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 2xur_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKFTVEREHL LKPLQQVSGP LGGRPTLPIL GNLLLQVADG TLSLTGTDLE DATA SEQUENCE MEMVARVALV QPHEPGATTV PARKFFDICR GLPEGAEIAV QLEGERMLVR DATA SEQUENCE SGRSRFSLST LPAADFPNLD DWQSEVEFTL PQATMKRLIE ATQFSMAHQD DATA SEQUENCE VRYYLNCMLF ETEGEELRTV ATDGHRLAVC SMPIGQSLPS HSVIVPRKGV DATA SEQUENCE IELMRMLDGG DNPLRVQIGS NNIRAHVGDF IFTSKLVDGR FPDYRRVLPK DATA SEQUENCE NPDKHLEAGC DLLKQAFARA AILSNEKFRG VRLYVSENQL KITANNPEQE DATA SEQUENCE EAEEILDVTY SGAEMEIGFN VSYVLDVLNA LKCENVRMML TDSVSSVQIE DATA SEQUENCE DAASQSAAYV VMPMRL 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 0.000 176.317 176.300 0.028 0.000 1.140 1 M CA 0.000 55.330 55.300 0.050 0.000 0.988 1 M CB 0.000 32.636 32.600 0.060 0.000 1.302 2 K N 5.068 125.515 120.400 0.078 0.000 2.525 2 K HA 0.757 5.080 4.320 0.005 0.000 0.254 2 K C -2.262 174.436 176.600 0.164 0.000 0.934 2 K CA -0.442 55.854 56.287 0.015 0.000 0.802 2 K CB 1.911 34.418 32.500 0.011 0.000 1.295 2 K HN 0.590 nan 8.250 nan 0.000 0.433 3 F N -1.107 118.893 119.950 0.084 0.000 2.668 3 F HA 0.575 5.097 4.527 -0.009 0.000 0.309 3 F C -1.397 174.461 175.800 0.096 0.000 1.117 3 F CA -0.805 57.257 58.000 0.103 0.000 0.951 3 F CB 2.140 41.185 39.000 0.074 0.000 1.323 3 F HN 0.193 nan 8.300 nan 0.000 0.451 4 T N 2.579 117.328 114.554 0.325 0.000 2.881 4 T HA 0.631 4.984 4.350 0.005 0.000 0.291 4 T C -1.070 173.803 174.700 0.289 0.000 0.990 4 T CA -0.650 61.589 62.100 0.231 0.000 0.976 4 T CB 1.373 70.317 68.868 0.128 0.000 0.970 4 T HN 1.011 nan 8.240 nan 0.000 0.438 5 V N 0.637 120.736 119.914 0.307 0.000 2.876 5 V HA 0.659 4.782 4.120 0.005 0.000 0.312 5 V C -0.228 175.947 176.094 0.134 0.000 1.085 5 V CA -1.311 61.130 62.300 0.235 0.000 0.945 5 V CB 1.805 33.781 31.823 0.255 0.000 1.017 5 V HN 0.802 nan 8.190 nan 0.000 0.428 6 E N 2.111 122.336 120.200 0.042 0.000 2.442 6 E HA 0.080 4.433 4.350 0.005 0.000 0.262 6 E C 1.030 177.585 176.600 -0.075 0.000 1.004 6 E CA 0.193 56.537 56.400 -0.094 0.000 0.928 6 E CB 0.910 30.393 29.700 -0.361 0.000 0.937 6 E HN 0.720 nan 8.360 nan 0.000 0.446 7 R N 2.516 122.978 120.500 -0.063 0.000 2.113 7 R HA -0.279 4.064 4.340 0.005 0.000 0.244 7 R C 1.235 177.512 176.300 -0.038 0.000 1.142 7 R CA 2.125 58.197 56.100 -0.048 0.000 0.953 7 R CB 0.068 30.333 30.300 -0.059 0.000 0.860 7 R HN 0.485 nan 8.270 nan 0.000 0.438 8 E N -0.873 119.280 120.200 -0.080 0.000 2.208 8 E HA -0.101 4.252 4.350 0.005 0.000 0.193 8 E C 1.647 178.321 176.600 0.124 0.000 0.988 8 E CA 1.247 57.650 56.400 0.004 0.000 0.828 8 E CB -0.167 29.535 29.700 0.003 0.000 0.763 8 E HN 0.639 nan 8.360 nan 0.000 0.478 9 H N -0.888 118.207 119.070 0.042 0.000 2.518 9 H HA -0.047 4.511 4.556 0.004 0.000 0.289 9 H C 1.348 176.707 175.328 0.052 0.000 1.051 9 H CA 0.191 56.265 56.048 0.044 0.000 1.280 9 H CB 0.308 30.091 29.762 0.034 0.000 1.380 9 H HN 0.042 nan 8.280 nan 0.000 0.566 10 L N -0.310 121.009 121.223 0.160 0.000 2.357 10 L HA 0.000 4.344 4.340 0.005 0.000 0.211 10 L C 1.747 178.686 176.870 0.114 0.000 1.075 10 L CA 0.792 55.704 54.840 0.120 0.000 0.830 10 L CB -0.161 41.957 42.059 0.097 0.000 0.996 10 L HN 0.137 nan 8.230 nan 0.000 0.467 11 L N 0.173 121.463 121.223 0.111 0.000 2.017 11 L HA -0.210 4.133 4.340 0.005 0.000 0.208 11 L C 2.585 179.550 176.870 0.158 0.000 1.073 11 L CA 1.951 56.884 54.840 0.156 0.000 0.745 11 L CB -0.934 41.190 42.059 0.109 0.000 0.894 11 L HN 0.337 nan 8.230 nan 0.000 0.432 12 K N -0.465 120.018 120.400 0.138 0.000 2.009 12 K HA -0.168 4.155 4.320 0.005 0.000 0.210 12 K C -0.436 176.211 176.600 0.077 0.000 1.049 12 K CA 1.739 58.101 56.287 0.125 0.000 0.929 12 K CB -1.201 31.420 32.500 0.203 0.000 0.714 12 K HN 0.186 nan 8.250 nan 0.000 0.440 13 P HA -0.174 nan 4.420 nan 0.000 0.216 13 P C 1.403 178.694 177.300 -0.016 0.000 1.153 13 P CA 0.943 64.118 63.100 0.125 0.000 0.858 13 P CB 0.033 31.831 31.700 0.165 0.000 0.789 14 L N -0.352 120.880 121.223 0.014 0.000 2.042 14 L HA -0.196 4.148 4.340 0.005 0.000 0.210 14 L C 2.363 179.045 176.870 -0.313 0.000 1.076 14 L CA 1.844 56.651 54.840 -0.054 0.000 0.749 14 L CB -1.822 40.307 42.059 0.118 0.000 0.893 14 L HN 0.091 nan 8.230 nan 0.000 0.432 15 Q N -1.374 118.241 119.800 -0.308 0.000 2.061 15 Q HA -0.246 4.098 4.340 0.005 0.000 0.204 15 Q C 2.149 177.949 176.000 -0.333 0.000 0.984 15 Q CA 1.428 56.995 55.803 -0.394 0.000 0.846 15 Q CB -0.094 28.524 28.738 -0.200 0.000 0.902 15 Q HN 0.539 nan 8.270 nan 0.000 0.421 16 Q N -0.192 119.407 119.800 -0.335 0.000 2.083 16 Q HA -0.074 4.269 4.340 0.005 0.000 0.198 16 Q C 2.178 178.027 176.000 -0.251 0.000 0.969 16 Q CA 0.944 56.509 55.803 -0.398 0.000 0.838 16 Q CB -0.279 28.002 28.738 -0.763 0.000 0.900 16 Q HN 0.221 nan 8.270 nan 0.000 0.436 17 V N 0.844 120.645 119.914 -0.189 0.000 2.871 17 V HA -0.107 4.016 4.120 0.005 0.000 0.256 17 V C 1.861 177.912 176.094 -0.070 0.000 1.082 17 V CA 1.247 63.497 62.300 -0.083 0.000 1.105 17 V CB -0.105 31.694 31.823 -0.040 0.000 0.713 17 V HN 0.259 nan 8.190 nan 0.000 0.473 18 S N 0.236 115.845 115.700 -0.151 0.000 2.489 18 S HA 0.003 4.476 4.470 0.005 0.000 0.228 18 S C 2.071 176.607 174.600 -0.107 0.000 0.995 18 S CA 0.755 58.872 58.200 -0.139 0.000 0.934 18 S CB -0.061 62.979 63.200 -0.267 0.000 0.771 18 S HN 0.673 nan 8.310 nan 0.000 0.522 19 G N 3.102 111.828 108.800 -0.123 0.000 2.513 19 G HA2 -0.198 3.765 3.960 0.005 0.000 0.219 19 G HA3 -0.198 3.765 3.960 0.005 0.000 0.219 19 G C -0.903 173.980 174.900 -0.029 0.000 1.160 19 G CA 0.883 45.926 45.100 -0.094 0.000 0.767 19 G HN 0.458 nan 8.290 nan 0.000 0.571 20 P HA 0.108 nan 4.420 nan 0.000 0.233 20 P C 0.318 177.639 177.300 0.035 0.000 1.167 20 P CA -0.053 63.083 63.100 0.061 0.000 0.770 20 P CB 0.063 31.830 31.700 0.111 0.000 0.837 21 L N 0.453 121.689 121.223 0.021 0.000 2.534 21 L HA 0.196 4.539 4.340 0.005 0.000 0.271 21 L C 1.421 178.300 176.870 0.016 0.000 1.178 21 L CA 0.414 55.268 54.840 0.023 0.000 0.907 21 L CB -0.573 41.502 42.059 0.026 0.000 1.164 21 L HN -0.037 nan 8.230 nan 0.000 0.482 22 G N 2.173 110.982 108.800 0.014 0.000 2.503 22 G HA2 0.383 4.346 3.960 0.005 0.000 0.257 22 G HA3 0.383 4.346 3.960 0.005 0.000 0.257 22 G C 0.927 175.835 174.900 0.013 0.000 1.214 22 G CA -0.047 45.060 45.100 0.010 0.000 0.839 22 G HN 0.836 nan 8.290 nan 0.000 0.559 23 G N 0.245 109.053 108.800 0.013 0.000 2.464 23 G HA2 0.062 4.025 3.960 0.005 0.000 0.217 23 G HA3 0.062 4.025 3.960 0.005 0.000 0.217 23 G C 0.961 175.870 174.900 0.014 0.000 1.138 23 G CA 0.321 45.430 45.100 0.015 0.000 0.793 23 G HN 0.804 nan 8.290 nan 0.000 0.539 24 R N 0.900 121.406 120.500 0.010 0.000 2.494 24 R HA 0.445 4.788 4.340 0.005 0.000 0.284 24 R C -2.786 173.516 176.300 0.004 0.000 1.525 24 R CA -1.490 54.615 56.100 0.008 0.000 1.460 24 R CB 0.894 31.198 30.300 0.008 0.000 1.134 24 R HN -0.027 nan 8.270 nan 0.000 0.592 25 P HA 0.048 nan 4.420 nan 0.000 0.272 25 P C 0.251 177.546 177.300 -0.008 0.000 1.223 25 P CA -0.243 62.854 63.100 -0.004 0.000 0.784 25 P CB 1.370 33.069 31.700 -0.001 0.000 0.923 26 T N -1.734 112.810 114.554 -0.017 0.000 3.107 26 T HA 0.264 4.617 4.350 0.005 0.000 0.249 26 T C 0.388 175.076 174.700 -0.020 0.000 1.096 26 T CA 0.074 62.164 62.100 -0.018 0.000 1.012 26 T CB -0.142 68.712 68.868 -0.022 0.000 0.977 26 T HN 0.121 nan 8.240 nan 0.000 0.527 27 L N 1.762 122.971 121.223 -0.023 0.000 2.455 27 L HA 0.513 