA 1.028 56.225 55.300 -0.171 0.000 1.104 284 M CB -0.647 31.835 32.600 -0.196 0.000 1.409 284 M HN 0.116 nan 8.290 nan 0.000 0.467 285 N N -0.025 118.514 118.700 -0.269 0.000 2.230 285 N HA 0.159 4.898 4.740 -0.000 0.000 0.202 285 N C 0.759 176.200 175.510 -0.115 0.000 1.119 285 N CA 0.720 53.621 53.050 -0.248 0.000 0.851 285 N CB 0.475 38.744 38.487 -0.363 0.000 0.990 285 N HN 0.451 nan 8.380 nan 0.000 0.497 286 G N 0.538 109.284 108.800 -0.090 0.000 2.137 286 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.237 286 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.237 286 G C -0.210 174.663 174.900 -0.045 0.000 1.002 286 G CA 0.133 45.199 45.100 -0.057 0.000 0.702 286 G HN 0.456 nan 8.290 nan 0.000 0.515 287 E N -0.872 119.298 120.200 -0.049 0.000 2.281 287 E HA 0.720 5.070 4.350 -0.000 0.000 0.257 287 E C -0.121 176.423 176.600 -0.093 0.000 0.971 287 E CA -1.016 55.352 56.400 -0.052 0.000 0.839 287 E CB 1.457 31.144 29.700 -0.022 0.000 1.238 287 E HN 0.123 nan 8.360 nan 0.000 0.412 288 K N 1.435 121.748 120.400 -0.145 0.000 2.723 288 K HA 0.261 4.581 4.320 -0.000 0.000 0.229 288 K C -1.581 174.759 176.600 -0.434 0.000 1.022 288 K CA -0.418 55.712 56.287 -0.262 0.000 1.045 288 K CB 0.987 33.373 32.500 -0.189 0.000 1.227 288 K HN 0.347 nan 8.250 nan 0.000 0.516 289 V N 0.524 120.140 119.914 -0.497 0.000 2.513 289 V HA 0.620 4.739 4.120 -0.000 0.000 0.299 289 V C -0.783 174.797 176.094 -0.856 0.000 1.035 289 V CA -0.541 61.364 62.300 -0.659 0.000 0.889 289 V CB 1.374 32.844 31.823 -0.589 0.000 0.988 289 V HN 0.631 nan 8.190 nan 0.000 0.440 290 H N 4.561 123.327 119.070 -0.506 0.000 2.466 290 H HA 0.481 5.036 4.556 -0.001 0.000 0.338 290 H C -1.385 173.633 175.328 -0.517 0.000 1.091 290 H CA -0.421 55.407 56.048 -0.366 0.000 1.207 290 H CB 1.751 31.415 29.762 -0.163 0.000 1.466 290 H HN 0.840 nan 8.280 nan 0.000 0.493 291 Y N 1.655 122.001 120.300 0.077 0.000 2.669 291 Y HA 0.106 4.655 4.550 -0.000 0.000 0.302 291 Y C 1.447 177.422 175.900 0.126 0.000 1.000 291 Y CA -0.481 57.651 58.100 0.054 0.000 1.222 291 Y CB 0.518 39.002 38.460 0.040 0.000 1.209 291 Y HN 0.470 nan 8.280 nan 0.000 0.571 292 Q N -0.560 119.401 119.800 0.268 0.000 2.250 292 Q HA -0.035 4.304 4.340 -0.000 0.000 0.200 292 Q C 0.331 176.570 176.000 0.398 0.000 0.941 292 Q CA 0.812 56.779 55.803 0.273 0.000 0.872 292 Q CB 0.923 29.790 28.738 0.216 0.000 0.965 292 Q HN 0.592 nan 8.270 nan 0.000 0.480 293 W N 1.259 122.650 121.300 0.152 0.000 2.330 293 W HA 0.275 4.934 4.660 -0.000 0.000 0.286 293 W C -1.452 175.169 176.519 0.170 0.000 1.019 293 W CA -1.154 56.297 57.345 0.176 0.000 1.485 293 W CB 0.700 30.216 29.460 0.093 0.000 1.457 293 W HN -0.168 nan 8.180 nan 0.000 