4.856 4.340 0.005 0.000 0.264 27 L C -1.944 174.920 176.870 -0.010 0.000 0.968 27 L CA -2.208 52.618 54.840 -0.023 0.000 0.827 27 L CB 2.421 44.452 42.059 -0.046 0.000 1.317 27 L HN -0.264 nan 8.230 nan 0.000 0.407 28 P HA -0.084 nan 4.420 nan 0.000 0.216 28 P C 1.682 179.001 177.300 0.032 0.000 1.150 28 P CA 1.175 64.285 63.100 0.018 0.000 0.837 28 P CB 0.621 32.334 31.700 0.021 0.000 0.786 29 I N -1.305 119.284 120.570 0.031 0.000 3.001 29 I HA -0.134 4.040 4.170 0.005 0.000 0.268 29 I C 1.570 177.735 176.117 0.081 0.000 1.267 29 I CA 0.471 61.818 61.300 0.078 0.000 1.472 29 I CB -0.163 37.892 38.000 0.092 0.000 1.089 29 I HN -0.201 nan 8.210 nan 0.000 0.468 30 L N 0.529 121.754 121.223 0.003 0.000 2.465 30 L HA 0.021 4.364 4.340 0.005 0.000 0.224 30 L C 2.208 179.108 176.870 0.049 0.000 1.145 30 L CA 1.271 56.103 54.840 -0.012 0.000 0.834 30 L CB -1.186 40.842 42.059 -0.051 0.000 0.944 30 L HN 0.250 nan 8.230 nan 0.000 0.451 31 G N -1.822 107.016 108.800 0.063 0.000 3.141 31 G HA2 -0.017 3.946 3.960 0.005 0.000 0.218 31 G HA3 -0.017 3.946 3.960 0.005 0.000 0.218 31 G C 0.533 175.494 174.900 0.103 0.000 1.170 31 G CA -0.166 44.977 45.100 0.071 0.000 0.769 31 G HN 0.275 nan 8.290 nan 0.000 0.546 32 N N -0.342 118.447 118.700 0.149 0.000 2.432 32 N HA 0.605 5.349 4.740 0.005 0.000 0.292 32 N C -0.719 174.915 175.510 0.207 0.000 1.193 32 N CA -0.559 52.586 53.050 0.159 0.000 0.878 32 N CB 1.845 40.422 38.487 0.150 0.000 1.252 32 N HN -0.100 nan 8.380 nan 0.000 0.520 33 L N 1.030 122.308 121.223 0.091 0.000 2.322 33 L HA 0.467 4.810 4.340 0.005 0.000 0.279 33 L C -0.339 176.388 176.870 -0.239 0.000 1.036 33 L CA -1.098 53.735 54.840 -0.011 0.000 0.807 33 L CB 1.193 43.272 42.059 0.034 0.000 1.226 33 L HN 0.254 nan 8.230 nan 0.000 0.433 34 L N 3.829 124.685 121.223 -0.612 0.000 2.319 34 L HA 0.365 4.709 4.340 0.005 0.000 0.280 34 L C -0.823 175.847 176.870 -0.333 0.000 1.099 34 L CA 0.130 54.553 54.840 -0.695 0.000 0.828 34 L CB 0.586 41.904 42.059 -1.235 0.000 1.150 34 L HN 0.315 nan 8.230 nan 0.000 0.442 35 L N 5.495 126.592 121.223 -0.210 0.000 2.322 35 L HA 0.575 4.918 4.340 0.005 0.000 0.281 35 L C -0.432 176.384 176.870 -0.090 0.000 1.014 35 L CA -0.133 54.639 54.840 -0.114 0.000 0.815 35 L CB 1.612 43.652 42.059 -0.032 0.000 1.247 35 L HN 0.671 nan 8.230 nan 0.000 0.421 36 Q N 2.440 122.188 119.800 -0.086 0.000 2.285 36 Q HA 0.603 4.947 4.340 0.005 0.000 0.269 36 Q C -1.337 174.632 176.000 -0.051 0.000 1.030 36 Q CA -0.643 55.127 55.803 -0.055 0.000 0.788 36 Q CB 3.192 31.890 28.738 -0.066 0.000 1.266 36 Q HN 0.300 nan 8.270 nan 0.000 0.438 37 V N 1.665 121.579 119.914 -0.000 0.000 2.370 37 V HA 0.882 5.005 4.120 0.005 0.000 0.283 37 V C -0.520 175.579 176.094 0.010 0.000 1.023 37 V CA -0.336 61.963 62.300 -0.001 0.000 0.857 37 V CB 1.189 33.073 31.823 0.101 0.000 0.985 37 V HN 0.846 nan 8.190 nan 0.000 0.443 38 A N 3.174 125.981 122.820 -0.022 0.000 2.540 38 A HA 0.649 4.972 4.320 0.005 0.000 0.297 38 A C -0.403 177.172 177.584 -0.014 0.000 1.056 38 A CA -0.731 51.305 52.037 -0.001 0.000 0.700 38 A CB 0.960 19.954 19.000 -0.010 0.000 1.280 38 A HN 0.940 nan 8.150 nan 0.000 0.398 39 D N 1.347 121.760 120.400 0.021 0.000 2.720 39 D HA -0.005 4.639 4.640 0.005 0.000 0.229 39 D C 1.161 177.458 176.300 -0.004 0.000 1.198 39 D CA 2.594 56.609 54.000 0.024 0.000 0.639 39 D CB -1.323 39.481 40.800 0.006 0.000 1.003 39 D HN 2.263 nan 8.370 nan 0.000 0.411 40 G N -1.317 107.468 108.800 -0.025 0.000 2.155 40 G HA2 -0.296 3.667 3.960 0.005 0.000 0.257 40 G HA3 -0.296 3.667 3.960 0.005 0.000 0.257 40 G C 0.334 175.082 174.900 -0.254 0.000 0.983 40 G CA 0.457 45.453 45.100 -0.173 0.000 0.676 40 G HN 0.687 nan 8.290 nan 0.000 0.528 41 T N 0.085 114.512 114.554 -0.212 0.000 2.881 41 T HA 0.552 4.905 4.350 0.005 0.000 0.290 41 T C -0.512 174.072 174.700 -0.194 0.000 1.000 41 T CA -0.498 61.498 62.100 -0.174 0.000 0.978 41 T CB 2.188 70.993 68.868 -0.106 0.000 0.997 41 T HN 0.748 nan 8.240 nan 0.000 0.443 42 L N 3.283 124.367 121.223 -0.231 0.000 2.265 42 L HA 0.652 4.995 4.340 0.005 0.000 0.288 42 L C -0.265 176.494 176.870 -0.185 0.000 1.058 42 L CA 0.309 54.984 54.840 -0.275 0.000 0.809 42 L CB 0.811 42.554 42.059 -0.526 0.000 1.179 42 L HN 0.544 nan 8.230 nan 0.000 0.429 43 S N 5.658 121.272 115.700 -0.143 0.000 2.475 43 S HA 0.761 5.234 4.470 0.005 0.000 0.298 43 S C -0.705 173.832 174.600 -0.104 0.000 1.119 43 S CA -0.475 57.665 58.200 -0.099 0.000 1.085 43 S CB 1.222 64.376 63.200 -0.076 0.000 1.028 43 S HN 0.484 nan 8.310 nan 0.000 0.489 44 L N 2.582 123.763 121.223 -0.068 0.000 2.341 44 L HA 0.617 4.960 4.340 0.005 0.000 0.278 44 L C 0.030 176.870 176.870 -0.050 0.000 1.005 44 L CA -0.234 54.571 54.840 -0.060 0.000 0.818 44 L CB 1.943 43.999 42.059 -0.005 0.000 1.259 44 L HN 0.533 nan 8.230 nan 0.000 0.418 45 T N 1.196 115.689 114.554 -0.101 0.000 2.848 45 T HA 0.754 5.107 4.350 0.005 0.000 0.285 45 T C -0.083 174.648 174.700 0.051 0.000 0.995 45 T CA -0.780 61.300 62.100 -0.034 0.000 0.970 45 T CB 1.829 70.672 68.868 -0.041 0.000 0.976 45 T HN 0.755 nan 8.240 nan 0.000 0.441 46 G N 0.598 109.488 108.800 0.149 0.000 2.482 46 G HA2 0.701 4.664 3.960 0.005 0.000 0.317 46 G HA3 0.701 4.664 3.960 0.005 0.000 0.317 46 G C -1.013 174.019 174.900 0.221 0.000 1.241 46 G CA -0.579 44.651 45.100 0.217 0.000 0.967 46 G HN 0.764 nan 8.290 nan 0.000 0.482 47 T N -1.053 113.613 114.554 0.186 0.000 2.821 47 T HA 0.467 4.820 4.350 0.005 0.000 0.306 47 T C -1.085 173.613 174.700 -0.003 0.000 1.313 47 T CA -0.272 61.864 62.100 0.060 0.000 1.012 47 T CB 2.003 70.866 68.868 -0.010 0.000 1.298 47 T HN 0.597 nan 8.240 nan 0.000 0.502 48 D N 2.225 122.613 120.400 -0.021 0.000 2.563 48 D HA 0.238 4.882 4.640 0.005 0.000 0.237 48 D C 1.152 177.416 176.300 -0.060 0.000 1.282 48 D CA -0.285 53.694 54.000 -0.035 0.000 0.816 48 D CB 0.073 40.869 40.800 -0.006 0.000 1.066 48 D HN 0.343 nan 8.370 nan 0.000 0.501 49 L N -0.331 120.841 121.223 -0.085 0.000 4.549 49 L HA -0.266 4.077 4.340 0.005 0.000 0.390 49 L C 1.261 178.086 176.870 -0.074 0.000 0.767 49 L CA 1.752 56.538 54.840 -0.089 0.000 2.397 49 L CB -1.407 40.601 42.059 -0.086 0.000 1.175 49 L HN 0.256 nan 8.230 nan 0.000 0.633 50 E N -1.035 119.127 120.200 -0.064 0.000 2.330 50 E HA 0.262 4.615 4.350 0.005 0.000 0.200 50 E C 0.828 177.368 176.600 -0.100 0.000 0.922 50 E CA 0.820 57.175 56.400 -0.074 0.000 0.935 50 E CB 0.349 30.018 29.700 -0.052 0.000 0.917 50 E HN 0.599 nan 8.360 nan 0.000 0.491 51 M N -0.150 119.407 119.600 -0.072 0.000 2.658 51 M HA 0.568 5.051 4.480 0.005 0.000 0.295 51 M C -1.062 175.196 176.300 -0.071 0.000 1.248 51 M CA -0.809 54.413 55.300 -0.131 0.000 0.843 51 M CB 2.689 35.273 32.600 -0.026 0.000 1.749 51 M HN -0.229 nan 8.290 nan 0.000 0.464 52 E N 2.248 122.363 120.200 -0.142 0.000 2.343 52 E HA 0.608 4.961 4.350 0.005 0.000 0.278 52 E C -2.268 174.365 176.600 0.055 0.000 0.910 52 E CA -0.768 55.626 56.400 -0.010 0.000 0.757 52 E CB 2.910 32.603 29.700 -0.012 0.000 1.218 52 E HN 0.826 nan 8.360 nan 0.000 0.435 53 M N 4.226 123.916 119.600 0.150 0.000 2.326 53 M HA 0.432 4.916 4.480 0.005 0.000 0.306 53 M C -2.168 174.190 176.300 0.096 0.000 1.054 53 M CA -0.616 54.792 55.300 0.180 0.000 0.922 53 M CB 1.893 34.596 32.600 0.171 0.000 1.632 53 M HN 0.329 nan 8.290 nan 0.000 0.436 54 V N 3.903 123.866 119.914 0.081 0.000 2.555 54 V HA 0.994 5.118 4.120 0.005 0.000 0.302 54 V C -0.484 175.668 176.094 0.097 0.000 1.038 54 V CA -0.685 61.646 62.300 0.052 0.000 0.887 54 V CB 1.448 33.278 31.823 0.012 0.000 0.991 54 V HN 0.989 nan 8.190 nan 0.000 0.434 55 A N 4.331 127.210 122.820 0.099 0.000 2.414 55 A HA 0.973 5.296 4.320 0.005 0.000 0.306 55 A C -0.789 176.841 177.584 0.077 0.000 1.054 55 A CA -0.810 51.347 52.037 0.200 0.000 0.724 55 A CB 1.774 20.935 19.000 0.269 0.000 1.267 55 A HN 0.734 nan 8.150 nan 0.000 0.418 56 R N -0.060 120.469 120.500 0.047 0.000 2.637 56 R HA 0.703 5.046 4.340 0.005 0.000 0.291 56 R C -1.343 174.930 176.300 -0.046 0.000 0.963 56 R CA -0.471 55.613 56.100 -0.026 0.000 0.901 56 R CB 2.039 32.316 30.300 -0.040 0.000 1.160 56 R HN 0.439 nan 8.270 nan 0.000 0.457 57 V N 2.142 122.008 119.914 -0.080 0.000 2.482 57 V HA 0.581 4.705 4.120 0.005 0.000 0.295 57 V C -0.327 175.698 176.094 -0.115 0.000 1.026 57 V CA -1.244 61.002 62.300 -0.091 0.000 0.856 57 V CB 1.823 33.596 31.823 -0.084 0.000 1.001 57 V HN 0.939 nan 8.190 nan 0.000 0.424 58 A N 6.165 128.920 122.820 -0.107 0.000 2.488 58 A HA 0.601 4.924 4.320 0.005 0.000 0.249 58 A C -0.232 177.300 177.584 -0.085 0.000 1.083 58 A CA 0.025 52.003 52.037 -0.100 0.000 0.768 58 A CB -0.019 18.929 19.000 -0.086 0.000 1.017 58 A HN 0.830 nan 8.150 nan 0.000 0.496 59 L N 4.077 125.230 121.223 -0.116 0.000 2.264 59 L HA 0.230 4.574 4.340 0.005 0.000 0.287 59 L C 1.100 177.983 176.870 0.022 0.000 1.039 59 L CA -0.364 54.424 54.840 -0.086 0.000 0.829 59 L CB 1.236 43.124 42.059 -0.284 0.000 1.211 59 L HN 0.646 nan 8.230 nan 0.000 0.427 60 V N 3.399 123.357 119.914 0.073 0.000 3.052 60 V HA 0.030 4.154 4.120 0.005 0.000 0.254 60 V C 1.094 177.268 176.094 0.133 0.000 1.100 60 V CA 0.883 63.240 62.300 0.096 0.000 1.112 60 V CB 0.188 32.056 31.823 0.076 0.000 0.738 60 V HN 0.802 nan 8.190 nan 0.000 0.469 61 Q N 0.992 120.889 119.800 0.162 0.000 2.193 61 Q HA 0.381 4.724 4.340 0.005 0.000 0.246 61 Q C -2.396 173.742 176.000 0.231 0.000 0.959 61 Q CA -2.146 53.753 55.803 0.161 0.000 0.904 61 Q CB 0.197 29.020 28.738 0.142 0.000 1.238 61 Q HN 0.210 nan 8.270 nan 0.000 0.469 62 P HA -0.111 nan 4.420 nan 0.000 0.264 62 P C -1.090 176.287 177.300 0.129 0.000 1.179 62 P CA 0.837 63.961 63.100 0.039 0.000 0.763 62 P CB 0.341 32.046 31.700 0.008 0.000 0.806 63 H N -0.143 118.969 119.070 0.070 0.000 3.017 63 H HA 0.565 5.121 4.556 0.000 0.000 0.346 63 H C -1.179 174.190 175.328 0.067 0.000 1.286 63 H CA -0.969 55.136 56.048 0.094 0.000 1.120 63 H CB 1.661 31.498 29.762 0.124 0.000 1.860 63 H HN 0.331 nan 8.280 nan 0.000 0.542 64 E N 1.592 121.913 120.200 0.201 0.000 2.256 64 E HA 0.293 4.646 4.350 0.005 0.000 0.268 64 E C -2.735 173.960 176.600 0.159 0.000 0.877 64 E CA -2.118 54.352 56.400 0.117 0.000 0.757 64 E CB 3.175 32.913 29.700 0.063 0.000 1.183 64 E HN 0.372 nan 8.360 nan 0.000 0.418 65 P HA 0.299 nan 4.420 nan 0.000 0.272 65 P C -0.134 177.211 177.300 0.075 0.000 1.230 65 P CA 0.035 63.201 63.100 0.110 0.000 0.788 65 P CB 1.083 32.833 31.700 0.084 0.000 0.949 66 G N -0.890 107.946 108.800 0.061 0.000 2.337 66 G HA2 0.529 4.492 3.960 0.005 0.000 0.298 66 G HA3 0.529 4.492 3.960 0.005 0.000 0.298 66 G C -2.189 172.730 174.900 0.032 0.000 1.335 66 G CA -0.000 45.124 45.100 0.041 0.000 0.875 66 G HN 0.611 nan 8.290 nan 0.000 0.579 67 A N -1.127 121.701 122.820 0.015 0.000 2.572 67 A HA 1.032 5.355 4.320 0.005 0.000 0.295 67 A C -0.332 177.242 177.584 -0.017 0.000 1.072 67 A CA 0.381 52.414 52.037 -0.007 0.000 0.691 67 A CB 1.914 20.901 19.000 -0.022 0.000 1.291 67 A HN 2.143 nan 8.150 nan 0.000 0.404 68 T N -0.534 113.995 114.554 -0.041 0.000 2.693 68 T HA 0.745 5.099 4.350 0.005 0.000 0.304 68 T C -1.192 173.457 174.700 -0.085 0.000 1.471 68 T CA 0.409 62.482 62.100 -0.046 0.000 0.993 68 T CB 1.519 70.363 68.868 -0.040 0.000 1.554 68 T HN 1.981 nan 8.240 nan 0.000 0.496 69 T N -0.707 113.810 114.554 -0.062 0.000 2.893 69 T HA 0.788 5.141 4.350 0.005 0.000 0.293 69 T C -1.188 173.483 174.700 -0.049 0.000 1.027 69 T CA -0.702 61.357 62.100 -0.070 0.000 0.988 69 T CB 1.496 70.370 68.868 0.011 0.000 1.043 69 T HN 0.649 nan 8.240 nan 0.000 0.461 70 V N 3.254 123.130 119.914 -0.065 0.000 2.876 70 V HA 0.660 4.783 4.120 0.005 0.000 0.312 70 V C -2.685 173.418 176.094 0.016 0.000 1.085 70 V CA -2.747 59.512 62.300 -0.069 0.000 0.945 70 V CB 2.360 34.037 31.823 -0.243 0.000 1.017 70 V HN 0.851 nan 8.190 nan 0.000 0.428 71 P HA 0.096 nan 4.420 nan 0.000 0.260 71 P C 0.315 177.700 177.300 0.143 0.000 1.185 71 P CA 0.637 63.791 63.100 0.090 0.000 0.763 71 P CB 0.788 32.538 31.700 0.084 0.000 0.776 72 A N 5.043 127.947 122.820 0.140 0.000 1.845 72 A HA -0.224 4.099 4.320 0.005 0.000 0.215 72 A C 2.256 179.964 177.584 0.206 0.000 1.195 72 A CA 1.776 53.915 52.037 0.170 0.000 0.616 72 A CB -0.880 18.186 19.000 0.110 0.000 0.832 72 A HN 0.402 nan 8.150 nan 0.000 0.443 73 R N -0.003 120.592 120.500 0.158 0.000 2.081 73 R HA -0.081 4.263 4.340 0.005 0.000 0.235 73 R C 2.046 178.443 176.300 0.161 0.000 1.131 73 R CA 2.126 58.328 56.100 0.170 0.000 0.960 73 R CB -0.362 30.007 30.300 0.114 0.000 0.856 73 R HN 0.532 nan 8.270 nan 0.000 0.436 74 K N -0.955 119.525 120.400 0.133 0.000 2.025 74 K HA -0.115 4.208 4.320 0.005 0.000 0.207 74 K C 1.882 178.548 176.600 0.109 0.000 1.049 74 K CA 1.557 57.898 56.287 0.091 0.000 0.933 74 K CB -0.346 32.207 32.500 0.089 0.000 0.714 74 K HN 0.096 nan 8.250 nan 0.000 0.438 75 F N 0.907 120.869 119.950 0.019 0.000 2.102 75 F HA -0.184 4.358 4.527 0.025 0.000 0.298 75 F C 1.956 177.782 175.800 0.044 0.000 1.105 75 F CA 0.972 58.978 58.000 0.010 0.000 1.239 75 F CB -0.518 38.518 39.000 0.059 0.000 0.991 75 F HN -0.036 nan 8.300 nan 0.000 0.474 76 F N 1.641 121.533 119.950 -0.096 0.000 2.069 76 F HA -0.234 4.294 4.527 0.003 0.000 0.298 76 F C 2.216 177.899 175.800 -0.196 0.000 1.113 76 F CA 2.258 60.143 58.000 -0.191 0.000 1.214 76 F CB -1.011 37.948 39.000 -0.068 0.000 0.978 76 F HN -0.041 nan 8.300 nan 0.000 0.474 77 D N 0.456 120.702 120.400 -0.257 0.000 2.149 77 D HA -0.185 4.458 4.640 0.005 0.000 0.198 77 D C 2.502 178.580 176.300 -0.370 0.000 0.990 77 D CA 1.692 55.483 54.000 -0.348 0.000 0.839 77 D CB -0.448 40.263 40.800 -0.149 0.000 0.948 77 D HN 0.370 nan 8.370 nan 0.000 0.460 78 I N 0.266 120.612 120.570 -0.374 0.000 2.142 78 I HA -0.308 3.865 4.170 0.005 0.000 0.240 78 I C 2.453 178.304 176.117 -0.442 0.000 1.078 78 I CA 0.769 61.762 61.300 -0.511 0.000 1.343 78 I CB -0.194 37.391 38.000 -0.691 0.000 1.046 78 I HN 0.085 nan 8.210 nan 0.000 0.405 79 C N 0.156 119.163 119.300 -0.487 0.000 2.413 79 C HA -0.186 4.277 4.460 0.005 0.000 0.276 79 C C 2.967 177.746 174.990 -0.353 0.000 1.236 79 C CA 1.019 59.786 59.018 -0.418 0.000 1.735 79 C CB -1.194 26.230 27.740 -0.527 0.000 2.031 79 C HN 0.437 nan 8.230 nan 0.000 0.474 80 R N 0.606 120.809 120.500 -0.496 0.000 2.092 80 R HA -0.071 4.272 4.340 0.005 0.000 0.231 80 R C 2.192 178.325 176.300 -0.277 0.000 1.119 80 R CA 1.636 57.465 56.100 -0.451 0.000 0.970 80 R CB -0.534 29.328 30.300 -0.729 0.000 0.864 80 R HN 0.577 nan 8.270 nan 0.000 0.440 81 G N 0.293 108.937 108.800 -0.259 0.000 2.534 81 G HA2 -0.010 3.953 3.960 0.005 0.000 0.217 81 G HA3 -0.010 3.953 3.960 0.005 0.000 0.217 81 G C 0.494 175.336 174.900 -0.096 0.000 1.128 81 G CA -0.010 44.995 45.100 -0.158 0.000 0.784 81 G HN 0.112 nan 8.290 nan 0.000 0.542 82 L N 1.536 122.695 121.223 -0.107 0.000 2.453 82 L HA 0.282 4.625 4.340 0.005 