0.359 294 C N 5.128 124.499 119.300 0.119 0.000 2.482 294 C HA 0.430 4.890 4.460 -0.000 0.000 0.378 294 C C 0.613 175.639 174.990 0.060 0.000 1.284 294 C CA 0.069 59.216 59.018 0.214 0.000 1.826 294 C CB -0.806 27.198 27.740 0.439 0.000 2.473 294 C HN 0.368 nan 8.230 nan 0.000 0.562 295 I N 2.926 123.566 120.570 0.116 0.000 2.410 295 I HA 0.304 4.474 4.170 -0.000 0.000 0.286 295 I C 0.140 176.376 176.117 0.198 0.000 1.009 295 I CA -0.119 61.199 61.300 0.030 0.000 1.111 295 I CB 1.059 39.025 38.000 -0.056 0.000 1.262 295 I HN 0.652 nan 8.210 nan 0.000 0.443 296 E N 4.545 124.836 120.200 0.152 0.000 2.331 296 E HA 0.133 4.483 4.350 -0.000 0.000 0.272 296 E C -1.060 175.609 176.600 0.115 0.000 1.036 296 E CA -0.516 56.004 56.400 0.200 0.000 0.864 296 E CB 1.202 30.887 29.700 -0.025 0.000 1.035 296 E HN 0.545 nan 8.360 nan 0.000 0.408 297 D N 4.154 124.659 120.400 0.175 0.000 2.225 297 D HA 0.147 4.787 4.640 -0.000 0.000 0.248 297 D C -1.597 174.733 176.300 0.050 0.000 1.096 297 D CA -1.987 52.106 54.000 0.155 0.000 0.863 297 D CB 1.309 42.252 40.800 0.239 0.000 1.156 297 D HN 0.209 nan 8.370 nan 0.000 0.450 298 P HA -0.135 nan 4.420 nan 0.000 0.221 298 P C 0.012 176.973 177.300 -0.565 0.000 1.145 298 P CA 1.286 64.158 63.100 -0.381 0.000 0.795 298 P CB 0.136 31.462 31.700 -0.623 0.000 0.775 299 Y N -1.679 118.681 120.300 0.099 0.000 2.494 299 Y HA 0.269 4.819 4.550 -0.000 0.000 0.271 299 Y C 1.184 177.121 175.900 0.062 0.000 1.113 299 Y CA -0.438 57.699 58.100 0.061 0.000 1.240 299 Y CB -0.018 38.461 38.460 0.032 0.000 1.268 299 Y HN -0.192 nan 8.280 nan 0.000 0.510 300 E N 2.043 122.369 120.200 0.210 0.000 2.001 300 E HA 0.148 4.497 4.350 -0.000 0.000 0.279 300 E C -0.897 175.796 176.600 0.155 0.000 1.045 300 E CA -0.488 56.012 56.400 0.166 0.000 0.833 300 E CB 1.028 30.828 29.700 0.167 0.000 1.077 300 E HN 0.129 nan 8.360 nan 0.000 0.397 301 L N 4.726 126.027 121.223 0.131 0.000 2.540 301 L HA -0.079 4.260 4.340 -0.000 0.000 0.276 301 L C 0.934 177.911 176.870 0.179 0.000 1.212 301 L CA 0.768 55.686 54.840 0.130 0.000 0.893 301 L CB -0.070 42.047 42.059 0.095 0.000 1.138 301 L HN 0.586 nan 8.230 nan 0.000 0.491 302 N N 1.862 120.722 118.700 0.267 0.000 2.828 302 N HA -0.246 4.494 4.740 -0.000 0.000 0.248 302 N C -0.397 175.309 175.510 0.327 0.000 1.044 302 N CA 1.032 54.321 53.050 0.398 0.000 0.851 302 N CB -0.944 37.704 38.487 0.268 0.000 1.136 302 N HN 0.437 nan 8.380 nan 0.000 0.572 303 L N 2.054 123.446 121.223 0.281 0.000 2.283 303 L HA 0.346 4.686 4.340 -0.000 0.000 0.287 303 L C 0.268 177.276 176.870 0.230 0.000 1.073 303 L CA -0.348 54.605 54.840 0.189 0.000 0.822 303 L CB 0.581 42.742 42.059 0.170 0.000 1.186 303 L HN 0.043 nan 8.230 nan 0.000 0.436 304 N N 3.936 122.620 118.700 -0.026 0.000 2.408 304 N HA 0.084 4.823 4.740 -0.000 0.000 0.257 304 N C 0.636 176.154 175.510 0.014 0.000 1.064 304 N CA -0.246 52.732 53.050 -0.120 0.000 0.952 304 N CB 1.360 39.510 38.487 -0.562 0.000 1.093 304 N HN 0.492 nan 8.380 nan 0.000 0.490 305 V N 2.426 122.396 119.914 0.094 0.000 3.141 305 V HA 0.051 4.171 4.120 -0.000 0.000 0.265 305 V C 1.590 177.717 176.094 0.055 0.000 1.126 305 V CA 1.561 63.911 62.300 0.084 0.000 1.141 305 V CB -0.534 31.323 31.823 0.058 0.000 0.743 305 V HN 0.782 nan 8.190 nan 0.000 0.492 306 G N 0.622 109.462 108.800 0.066 0.000 4.098 306 G HA2 0.138 4.098 3.960 -0.000 0.000 0.300 306 G HA3 0.138 4.098 3.960 -0.000 0.000 0.300 306 G C 1.207 176.146 174.900 0.064 0.000 1.187 306 G CA -0.271 44.896 45.100 0.110 0.000 0.964 306 G HN 0.556 nan 8.290 nan 0.000 0.559 307 R N -0.801 119.702 120.500 0.005 0.000 2.280 307 R HA 0.087 4.427 4.340 -0.000 0.000 0.207 307 R C 0.479 176.809 176.300 0.050 0.000 1.043 307 R CA 0.537 56.611 56.100 -0.043 0.000 1.006 307 R CB 0.016 30.259 30.300 -0.094 0.000 0.885 307 R HN 0.080 nan 8.270 nan 0.000 0.467 308 N N 0.840 119.564 118.700 0.039 0.000 2.214 308 N HA 0.101 4.841 4.740 -0.000 0.000 0.214 308 N C -0.759 174.725 175.510 -0.044 0.000 1.132 308 N CA 0.029 53.091 53.050 0.020 0.000 0.856 308 N CB 1.475 39.970 38.487 0.013 0.000 1.020 308 N HN -0.037 nan 8.380 nan 0.000 0.509 309 V N 2.386 122.284 119.914 -0.026 0.000 2.304 309 V HA 0.138 4.257 4.120 -0.000 0.000 0.262 309 V C 0.934 176.943 176.094 -0.143 0.000 1.061 309 V CA -0.588 61.683 62.300 -0.049 0.000 0.872 309 V CB 0.067 31.913 31.823 0.040 0.000 1.077 309 V HN 0.200 nan 8.190 nan 0.000 0.480 310 T N 3.474 117.851 114.554 -0.296 0.000 2.766 310 T HA 0.248 4.598 4.350 -0.000 0.000 0.295 310 T C -1.473 173.124 174.700 -0.171 0.000 1.024 310 T CA -1.487 60.331 62.100 -0.470 0.000 1.018 310 T CB 0.926 69.546 68.868 -0.414 0.000 1.002 310 T HN 0.338 nan 8.240 nan 0.000 0.532 311 P HA -0.107 nan 4.420 nan 0.000 0.216 311 P C 1.467 178.763 177.300 -0.006 0.000 1.154 311 P CA 0.783 63.877 63.100 -0.009 0.000 0.865 311 P CB -0.079 31.626 31.700 0.008 0.000 0.789 312 L N -0.919 120.282 121.223 -0.036 0.000 2.131 312 L HA -0.043 4.296 4.340 -0.000 0.000 0.206 312 L C 2.166 179.039 176.870 0.005 0.000 1.087 312 L CA 1.763 56.593 54.840 -0.016 0.000 0.767 312 L CB -1.250 40.782 42.059 -0.045 0.000 0.917 312 L HN -0.110 nan 8.230 nan 0.000 0.441 313 K N -0.755 119.622 120.400 -0.038 0.000 2.148 313 K HA -0.188 4.132 4.320 -0.000 0.000 0.204 313 K C 2.187 178.815 176.600 0.047 0.000 1.050 313 K CA 0.930 57.220 56.287 0.005 0.000 0.942 313 K CB -0.016 32.446 32.500 -0.063 0.000 0.724 