0.000 0.261 82 L C -1.600 175.243 176.870 -0.045 0.000 1.179 82 L CA -1.902 52.910 54.840 -0.046 0.000 0.813 82 L CB 0.911 42.948 42.059 -0.036 0.000 1.110 82 L HN -0.019 nan 8.230 nan 0.000 0.466 83 P HA 0.010 nan 4.420 nan 0.000 0.274 83 P C -0.698 176.584 177.300 -0.030 0.000 1.237 83 P CA -0.485 62.601 63.100 -0.023 0.000 0.793 83 P CB 0.496 32.190 31.700 -0.010 0.000 0.977 84 E N 0.705 120.887 120.200 -0.030 0.000 2.608 84 E HA 0.006 4.359 4.350 0.005 0.000 0.259 84 E C 1.125 177.706 176.600 -0.031 0.000 0.951 84 E CA 1.179 57.561 56.400 -0.031 0.000 0.945 84 E CB -0.549 29.138 29.700 -0.022 0.000 0.916 84 E HN 0.802 nan 8.360 nan 0.000 0.477 85 G N 2.648 111.421 108.800 -0.045 0.000 2.189 85 G HA2 -0.373 3.590 3.960 0.005 0.000 0.267 85 G HA3 -0.373 3.590 3.960 0.005 0.000 0.267 85 G C 0.416 175.290 174.900 -0.043 0.000 0.975 85 G CA 0.345 45.413 45.100 -0.053 0.000 0.644 85 G HN 0.945 nan 8.290 nan 0.000 0.537 86 A N -0.248 122.554 122.820 -0.030 0.000 2.555 86 A HA 0.488 4.812 4.320 0.005 0.000 0.233 86 A C 0.465 178.044 177.584 -0.008 0.000 1.060 86 A CA 1.185 53.215 52.037 -0.012 0.000 0.759 86 A CB 0.273 19.270 19.000 -0.004 0.000 0.995 86 A HN 0.678 nan 8.150 nan 0.000 0.506 87 E N 0.674 120.881 120.200 0.011 0.000 2.174 87 E HA 0.539 4.892 4.350 0.005 0.000 0.282 87 E C -0.949 175.681 176.600 0.050 0.000 0.992 87 E CA -0.071 56.347 56.400 0.030 0.000 0.803 87 E CB 0.635 30.355 29.700 0.033 0.000 1.090 87 E HN 0.438 nan 8.360 nan 0.000 0.396 88 I N 3.429 124.045 120.570 0.077 0.000 2.354 88 I HA 0.466 4.640 4.170 0.005 0.000 0.286 88 I C -0.334 175.837 176.117 0.091 0.000 1.007 88 I CA -0.966 60.392 61.300 0.095 0.000 1.167 88 I CB 1.639 39.708 38.000 0.114 0.000 1.320 88 I HN 0.490 nan 8.210 nan 0.000 0.458 89 A N 6.953 129.800 122.820 0.044 0.000 2.260 89 A HA 0.739 5.062 4.320 0.005 0.000 0.308 89 A C -0.477 177.040 177.584 -0.110 0.000 1.254 89 A CA -0.412 51.610 52.037 -0.025 0.000 0.874 89 A CB 0.853 19.850 19.000 -0.005 0.000 1.153 89 A HN 0.478 nan 8.150 nan 0.000 0.527 90 V N 2.893 122.606 119.914 -0.335 0.000 2.555 90 V HA 0.599 4.722 4.120 0.005 0.000 0.302 90 V C -0.094 175.777 176.094 -0.370 0.000 1.038 90 V CA -0.404 61.623 62.300 -0.454 0.000 0.887 90 V CB 1.560 32.801 31.823 -0.970 0.000 0.991 90 V HN 1.007 nan 8.190 nan 0.000 0.434 91 Q N 2.472 122.145 119.800 -0.212 0.000 2.353 91 Q HA 0.544 4.888 4.340 0.005 0.000 0.275 91 Q C -2.043 173.902 176.000 -0.092 0.000 1.029 91 Q CA -0.838 54.886 55.803 -0.132 0.000 0.848 91 Q CB 2.583 31.272 28.738 -0.080 0.000 1.390 91 Q HN 0.532 nan 8.270 nan 0.000 0.401 92 L N 2.396 123.580 121.223 -0.064 0.000 2.350 92 L HA 0.381 4.724 4.340 0.005 0.000 0.275 92 L C -0.637 176.217 176.870 -0.027 0.000 1.099 92 L CA 0.548 55.363 54.840 -0.042 0.000 0.808 92 L CB 1.263 43.304 42.059 -0.029 0.000 1.149 92 L HN 0.607 nan 8.230 nan 0.000 0.442 93 E N 2.345 122.533 120.200 -0.021 0.000 2.621 93 E HA 0.484 4.837 4.350 0.005 0.000 0.263 93 E C 0.408 177.003 176.600 -0.009 0.000 1.033 93 E CA 0.007 56.399 56.400 -0.013 0.000 0.778 93 E CB 1.062 30.754 29.700 -0.013 0.000 1.426 93 E HN 0.791 nan 8.360 nan 0.000 0.394 94 G N 3.073 111.869 108.800 -0.007 0.000 2.591 94 G HA2 -0.357 3.606 3.960 0.005 0.000 0.298 94 G HA3 -0.357 3.606 3.960 0.005 0.000 0.298 94 G C 0.455 175.352 174.900 -0.004 0.000 1.195 94 G CA 0.138 45.236 45.100 -0.003 0.000 0.989 94 G HN 0.533 nan 8.290 nan 0.000 0.551 95 E N 2.155 122.354 120.200 -0.001 0.000 2.419 95 E HA 0.176 4.529 4.350 0.005 0.000 0.190 95 E C 1.137 177.737 176.600 -0.001 0.000 1.040 95 E CA 0.294 56.694 56.400 -0.000 0.000 0.900 95 E CB 0.229 29.931 29.700 0.004 0.000 1.054 95 E HN 0.511 nan 8.360 nan 0.000 0.462 96 R N 0.431 120.929 120.500 -0.004 0.000 2.740 96 R HA 0.541 4.884 4.340 0.005 0.000 0.282 96 R C -0.167 176.123 176.300 -0.016 0.000 0.969 96 R CA -0.721 55.377 56.100 -0.003 0.000 0.918 96 R CB 2.091 32.395 30.300 0.006 0.000 1.175 96 R HN 0.024 nan 8.270 nan 0.000 0.464 97 M N 3.084 122.670 119.600 -0.024 0.000 2.238 97 M HA 0.327 4.810 4.480 0.005 0.000 0.350 97 M C -1.237 175.053 176.300 -0.017 0.000 1.138 97 M CA -0.670 54.600 55.300 -0.050 0.000 1.040 97 M CB 0.865 33.402 32.600 -0.106 0.000 1.639 97 M HN 0.293 nan 8.290 nan 0.000 0.451 98 L N 5.812 127.023 121.223 -0.021 0.000 2.295 98 L HA 0.560 4.903 4.340 0.005 0.000 0.285 98 L C -0.937 175.951 176.870 0.030 0.000 1.035 98 L CA -0.561 54.289 54.840 0.018 0.000 0.806 98 L CB 1.649 43.708 42.059 -0.001 0.000 1.214 98 L HN 0.518 nan 8.230 nan 0.000 0.426 99 V N 5.324 125.317 119.914 0.131 0.000 2.448 99 V HA 0.566 4.689 4.120 0.005 0.000 0.295 99 V C -0.142 176.088 176.094 0.228 0.000 1.025 99 V CA -0.756 61.660 62.300 0.192 0.000 0.859 99 V CB 2.127 34.132 31.823 0.303 0.000 0.988 99 V HN 0.734 nan 8.190 nan 0.000 0.431 100 R N 2.507 123.092 120.500 0.142 0.000 2.673 100 R HA 0.787 5.130 4.340 0.005 0.000 0.281 100 R C -1.088 175.271 176.300 0.097 0.000 0.991 100 R CA -0.539 55.623 56.100 0.103 0.000 0.896 100 R CB 2.267 32.588 30.300 0.035 0.000 1.201 100 R HN 0.654 nan 8.270 nan 0.000 0.457 101 S N 1.003 116.759 115.700 0.094 0.000 2.626 101 S HA 0.531 5.004 4.470 0.005 0.000 0.275 101 S C 0.261 174.890 174.600 0.048 0.000 1.175 101 S CA 0.371 58.615 58.200 0.073 0.000 0.982 101 S CB 1.215 64.474 63.200 0.098 0.000 1.093 101 S HN 0.977 nan 8.310 nan 0.000 0.472 102 G N 5.025 113.841 108.800 0.027 0.000 2.651 102 G HA2 -0.284 3.679 3.960 0.005 0.000 0.315 102 G HA3 -0.284 3.679 3.960 0.005 0.000 0.315 102 G C 0.134 175.032 174.900 -0.002 0.000 1.258 102 G CA 0.549 45.656 45.100 0.012 0.000 1.002 102 G HN 0.806 nan 8.290 nan 0.000 0.551 103 R N 0.769 121.261 120.500 -0.013 0.000 2.694 103 R HA 0.375 4.719 4.340 0.005 0.000 0.334 103 R C -0.151 176.106 176.300 -0.071 0.000 1.143 103 R CA 0.254 56.332 56.100 -0.037 0.000 1.073 103 R CB 0.478 30.758 30.300 -0.034 0.000 1.366 103 R HN 0.283 nan 8.270 nan 0.000 0.577 104 S N 1.316 116.977 115.700 -0.064 0.000 2.462 104 S HA 0.400 4.874 4.470 0.005 0.000 0.294 104 S C -0.210 174.232 174.600 -0.264 0.000 1.144 104 S CA -0.610 57.492 58.200 -0.164 0.000 1.088 104 S CB 2.141 65.359 63.200 0.031 0.000 1.009 104 S HN 0.274 nan 8.310 nan 0.000 0.484 105 R N 2.221 122.375 120.500 -0.578 0.000 2.575 105 R HA 0.599 4.942 4.340 0.005 0.000 0.293 105 R C -2.029 173.827 176.300 -0.740 0.000 0.983 105 R CA -0.535 55.304 56.100 -0.434 0.000 0.887 105 R CB 0.909 31.081 30.300 -0.214 0.000 1.184 105 R HN 0.579 nan 8.270 nan 0.000 0.445 106 F N 0.802 120.762 119.950 0.018 0.000 2.556 106 F HA 0.403 4.931 4.527 0.002 0.000 0.314 106 F C 0.040 175.853 175.800 0.022 0.000 1.106 106 F CA -0.810 57.206 58.000 0.027 0.000 0.911 106 F CB 2.490 41.520 39.000 0.049 0.000 1.190 106 F HN 0.292 nan 8.300 nan 0.000 0.448 107 S N 3.427 119.237 115.700 0.183 0.000 2.552 107 S HA 0.788 5.261 4.470 0.005 0.000 0.314 107 S C -1.496 173.168 174.600 0.105 0.000 1.099 107 S CA -0.424 57.840 58.200 0.105 0.000 1.070 107 S CB 0.419 63.650 63.200 0.052 0.000 0.998 107 S HN 0.463 nan 8.310 nan 0.000 0.474 108 L N 4.192 125.462 121.223 0.078 0.000 2.346 108 L HA 0.588 4.931 4.340 0.005 0.000 0.274 108 L C 0.537 177.424 176.870 0.029 0.000 1.007 108 L CA -0.284 54.592 54.840 0.060 0.000 0.818 108 L CB 1.763 43.850 42.059 0.048 0.000 1.284 108 L HN 0.859 nan 8.230 nan 0.000 0.424 109 S N 0.965 116.683 115.700 0.030 0.000 2.585 109 S HA 0.599 5.072 4.470 0.005 0.000 0.273 