313 K HN 0.059 nan 8.250 nan 0.000 0.446 314 R N 1.748 122.251 120.500 0.004 0.000 2.073 314 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 314 R C 1.341 177.647 176.300 0.009 0.000 1.134 314 R CA 2.151 58.246 56.100 -0.009 0.000 0.952 314 R CB -0.358 29.986 30.300 0.073 0.000 0.850 314 R HN 0.091 nan 8.270 nan 0.000 0.433 315 D N -0.110 120.323 120.400 0.055 0.000 2.123 315 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 315 D C 1.711 178.070 176.300 0.099 0.000 0.992 315 D CA 1.397 55.437 54.000 0.067 0.000 0.833 315 D CB -0.476 40.365 40.800 0.068 0.000 0.954 315 D HN 0.275 nan 8.370 nan 0.000 0.455 316 F N 0.969 120.902 119.950 -0.028 0.000 2.069 316 F HA -0.235 4.291 4.527 -0.000 0.000 0.298 316 F C 2.228 178.055 175.800 0.044 0.000 1.113 316 F CA 0.885 58.888 58.000 0.005 0.000 1.214 316 F CB -0.159 38.848 39.000 0.011 0.000 0.978 316 F HN -0.076 nan 8.300 nan 0.000 0.474 317 L N 1.251 122.490 121.223 0.026 0.000 1.990 317 L HA -0.255 4.085 4.340 -0.000 0.000 0.213 317 L C 2.613 179.437 176.870 -0.076 0.000 1.072 317 L CA 2.302 57.080 54.840 -0.104 0.000 0.755 317 L CB -1.000 40.879 42.059 -0.300 0.000 0.889 317 L HN 0.230 nan 8.230 nan 0.000 0.432 318 R N -0.517 119.935 120.500 -0.080 0.000 2.091 318 R HA -0.223 4.117 4.340 -0.000 0.000 0.238 318 R C 2.580 178.869 176.300 -0.020 0.000 1.136 318 R CA 1.779 57.860 56.100 -0.032 0.000 0.959 318 R CB -0.497 29.803 30.300 -0.001 0.000 0.856 318 R HN 0.446 nan 8.270 nan 0.000 0.437 319 R N -0.456 120.004 120.500 -0.066 0.000 2.091 319 R HA -0.183 4.156 4.340 -0.000 0.000 0.238 319 R C 1.978 178.177 176.300 -0.169 0.000 1.136 319 R CA 1.803 57.825 56.100 -0.130 0.000 0.959 319 R CB -0.441 29.743 30.300 -0.192 0.000 0.856 319 R HN 0.473 nan 8.270 nan 0.000 0.437 320 H N 0.471 119.451 119.070 -0.150 0.000 2.423 320 H HA -0.044 4.511 4.556 -0.001 0.000 0.297 320 H C 2.211 177.698 175.328 0.264 0.000 1.075 320 H CA 1.401 57.428 56.048 -0.035 0.000 1.342 320 H CB 0.020 29.624 29.762 -0.263 0.000 1.395 320 H HN 0.224 nan 8.280 nan 0.000 0.530 321 L N 0.508 121.922 121.223 0.318 0.000 2.083 321 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 321 L C 2.383 179.312 176.870 0.099 0.000 1.083 321 L CA 1.178 56.145 54.840 0.211 0.000 0.752 321 L CB -0.231 41.910 42.059 0.137 0.000 0.899 321 L HN 0.249 nan 8.230 nan 0.000 0.433 322 E N 0.067 120.309 120.200 0.070 0.000 2.047 322 E HA -0.260 4.090 4.350 -0.000 0.000 0.191 322 E C 2.133 178.768 176.600 0.058 0.000 0.987 322 E CA 1.076 57.509 56.400 0.054 0.000 0.799 322 E CB -0.029 29.694 29.700 0.038 0.000 0.752 322 E HN 0.301 nan 8.360 nan 0.000 0.449 323 K N 0.689 121.126 120.400 0.062 0.000 2.147 323 K HA -0.110 4.209 4.320 -0.000 