109 S C 0.142 174.748 174.600 0.010 0.000 1.339 109 S CA -0.375 57.838 58.200 0.021 0.000 1.028 109 S CB 0.915 64.132 63.200 0.027 0.000 0.906 109 S HN 0.646 nan 8.310 nan 0.000 0.528 110 T N 1.891 116.449 114.554 0.006 0.000 2.907 110 T HA 0.619 4.972 4.350 0.005 0.000 0.292 110 T C -0.910 173.798 174.700 0.013 0.000 1.043 110 T CA -0.664 61.435 62.100 -0.002 0.000 1.003 110 T CB 0.729 69.589 68.868 -0.014 0.000 1.084 110 T HN 0.626 nan 8.240 nan 0.000 0.483 111 L N 3.879 125.116 121.223 0.022 0.000 2.354 111 L HA 0.532 4.875 4.340 0.005 0.000 0.269 111 L C -2.194 174.699 176.870 0.039 0.000 1.005 111 L CA -2.576 52.285 54.840 0.036 0.000 0.819 111 L CB 2.426 44.518 42.059 0.055 0.000 1.311 111 L HN 0.411 nan 8.230 nan 0.000 0.423 112 P HA 0.016 nan 4.420 nan 0.000 0.267 112 P C 0.186 177.520 177.300 0.057 0.000 1.205 112 P CA -0.101 63.020 63.100 0.036 0.000 0.765 112 P CB 1.125 32.844 31.700 0.032 0.000 0.828 113 A N 4.360 127.203 122.820 0.037 0.000 2.024 113 A HA -0.175 4.149 4.320 0.005 0.000 0.220 113 A C 2.187 179.822 177.584 0.085 0.000 1.164 113 A CA 2.018 54.081 52.037 0.044 0.000 0.643 113 A CB -1.403 17.592 19.000 -0.008 0.000 0.806 113 A HN 0.570 nan 8.150 nan 0.000 0.451 114 A N -0.356 122.501 122.820 0.062 0.000 2.024 114 A HA -0.160 4.163 4.320 0.005 0.000 0.220 114 A C 1.467 179.095 177.584 0.074 0.000 1.164 114 A CA 1.730 53.803 52.037 0.059 0.000 0.643 114 A CB -0.343 18.679 19.000 0.038 0.000 0.806 114 A HN 0.451 nan 8.150 nan 0.000 0.451 115 D N -1.916 118.537 120.400 0.088 0.000 2.339 115 D HA 0.141 4.784 4.640 0.005 0.000 0.217 115 D C -0.245 176.120 176.300 0.108 0.000 1.050 115 D CA -0.107 53.940 54.000 0.077 0.000 0.856 115 D CB -0.102 40.733 40.800 0.058 0.000 0.922 115 D HN 0.392 nan 8.370 nan 0.000 0.518 116 F N 2.343 122.293 119.950 0.001 0.000 2.467 116 F HA 0.238 4.770 4.527 0.008 0.000 0.362 116 F C -1.771 174.029 175.800 0.000 0.000 1.090 116 F CA -2.142 55.859 58.000 0.001 0.000 1.202 116 F CB 0.595 39.596 39.000 0.001 0.000 1.113 116 F HN -0.227 nan 8.300 nan 0.000 0.541 117 P HA 0.044 nan 4.420 nan 0.000 0.267 117 P C -1.391 175.831 177.300 -0.131 0.000 1.200 117 P CA 0.091 63.017 63.100 -0.290 0.000 0.772 117 P CB 0.437 31.892 31.700 -0.408 0.000 0.855 118 N N 2.092 120.767 118.700 -0.041 0.000 2.354 118 N HA 0.309 5.052 4.740 0.005 0.000 0.287 118 N C -1.383 174.132 175.510 0.007 0.000 1.016 118 N CA -0.566 52.497 53.050 0.022 0.000 0.871 118 N CB 0.366 38.874 38.487 0.037 0.000 1.299 118 N HN 0.029 nan 8.380 nan 0.000 0.482 119 L N 2.427 123.667 121.223 0.028 0.000 2.416 119 L HA 0.230 4.573 4.340 0.005 0.000 0.272 119 L C 0.732 177.647 176.870 0.075 0.000 1.161 119 L CA 0.223 55.087 54.840 0.041 0.000 0.845 119 L CB 0.190 42.284 42.059 0.060 0.000 1.119 119 L HN 0.543 nan 8.230 nan 0.000 0.464 120 D N 1.755 122.201 120.400 0.077 0.000 2.400 120 D HA -0.028 4.615 4.640 0.005 0.000 0.238 120 D C -0.398 176.000 176.300 0.163 0.000 1.157 120 D CA -0.046 54.008 54.000 0.089 0.000 0.889 120 D CB 0.705 41.547 40.800 0.069 0.000 1.199 120 D HN 0.446 nan 8.370 nan 0.000 0.436 121 D N 0.848 121.304 120.400 0.094 0.000 2.399 121 D HA 0.195 4.838 4.640 0.005 0.000 0.241 121 D C 0.040 176.436 176.300 0.160 0.000 1.133 121 D CA 0.197 54.221 54.000 0.040 0.000 0.890 121 D CB 0.553 41.337 40.800 -0.027 0.000 1.201 121 D HN 0.307 nan 8.370 nan 0.000 0.432 122 W N 0.061 121.342 121.300 -0.032 0.000 3.074 122 W HA 0.379 5.041 4.660 0.004 0.000 0.332 122 W C -1.305 175.195 176.519 -0.032 0.000 1.253 122 W CA -0.836 56.490 57.345 -0.031 0.000 1.180 122 W CB 0.615 30.053 29.460 -0.038 0.000 1.445 122 W HN 0.054 nan 8.180 nan 0.000 0.573 123 Q N 1.677 121.611 119.800 0.224 0.000 2.309 123 Q HA 0.347 4.690 4.340 0.005 0.000 0.264 123 Q C -0.391 175.734 176.000 0.209 0.000 1.008 123 Q CA -0.742 55.092 55.803 0.053 0.000 0.853 123 Q CB 2.521 31.288 28.738 0.048 0.000 1.314 123 Q HN 0.411 nan 8.270 nan 0.000 0.448 124 S N 1.170 116.892 115.700 0.036 0.000 2.523 124 S HA 0.134 4.608 4.470 0.005 0.000 0.275 124 S C 0.446 175.086 174.600 0.065 0.000 1.281 124 S CA -0.065 58.209 58.200 0.124 0.000 1.050 124 S CB 0.453 63.652 63.200 -0.002 0.000 0.937 124 S HN 0.535 nan 8.310 nan 0.000 0.492 125 E N 2.569 122.804 120.200 0.058 0.000 2.399 125 E HA 0.225 4.579 4.350 0.005 0.000 0.205 125 E C -0.678 175.891 176.600 -0.052 0.000 0.906 125 E CA 0.132 56.525 56.400 -0.012 0.000 0.998 125 E CB 0.949 30.620 29.700 -0.049 0.000 1.002 125 E HN 0.430 nan 8.360 nan 0.000 0.501 126 V N 1.576 121.463 119.914 -0.046 0.000 2.760 126 V HA 0.373 4.496 4.120 0.005 0.000 0.309 126 V C -0.882 175.224 176.094 0.019 0.000 1.077 126 V CA -0.730 61.559 62.300 -0.019 0.000 0.910 126 V CB 2.099 33.875 31.823 -0.079 0.000 1.008 126 V HN 0.034 nan 8.190 nan 0.000 0.424 127 E N 3.831 124.063 120.200 0.054 0.000 2.366 127 E HA 0.785 5.138 4.350 0.005 0.000 0.278 127 E C -1.742 174.908 176.600 0.083 0.000 0.923 127 E CA -0.618 55.750 56.400 -0.055 0.000 0.761 127 E CB 3.131 32.798 29.700 -0.055 0.000 1.231 127 E HN 0.589 nan 8.360 nan 0.000 0.443 128 F N -1.758 118.209 119.950 0.027 0.000 2.741 128 F HA 0.623 5.154 4.527 0.007 0.000 0.311 128 F C -0.879 174.937 175.800 0.028 0.000 1.149 128 F CA -1.023 56.992 58.000 0.025 0.000 0.930 128 F CB 1.088 40.106 39.000 0.031 0.000 1.312 128 F HN 0.284 nan 8.300 nan 0.000 0.450 129 T N 0.839 115.534 114.554 0.234 0.000 2.908 129 T HA 0.885 5.238 4.350 0.005 0.000 0.290 129 T C -0.943 173.891 174.700 0.223 0.000 1.034 129 T CA -0.672 61.516 62.100 0.147 0.000 1.010 129 T CB 1.919 70.825 68.868 0.062 0.000 1.068 129 T HN 1.493 nan 8.240 nan 0.000 0.481 130 L N -1.388 119.944 121.223 0.181 0.000 2.622 130 L HA 0.800 5.143 4.340 0.005 0.000 0.258 130 L C -3.349 173.583 176.870 0.103 0.000 0.996 130 L CA -2.758 52.175 54.840 0.154 0.000 0.858 130 L CB 1.351 43.535 42.059 0.209 0.000 1.449 130 L HN 0.327 nan 8.230 nan 0.000 0.411 131 P HA 0.092 nan 4.420 nan 0.000 0.265 131 P C 0.093 177.436 177.300 0.072 0.000 1.193 131 P CA 0.102 63.238 63.100 0.059 0.000 0.765 131 P CB 0.717 32.444 31.700 0.045 0.000 0.823 132 Q N 2.653 122.491 119.800 0.065 0.000 2.118 132 Q HA -0.302 4.041 4.340 0.005 0.000 0.211 132 Q C 1.982 178.022 176.000 0.067 0.000 0.998 132 Q CA 2.357 58.203 55.803 0.071 0.000 0.872 132 Q CB -0.516 28.258 28.738 0.061 0.000 0.925 132 Q HN 0.600 nan 8.270 nan 0.000 0.414 133 A N 0.017 122.869 122.820 0.053 0.000 1.978 133 A HA -0.191 4.132 4.320 0.005 0.000 0.220 133 A C 2.177 179.789 177.584 0.047 0.000 1.170 133 A CA 1.929 53.994 52.037 0.046 0.000 0.636 133 A CB -0.731 18.291 19.000 0.036 0.000 0.810 133 A HN 0.379 nan 8.150 nan 0.000 0.448 134 T N -0.573 114.011 114.554 0.051 0.000 2.777 134 T HA -0.154 4.199 4.350 0.005 0.000 0.266 134 T C 1.922 176.657 174.700 0.059 0.000 1.040 134 T CA 1.860 63.987 62.100 0.045 0.000 1.141 134 T CB -0.250 68.644 68.868 0.044 0.000 0.868 134 T HN 0.464 nan 8.240 nan 0.000 0.444 135 M N 1.393 121.048 119.600 0.093 0.000 2.132 135 M HA 0.013 4.496 4.480 0.005 0.000 0.263 135 M C 1.892 178.249 176.300 0.095 0.000 1.065 135 M CA 1.540 56.915 55.300 0.124 0.000 1.122 135 M CB -0.293 32.408 32.600 0.168 0.000 1.365 135 M HN -0.059 nan 8.290 nan 0.000 0.411 136 K N -0.510 119.936 120.400 0.076 0.000 2.063 136 K HA -0.166 4.157 4.320 0.005 0.000 0.208 136 K C 2.241 178.870 176.600 0.048 0.000 1.048 136 K CA 1.029 57.352 56.287 0.061 0.000 0.928 136 K CB -0.580 31.951 32.500 0.053 0.000 0.713 136 K HN 0.284 nan 8.250 nan 0.000 0.442 137 R N 1.636 122.160 120.500 0.040 0.000 2.080 137 R HA -0.072 4.272 4.340 0.005 0.000 0.236 137 R C 2.409 178.717 176.300 0.013 0.000 1.137 137 R CA 1.342 57.461 56.100 0.030 0.000 0.943 137 R CB -0.964 29.349 30.300 0.022 0.000 0.846 137 R HN 0.222 nan 8.270 nan 0.000 0.431 138 L N 0.083 121.302 121.223 -0.007 0.000 2.042 138 L HA -0.204 4.139 4.340 0.005 0.000 0.210 138 L C 2.486 179.303 176.870 -0.088 0.000 1.076 138 L CA 1.361 56.158 54.840 -0.070 0.000 0.749 138 L CB -0.334 41.672 42.059 -0.089 0.000 0.893 138 L HN 0.180 nan 8.230 nan 0.000 0.432 139 I N -0.833 119.721 120.570 -0.028 0.000 2.193 139 I HA -0.217 3.956 4.170 0.005 0.000 0.240 139 I C 2.413 178.546 176.117 0.026 0.000 1.084 139 I CA 1.111 62.404 61.300 -0.012 0.000 1.365 139 I CB -0.340 37.700 38.000 0.067 0.000 1.064 139 I HN 0.231 nan 8.210 nan 0.000 0.410 140 E N 1.199 121.432 120.200 0.055 0.000 2.160 140 E HA -0.219 4.134 4.350 0.005 0.000 0.195 140 E C 2.278 178.971 176.600 0.156 0.000 0.991 140 E CA 1.253 57.709 56.400 0.093 0.000 0.810 140 E CB -0.183 29.561 29.700 0.074 0.000 0.742 140 E HN 0.506 nan 8.360 nan 0.000 0.466 141 A N 0.970 123.869 122.820 0.132 0.000 2.070 141 A HA -0.157 4.167 4.320 0.005 0.000 0.220 141 A C 2.259 180.023 177.584 0.300 0.000 1.159 141 A CA 2.038 54.211 52.037 0.227 0.000 0.656 141 A CB -0.379 18.691 19.000 0.117 0.000 0.800 141 A HN 0.394 nan 8.150 nan 0.000 0.453 142 T N -5.272 109.337 114.554 0.092 0.000 2.966 142 T HA 0.052 4.405 4.350 0.005 0.000 0.254 142 T C 1.712 176.284 174.700 -0.212 0.000 0.961 142 T CA 0.617 62.648 62.100 -0.115 0.000 0.915 142 T CB -0.202 68.536 68.868 -0.217 0.000 1.186 142 T HN 0.275 nan 8.240 nan 0.000 0.505 143 Q N 1.738 121.516 119.800 -0.037 0.000 2.152 143 Q HA -0.157 4.186 4.340 0.005 0.000 0.206 143 Q C 1.938 177.931 176.000 -0.012 0.000 0.985 143 Q CA 2.077 57.870 55.803 -0.016 0.000 0.863 143 Q CB -0.575 28.200 28.738 0.061 0.000 0.904 143 Q HN 0.804 nan 8.270 nan 0.000 0.422 144 F N -0.208 119.763 119.950 0.034 0.000 2.333 144 F HA 0.054 4.584 4.527 0.005 0.000 0.300 144 F C 1.740 177.571 175.800 0.052 0.000 1.083 144 F CA 1.085 59.116 58.000 0.051 0.000 1.395 144 F CB -0.578 38.442 39.000 0.034 0.000 1.056 144 F HN -0.097 nan 8.300 nan 0.000 0.529 145 S N 0.462 115.744 115.700 -0.697 0.000 2.575 145 S HA 0.235 4.708 4.470 0.005 0.000 0.215 145 S C 0.827 175.290 174.600 -0.228 0.000 0.966 145 S CA -0.259 57.645 58.200 -0.493 0.000 0.911 145 S CB -0.357 62.462 63.200 -0.636 0.000 0.780 145 S HN 0.248 nan 8.310 nan 0.000 0.514 146 M N 1.927 121.422 119.600 -0.175 0.000 2.248 146 M HA 0.234 4.717 4.480 0.005 0.000 0.337 146 M C 0.617 176.816 176.300 -0.168 0.000 1.121 146 M CA -0.268 54.949 55.300 -0.139 0.000 1.155 146 M CB 0.286 32.802 32.600 -0.141 0.000 1.514 146 M HN 0.175 nan 8.290 nan 0.000 0.452 147 A N 2.769 125.501 122.820 -0.147 0.000 2.346 147 A HA 0.220 4.543 4.320 0.005 0.000 0.252 147 A C -0.462 176.970 177.584 -0.253 0.000 1.089 147 A CA -0.244 51.729 52.037 -0.105 0.000 0.797 147 A CB 0.224 19.162 19.000 -0.103 0.000 1.047 147 A HN 0.827 nan 8.150 nan 0.000 0.494 148 H N 0.989 120.063 119.070 0.007 0.000 2.685 148 H HA 0.252 4.812 4.556 0.005 0.000 0.307 148 H C -0.441 174.892 175.328 0.008 0.000 1.017 148 H CA -0.050 56.008 56.048 0.016 0.000 1.237 148 H CB 0.937 30.716 29.762 0.028 0.000 1.409 148 H HN 0.875 nan 8.280 nan 0.000 0.488 149 Q N 0.694 120.534 119.800 0.066 0.000 2.457 149 Q HA -0.204 4.139 4.340 0.005 0.000 0.283 149 Q C -0.200 175.814 176.000 0.025 0.000 1.234 149 Q CA 0.681 56.512 55.803 0.046 0.000 0.877 149 Q CB -0.810 27.965 28.738 0.062 0.000 1.250 149 Q HN 0.649 nan 8.270 nan 0.000 0.481 150 D N 0.267 120.660 120.400 -0.011 0.000 2.414 150 D HA 0.067 4.710 4.640 0.005 0.000 0.242 150 D C 0.935 177.199 176.300 -0.061 0.000 1.129 150 D CA 0.153 54.122 54.000 -0.051 0.000 0.885 150 D CB 1.651 42.376 40.800 -0.125 0.000 1.198 150 D HN 0.054 nan 8.370 nan 0.000 0.437 151 V N 4.494 124.382 119.914 -0.044 0.000 2.720 151 V HA -0.174 3.949 4.120 0.005 0.000 0.256 151 V C 1.017 177.083 176.094 -0.047 0.000 1.082 151 V CA 1.423 63.714 62.300 -0.016 0.000 1.101 151 V CB -0.261 31.563 31.823 0.002 0.000 0.693 151 V HN 0.415 nan 8.190 nan 0.000 0.479 152 R N 0.446 120.818 120.500 -0.214 0.000 2.893 152 R HA 0.107 4.450 4.340 0.005 0.000 0.243 152 R C 1.140 176.945 176.300 -0.825 0.000 1.481 152 R CA 0.062 55.821 56.100 -0.570 0.000 1.250 152 R CB -0.328 29.575 30.300 -0.661 0.000 1.213 152 R HN 0.725 nan 8.270 nan 0.000 0.609 153 Y N 0.438 120.478 120.300 -0.433 0.000 2.333 153 Y HA -0.292 4.261 4.550 0.005 0.000 0.290 153 Y C 1.383 177.161 175.900 -0.203 0.000 1.144 153 Y CA 0.705 58.668 58.100 -0.228 0.000 1.228 153 Y CB -0.682 37.736 38.460 -0.071 0.000 0.985 153 Y HN 0.517 nan 8.280 nan 0.000 0.542 154 Y N -0.174 119.668 120.300 -0.764 0.000 2.352 154 Y HA -0.022 4.531 4.550 0.005 0.000 0.292 154 Y C 1.828 177.655 175.900 -0.122 0.000 1.136 154 Y CA 0.579 58.462 58.100 -0.361 0.000 1.227 154 Y CB -1.206 36.989 38.460 -0.442 0.000 0.991 154 Y HN 0.156 nan 8.280 nan 0.000 0.545 155 L N 0.832 121.765 121.223 -0.484 0.000 2.291 155 L HA -0.118 4.226 4.340 0.005 0.000 0.214 155 L C 1.084 177.884 176.870 -0.118 0.000 1.120 155 L CA 0.819 55.495 54.840 -0.275 0.000 0.799 155 L CB -0.544 41.270 42.059 -0.408 0.000 0.925 155 L HN 0.318 nan 8.230 nan 0.000 0.446 156 N N -0.646 117.989 118.700 -0.108 0.000 2.501 156 N HA 0.025 4.768 4.740 0.005 0.000 0.195 156 N C 0.160 175.674 175.510 0.006 0.000 1.213 156 N CA 0.245 53.258 53.050 -0.061 0.000 0.864 156 N CB -0.122 38.343 38.487 -0.037 0.000 0.999 156 N HN 0.290 nan 8.380 nan 0.000 0.454 157 C N -0.381 118.971 119.300 0.087 0.000 3.028 157 C HA 0.600 5.063 4.460 0.005 0.000 0.338 157 C C 0.144 175.217 174.990 0.139 0.000 1.366 157 C CA -0.997 58.104 59.018 0.138 0.000 1.610 157 C CB 1.842 29.704 27.740 0.202 0.000 2.063 157 C HN 0.239 nan 8.230 nan 0.000 0.463 158 M N 1.830 121.488 119.600 0.097 0.000 2.321 158 M HA 0.611 5.094 4.480 0.005 0.000 0.315 158 M C -1.468 174.748 176.300 -0.140 0.000 1.052 158 M CA -0.552 54.721 55.300 -0.046 0.000 0.936 158 M CB 1.294 33.887 32.600 -0.011 0.000 1.639 158 M HN 0.700 nan 8.290 nan 0.000 0.433 159 L N 4.827 125.696 121.223 -0.591 0.000 2.349 159 L HA 0.517 4.860 4.340 0.005 0.000 0.275 159 L C -1.790 174.888 176.870 -0.321 0.000 1.115 159 L CA 0.460 54.960 54.840 -0.568 0.000 0.820 159 L CB 0.569 42.002 42.059 -1.045 0.000 1.135 159 L HN 0.588 nan 8.230 nan 0.000 0.445 160 F N 3.798 123.622 119.950 -0.209 0.000 2.449 160 F HA 0.481 5.012 4.527 0.006 0.000 0.342 160 F C 0.049 175.798 175.800 -0.084 0.000 1.127 160 F CA -0.561 57.375 58.000 -0.106 0.000 0.975 160 F CB 1.475 40.471 39.000 -0.006 0.000 1.146 160 F HN 0.480 nan 8.300 nan 0.000 0.444 161 E N 2.038 122.252 120.200 0.023 0.000 2.234 161 E HA 0.513 4.866 4.350 0.005 0.000 0.266 161 E C -1.196 175.406 176.600 0.004 0.000 0.877 161 E CA -0.728 55.677 56.400 0.009 0.000 0.758 161 E CB 1.689 31.367 29.700 -0.037 0.000 1.170 161 E HN 0.627 nan 8.360 nan 0.000 0.415 162 T N 1.269 115.849 114.554 0.042 0.000 2.859 162 T HA 0.555 4.908 4.350 0.005 0.000 0.281 162 T C -0.294 174.411 174.700 0.008 0.000 1.005 162 T CA -0.781 61.310 62.100 -0.015 0.000 1.025 162 T CB 1.542 70.416 68.868 0.009 0.000 0.977 162 T HN 0.533 nan 8.240 nan 0.000 0.458 163 E N 1.135 121.321 