0.000 0.205 323 K C 2.026 178.689 176.600 0.105 0.000 1.049 323 K CA 1.026 57.353 56.287 0.068 0.000 0.936 323 K CB -0.044 32.481 32.500 0.040 0.000 0.722 323 K HN 0.088 nan 8.250 nan 0.000 0.446 324 A N 1.145 124.044 122.820 0.131 0.000 2.015 324 A HA -0.135 4.184 4.320 -0.000 0.000 0.219 324 A C 1.917 179.479 177.584 -0.037 0.000 1.163 324 A CA 1.158 53.213 52.037 0.030 0.000 0.646 324 A CB -0.323 18.534 19.000 -0.239 0.000 0.806 324 A HN 0.319 nan 8.150 nan 0.000 0.448 325 R N -0.021 120.477 120.500 -0.003 0.000 2.092 325 R HA -0.083 4.256 4.340 -0.000 0.000 0.231 325 R C 1.203 177.511 176.300 0.013 0.000 1.119 325 R CA 1.490 57.595 56.100 0.007 0.000 0.970 325 R CB -0.321 30.006 30.300 0.045 0.000 0.864 325 R HN 0.471 nan 8.270 nan 0.000 0.440 326 D N -0.453 119.962 120.400 0.024 0.000 2.183 326 D HA -0.087 4.552 4.640 -0.000 0.000 0.205 326 D C 1.646 177.956 176.300 0.018 0.000 0.962 326 D CA 1.559 55.572 54.000 0.022 0.000 0.849 326 D CB -0.282 40.534 40.800 0.027 0.000 0.978 326 D HN 0.297 nan 8.370 nan 0.000 0.488 327 T N -2.208 112.361 114.554 0.025 0.000 3.163 327 T HA 0.491 4.841 4.350 -0.000 0.000 0.252 327 T C 0.978 175.684 174.700 0.010 0.000 1.056 327 T CA 0.179 62.294 62.100 0.026 0.000 0.947 327 T CB -0.221 68.680 68.868 0.055 0.000 1.016 327 T HN 0.196 nan 8.240 nan 0.000 0.554 328 A N 1.243 124.057 122.820 -0.011 0.000 2.312 328 A HA -0.022 4.297 4.320 -0.000 0.000 0.286 328 A C 0.838 178.393 177.584 -0.049 0.000 1.425 328 A CA 0.465 52.480 52.037 -0.037 0.000 0.748 328 A CB -2.483 16.500 19.000 -0.029 0.000 1.126 328 A HN 1.117 nan 8.150 nan 0.000 0.368 329 L N -1.574 119.598 121.223 -0.085 0.000 3.597 329 L HA -0.244 4.095 4.340 -0.000 0.000 0.440 329 L C 1.003 177.956 176.870 0.139 0.000 1.277 329 L CA 1.676 56.476 54.840 -0.067 0.000 0.852 329 L CB -2.013 39.947 42.059 -0.165 0.000 1.708 329 L HN 1.384 nan 8.230 nan 0.000 0.885 330 L N -1.599 119.706 121.223 0.137 0.000 3.717 330 L HA -0.303 4.037 4.340 -0.000 0.000 0.414 330 L C 1.238 178.123 176.870 0.024 0.000 1.228 330 L CA 1.050 55.948 54.840 0.097 0.000 0.918 330 L CB -1.886 40.246 42.059 0.122 0.000 1.865 330 L HN 0.754 nan 8.230 nan 0.000 0.922 331 T N -4.427 110.127 114.554 -0.000 0.000 3.040 331 T HA 0.519 4.868 4.350 -0.000 0.000 0.266 331 T C 0.653 175.338 174.700 -0.024 0.000 1.005 331 T CA -0.180 61.901 62.100 -0.033 0.000 0.906 331 T CB 0.579 69.410 68.868 -0.060 0.000 1.082 331 T HN 0.290 nan 8.240 nan 0.000 0.531 332 I N 0.000 120.564 120.570 -0.009 0.000 2.984 332 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 332 I CA 0.000 61.295 61.300 -0.008 0.000 1.566 332 I CB 0.000 37.996 38.000 -0.006 0.000 1.214 332 I HN 0.000 nan 8.210 nan 0.000 0.494