120.200 -0.022 0.000 2.406 163 E HA 0.464 4.817 4.350 0.005 0.000 0.297 163 E C 0.515 177.105 176.600 -0.017 0.000 0.917 163 E CA -0.018 56.381 56.400 -0.002 0.000 0.795 163 E CB 0.922 30.629 29.700 0.011 0.000 1.285 163 E HN 1.234 nan 8.360 nan 0.000 0.400 164 G N 3.991 112.786 108.800 -0.008 0.000 2.583 164 G HA2 -0.356 3.607 3.960 0.005 0.000 0.292 164 G HA3 -0.356 3.607 3.960 0.005 0.000 0.292 164 G C 0.375 175.259 174.900 -0.027 0.000 1.203 164 G CA 0.518 45.611 45.100 -0.012 0.000 0.987 164 G HN 0.631 nan 8.290 nan 0.000 0.554 165 E N 1.637 121.817 120.200 -0.033 0.000 2.451 165 E HA 0.228 4.581 4.350 0.005 0.000 0.194 165 E C 0.234 176.788 176.600 -0.077 0.000 1.027 165 E CA 0.024 56.396 56.400 -0.047 0.000 0.914 165 E CB 0.332 30.015 29.700 -0.029 0.000 1.054 165 E HN 0.491 nan 8.360 nan 0.000 0.461 166 E N 1.142 121.289 120.200 -0.088 0.000 2.195 166 E HA 0.324 4.677 4.350 0.005 0.000 0.271 166 E C -1.106 175.393 176.600 -0.169 0.000 0.923 166 E CA -0.900 55.434 56.400 -0.110 0.000 0.790 166 E CB 2.273 31.926 29.700 -0.078 0.000 1.155 166 E HN -0.049 nan 8.360 nan 0.000 0.402 167 L N 2.673 123.776 121.223 -0.200 0.000 2.325 167 L HA 0.481 4.825 4.340 0.005 0.000 0.278 167 L C -0.698 176.076 176.870 -0.160 0.000 1.023 167 L CA -0.230 54.481 54.840 -0.214 0.000 0.811 167 L CB 1.223 43.121 42.059 -0.268 0.000 1.249 167 L HN 0.519 nan 8.230 nan 0.000 0.431 168 R N 1.863 122.263 120.500 -0.165 0.000 2.673 168 R HA 0.763 5.106 4.340 0.005 0.000 0.281 168 R C -1.459 174.647 176.300 -0.322 0.000 0.991 168 R CA -0.263 55.697 56.100 -0.234 0.000 0.896 168 R CB 1.741 31.898 30.300 -0.239 0.000 1.201 168 R HN 0.808 nan 8.270 nan 0.000 0.457 169 T N 0.054 114.360 114.554 -0.413 0.000 2.855 169 T HA 0.656 5.009 4.350 0.005 0.000 0.281 169 T C -0.595 173.819 174.700 -0.477 0.000 1.007 169 T CA -0.724 61.038 62.100 -0.563 0.000 1.009 169 T CB 1.814 70.298 68.868 -0.639 0.000 0.983 169 T HN 0.228 nan 8.240 nan 0.000 0.455 170 V N 1.095 120.722 119.914 -0.477 0.000 2.709 170 V HA 0.857 4.980 4.120 0.005 0.000 0.308 170 V C -0.196 175.735 176.094 -0.271 0.000 1.062 170 V CA -0.990 61.099 62.300 -0.352 0.000 0.901 170 V CB 1.508 33.188 31.823 -0.238 0.000 1.003 170 V HN 1.376 nan 8.190 nan 0.000 0.425 171 A N 2.585 125.317 122.820 -0.147 0.000 2.393 171 A HA 0.950 5.273 4.320 0.005 0.000 0.306 171 A C -0.524 177.049 177.584 -0.017 0.000 1.050 171 A CA -0.595 51.420 52.037 -0.036 0.000 0.724 171 A CB 2.234 21.135 19.000 -0.164 0.000 1.248 171 A HN 0.861 nan 8.150 nan 0.000 0.424 172 T N 0.081 114.660 114.554 0.042 0.000 2.932 172 T HA 0.480 4.833 4.350 0.005 0.000 0.318 172 T C -1.130 173.488 174.700 -0.138 0.000 1.265 172 T CA 0.066 62.117 62.100 -0.082 0.000 1.036 172 T CB 1.377 70.199 68.868 -0.078 0.000 1.209 172 T HN 0.749 nan 8.240 nan 0.000 0.484 173 D N 1.263 121.557 120.400 -0.177 0.000 2.402 173 D HA 0.312 4.955 4.640 0.005 0.000 0.216 173 D C 1.450 177.535 176.300 -0.359 0.000 1.128 173 D CA 0.560 54.447 54.000 -0.188 0.000 0.833 173 D CB -0.120 40.641 40.800 -0.066 0.000 0.971 173 D HN 1.138 nan 8.370 nan 0.000 0.503 174 G N 0.218 108.792 108.800 -0.376 0.000 2.176 174 G HA2 -0.307 3.656 3.960 0.005 0.000 0.253 174 G HA3 -0.307 3.656 3.960 0.005 0.000 0.253 174 G C 0.766 175.330 174.900 -0.561 0.000 0.979 174 G CA 0.547 45.357 45.100 -0.483 0.000 0.641 174 G HN 0.497 nan 8.290 nan 0.000 0.530 175 H N -0.562 118.457 119.070 -0.085 0.000 2.348 175 H HA 0.212 4.771 4.556 0.005 0.000 0.233 175 H C 1.493 176.736 175.328 -0.142 0.000 0.889 175 H CA 1.274 57.285 56.048 -0.061 0.000 1.034 175 H CB 0.469 30.227 29.762 -0.006 0.000 1.393 175 H HN 0.654 nan 8.280 nan 0.000 0.422 176 R N 0.716 121.109 120.500 -0.178 0.000 2.854 176 R HA 0.677 5.020 4.340 0.005 0.000 0.271 176 R C -1.265 174.941 176.300 -0.157 0.000 0.996 176 R CA -0.809 55.162 56.100 -0.214 0.000 0.961 176 R CB 1.685 31.721 30.300 -0.439 0.000 1.182 176 R HN 0.087 nan 8.270 nan 0.000 0.479 177 L N 0.225 121.395 121.223 -0.089 0.000 2.401 177 L HA 0.909 5.252 4.340 0.005 0.000 0.266 177 L C -1.342 175.478 176.870 -0.084 0.000 0.991 177 L CA -0.661 54.130 54.840 -0.083 0.000 0.818 177 L CB 2.337 44.375 42.059 -0.035 0.000 1.321 177 L HN 1.005 nan 8.230 nan 0.000 0.413 178 A N 3.842 126.558 122.820 -0.174 0.000 2.365 178 A HA 0.815 5.138 4.320 0.005 0.000 0.318 178 A C -1.635 175.733 177.584 -0.360 0.000 1.091 178 A CA -0.537 51.323 52.037 -0.294 0.000 0.763 178 A CB 2.003 20.852 19.000 -0.251 0.000 1.248 178 A HN 0.759 nan 8.150 nan 0.000 0.442 179 V N 1.567 121.185 119.914 -0.492 0.000 2.841 179 V HA 0.706 4.830 4.120 0.005 0.000 0.310 179 V C -1.229 174.592 176.094 -0.455 0.000 1.090 179 V CA -0.415 61.600 62.300 -0.475 0.000 0.930 179 V CB 1.443 32.927 31.823 -0.565 0.000 1.014 179 V HN 1.511 nan 8.190 nan 0.000 0.425 180 C N 5.006 124.076 119.300 -0.382 0.000 2.609 180 C HA 0.895 5.358 4.460 0.005 0.000 0.313 180 C C -0.258 174.579 174.990 -0.256 0.000 1.175 180 C CA -0.027 58.824 59.018 -0.280 0.000 1.434 180 C CB 1.190 28.808 27.740 -0.203 0.000 2.005 180 C HN 1.031 nan 8.230 nan 0.000 0.471 181 S N 6.264 121.846 115.700 -0.196 0.000 2.538 181 S HA 0.826 5.299 4.470 0.005 0.000 0.288 181 S C -0.970 173.565 174.600 -0.108 0.000 1.108 181 S CA -0.607 57.496 58.200 -0.162 0.000 0.971 181 S CB 1.543 64.653 63.200 -0.151 0.000 1.041 181 S HN 0.758 nan 8.310 nan 0.000 0.483 182 M N 3.906 123.449 119.600 -0.096 0.000 2.386 182 M HA 0.443 4.926 4.480 0.005 0.000 0.293 182 M C -2.928 173.331 176.300 -0.067 0.000 1.120 182 M CA -2.432 52.828 55.300 -0.067 0.000 0.909 182 M CB 1.806 34.375 32.600 -0.052 0.000 1.661 182 M HN 0.295 nan 8.290 nan 0.000 0.452 183 P HA 0.279 nan 4.420 nan 0.000 0.275 183 P C 0.123 177.396 177.300 -0.044 0.000 1.227 183 P CA -0.098 62.974 63.100 -0.047 0.000 0.781 183 P CB 0.706 32.389 31.700 -0.029 0.000 0.906 184 I N -2.212 118.325 120.570 -0.056 0.000 4.240 184 I HA 0.417 4.591 4.170 0.005 0.000 0.331 184 I C 1.091 177.200 176.117 -0.013 0.000 1.381 184 I CA -0.112 61.165 61.300 -0.039 0.000 1.136 184 I CB -0.161 37.796 38.000 -0.073 0.000 1.137 184 I HN 0.501 nan 8.210 nan 0.000 0.411 185 G N 1.664 110.454 108.800 -0.017 0.000 2.179 185 G HA2 -0.270 3.693 3.960 0.005 0.000 0.257 185 G HA3 -0.270 3.693 3.960 0.005 0.000 0.257 185 G C -0.168 174.735 174.900 0.005 0.000 1.010 185 G CA 0.417 45.515 45.100 -0.003 0.000 0.736 185 G HN 0.634 nan 8.290 nan 0.000 0.513 186 Q N -0.437 119.363 119.800 -0.000 0.000 2.305 186 Q HA 0.590 4.933 4.340 0.005 0.000 0.271 186 Q C -0.235 175.766 176.000 0.001 0.000 1.046 186 Q CA -0.501 55.311 55.803 0.015 0.000 0.798 186 Q CB 2.052 30.819 28.738 0.048 0.000 1.286 186 Q HN 0.219 nan 8.270 nan 0.000 0.435 187 S N 2.635 118.341 115.700 0.009 0.000 2.510 187 S HA 0.459 4.932 4.470 0.005 0.000 0.279 187 S C -0.666 173.943 174.600 0.016 0.000 1.284 187 S CA -0.150 58.054 58.200 0.007 0.000 1.059 187 S CB 0.052 63.258 63.200 0.010 0.000 0.901 187 S HN 0.421 nan 8.310 nan 0.000 0.491 188 L N 6.183 127.412 121.223 0.009 0.000 2.388 188 L HA 0.584 4.928 4.340 0.005 0.000 0.264 188 L C -2.002 174.886 176.870 0.029 0.000 0.998 188 L CA -2.268 52.587 54.840 0.024 0.000 0.817 188 L CB 2.085 44.141 42.059 -0.006 0.000 1.338 188 L HN 0.498 nan 8.230 nan 0.000 0.414 189 P HA 0.095 nan 4.420 nan 0.000 0.272 189 P C -0.761 176.587 177.300 0.080 0.000 1.230 189 P CA -0.368 62.763 63.100 0.051 0.000 0.788 189 P CB 0.741 32.466 31.700 0.041 0.000 0.949 190 S N 0.947 116.696 115.700 0.083 0.000 2.448 190 S HA 0.262 4.735 4.470 0.005 0.000 0.279 190 S C -0.123 174.573 174.600 0.161 0.000 1.195 190 S CA 0.196 58.451 58.200 0.091 0.000 1.051 190 S CB -0.657 62.576 63.200 0.055 0.000 0.948 190 S HN 0.575 nan 8.310 nan 0.000 0.493 191 H N 0.934 120.023 119.070 0.031 0.000 3.046 191 H HA 0.569 5.128 4.556 0.005 0.000 0.363 191 H C -1.233 174.120 175.328 0.043 0.000 1.203 191 H CA -0.301 55.772 56.048 0.042 0.000 1.169 191 H CB 1.465 31.264 29.762 0.061 0.000 1.851 191 H HN 0.505 nan 8.280 nan 0.000 0.546 192 S N 2.365 117.825 115.700 -0.399 0.000 2.547 192 S HA 0.617 5.090 4.470 0.005 0.000 0.281 192 S C -1.157 173.297 174.600 -0.244 0.000 1.118 192 S CA -0.432 57.644 58.200 -0.207 0.000 0.947 192 S CB 1.311 64.429 63.200 -0.136 0.000 1.053 192 S HN 0.672 nan 8.310 nan 0.000 0.482 193 V N 0.290 120.167 119.914 -0.061 0.000 3.078 193 V HA 0.734 4.857 4.120 0.005 0.000 0.311 193 V C -1.193 174.910 176.094 0.015 0.000 1.138 193 V CA -1.046 61.240 62.300 -0.024 0.000 1.007 193 V CB 1.606 33.441 31.823 0.019 0.000 1.045 193 V HN 0.814 nan 8.190 nan 0.000 0.432 194 I N 2.444 123.028 120.570 0.024 0.000 2.355 194 I HA 0.545 4.718 4.170 0.005 0.000 0.288 194 I C -0.602 175.560 176.117 0.075 0.000 0.999 194 I CA -0.832 60.505 61.300 0.062 0.000 1.163 194 I CB 1.790 39.872 38.000 0.136 0.000 1.316 194 I HN 0.429 nan 8.210 nan 0.000 0.454 195 V N 8.497 128.476 119.914 0.108 0.000 2.370 195 V HA 0.344 4.467 4.120 0.005 0.000 0.279 195 V C -1.944 174.216 176.094 0.110 0.000 1.029 195 V CA -1.792 60.551 62.300 0.072 0.000 0.870 195 V CB 1.245 33.073 31.823 0.009 0.000 0.984 195 V HN 0.552 nan 8.190 nan 0.000 0.451 196 P HA 0.092 nan 4.420 nan 0.000 0.270 196 P C 0.668 178.018 177.300 0.083 0.000 1.223 196 P CA -0.328 62.825 63.100 0.089 0.000 0.785 196 P CB 0.675 32.417 31.700 0.071 0.000 0.923 197 R N 2.230 122.766 120.500 0.060 0.000 2.091 197 R HA -0.180 4.163 4.340 0.005 0.000 0.238 197 R C 1.972 178.296 176.300 0.041 0.000 1.136 197 R CA 1.577 57.700 56.100 0.039 0.000 0.959 197 R CB -0.758 29.537 30.300 -0.008 0.000 0.856 197 R HN 0.282 nan 8.270 nan 0.000 0.437 198 K N 0.480 120.907 120.400 0.046 0.000 2.063 198 K HA -0.111 4.212 4.320 0.005 0.000 0.208 198 K C 2.166 178.805 176.600 0.065 0.000 1.048 198 K CA 1.785 58.099 56.287 0.046 0.000 0.928 198 K CB -0.495 32.037 32.500 0.053 0.000 0.713 198 K HN 0.418 nan 8.250 nan 0.000 0.442 199 G N 0.620 109.494 108.800 0.122 0.000 2.418 199 G HA2 -0.253 3.710 3.960 0.005 0.000 0.217 199 G HA3 -0.253 3.710 3.960 0.005 0.000 0.217 199 G C 1.454 176.401 174.900 0.079 0.000 1.158 199 G CA 0.938 46.167 45.100 0.215 0.000 0.771 199 G HN 0.325 nan 8.290 nan 0.000 0.545 200 V N 0.439 120.401 119.914 0.081 0.000 2.343 200 V HA -0.132 3.991 4.120 0.005 0.000 0.247 200 V C 2.628 178.728 176.094 0.010 0.000 1.051 200 V CA 1.871 64.226 62.300 0.093 0.000 1.036 200 V CB -0.363 31.570 31.823 0.184 0.000 0.654 200 V HN 0.205 nan 8.190 nan 0.000 0.451 201 I N 0.854 121.413 120.570 -0.018 0.000 2.179 201 I HA -0.140 4.034 4.170 0.005 0.000 0.242 201 I C 2.714 178.741 176.117 -0.150 0.000 1.088 201 I CA 1.774 63.042 61.300 -0.052 0.000 1.357 201 I CB -0.966 37.017 38.000 -0.028 0.000 1.051 201 I HN 0.381 nan 8.210 nan 0.000 0.409 202 E N -0.076 119.968 120.200 -0.260 0.000 2.058 202 E HA -0.244 4.109 4.350 0.005 0.000 0.194 202 E C 2.224 178.451 176.600 -0.623 0.000 0.997 202 E CA 1.202 57.291 56.400 -0.518 0.000 0.801 202 E CB -0.603 28.573 29.700 -0.874 0.000 0.746 202 E HN 0.327 nan 8.360 nan 0.000 0.450 203 L N 0.888 121.767 121.223 -0.573 0.000 1.989 203 L HA -0.190 4.153 4.340 0.005 0.000 0.211 203 L C 2.481 179.274 176.870 -0.128 0.000 1.071 203 L CA 1.823 56.477 54.840 -0.310 0.000 0.749 203 L CB -0.711 41.295 42.059 -0.089 0.000 0.890 203 L HN 0.091 nan 8.230 nan 0.000 0.431 204 M N 0.017 119.574 119.600 -0.072 0.000 2.073 204 M HA -0.233 4.250 4.480 0.005 0.000 0.258 204 M C 2.319 178.592 176.300 -0.044 0.000 1.070 204 M CA 1.907 57.195 55.300 -0.020 0.000 1.103 204 M CB -0.481 32.120 32.600 0.002 0.000 1.321 204 M HN 0.224 nan 8.290 nan 0.000 0.405 205 R N -0.212 120.230 120.500 -0.096 0.000 2.285 205 R HA -0.041 4.302 4.340 0.005 0.000 0.213 205 R C 1.992 178.222 176.300 -0.117 0.000 1.068 205 R CA 1.421 57.461 56.100 -0.100 0.000 1.004 205 R CB -0.724 29.502 30.300 -0.123 0.000 0.873 205 R HN 0.659 nan 8.270 nan 0.000 0.467 206 M N -0.667 118.855 119.600 -0.130 0.000 2.556 206 M HA 0.124 4.607 4.480 0.005 0.000 0.245 206 M C -0.039 176.322 176.300 0.103 0.000 1.128 206 M CA 0.988 56.241 55.300 -0.078 0.000 1.069 206 M CB 0.245 32.790 32.600 -0.091 0.000 1.469 206 M HN -0.118 nan 8.290 nan 0.000 0.494 207 L N 3.390 124.651 121.223 0.064 0.000 2.312 207 L HA 0.179 4.522 4.340 0.005 0.000 0.287 207 L C 0.212 177.135 176.870 0.088 0.000 1.091 207 L CA -0.615 54.281 54.840 0.093 0.000 0.846 207 L CB 0.419 42.521 42.059 0.071 0.000 1.219 207 L HN 0.301 nan 8.230 nan 0.000 0.439 208 D N 1.027 121.499 120.400 0.120 0.000 2.349 208 D HA 0.026 4.669 4.640 0.005 0.000 0.224 208 D C 1.382 177.724 176.300 0.069 0.000 1.029 208 D CA 0.576 54.639 54.000 0.105 0.000 0.879 208 D CB 0.422 41.310 40.800 0.147 0.000 0.906 208 D HN 0.674 nan 8.370 nan 0.000 0.528 209 G N -1.061 107.774 108.800 0.059 0.000 2.176 209 G HA2 -0.180 3.783 3.960 0.005 0.000 0.253 209 G HA3 -0.180 3.783 3.960 0.005 0.000 0.253 209 G C 0.672 175.595 174.900 0.038 0.000 0.979 209 G CA 0.164 45.291 45.100 0.045 0.000 0.641 209 G HN 0.808 nan 8.290 nan 0.000 0.530 210 G N -0.795 108.029 108.800 0.039 0.000 2.509 210 G HA2 0.481 4.444 3.960 0.005 0.000 0.269 210 G HA3 0.481 4.444 3.960 0.005 0.000 0.269 210 G C 0.284 175.196 174.900 0.020 0.000 1.416 210 G CA 0.568 45.683 45.100 0.025 0.000 1.052 210 G HN 0.044 nan 8.290 nan 0.000 0.542 211 D N -0.248 120.157 120.400 0.009 0.000 2.349 211 D HA 0.083 4.726 4.640 0.005 0.000 0.214 211 D C 0.181 176.479 176.300 -0.003 0.000 1.063 211 D CA -0.114 53.889 54.000 0.005 0.000 0.847 211 D CB 0.055 40.855 40.800 -0.000 0.000 0.933 211 D HN 0.078 nan 8.370 nan 0.000 0.513 212 N N 2.889 121.584 118.700 -0.008 0.000 2.452 212 N HA 0.112 4.855 4.740 0.005 0.000 0.266 212 N C -2.284 173.226 175.510 0.000 0.000 1.175 212 N CA -0.721 52.318 53.050 -0.019 0.000 0.945 212 N CB 1.007 39.471 38.487 -0.038 0.000 1.063 212 N HN 0.116 nan 8.380 nan 0.000 0.472 213 P HA 0.137 nan 4.420 nan 0.000 0.276 213 P C -0.484 176.827 177.300 0.018 0.000 1.244 213 P CA -0.654 62.455 63.100 0.014 0.000 0.801 213 P CB 0.987 32.692 31.700 0.007 0.000 1.006 214 L N 1.918 123.169 121.223 0.048 0.000 2.275 214 L HA 0.469 4.813 4.340 0.005 0.000 0.288 214 L C 0.204 177.093 176.870 0.032 0.000 1.046 214 L CA -0.549 54.328 54.840 0.061 0.000 0.805 214 L CB 0.528 42.644 42.059 0.096 0.000 1.193 214 L HN 0.339 nan 8.230 nan 0.000 0.426 215 R N 4.242 124.742 120.500 0.000 0.000 2.294 215 R HA 0.710 5.053 4.340 0.005 0.000 0.319 215 R C -1.639 174.592 176.300 -0.115 0.000 0.984 215 R CA -0.607 55.453 56.100 -0.066 0.000 0.861 215 R CB 1.256 31.515 30.300 -0.067 0.000 1.104 215 R HN 0.593 nan 8.270 nan 0.000 0.451 216 V N 4.643 124.345 119.914 -0.353 0.000 2.513 216 V HA 0.363 4.486 4.120 0.005 0.000 0.299 216 V C -0.484 175.358 176.094 -0.420 0.000 1.035 216 V CA -0.705 61.325 62.300 -0.451 0.000 0.889 216 V CB 1.772 33.121 31.823 -0.790 0.000 0.988 216 V HN 0.804 nan 8.190 nan 0.000 0.440 217 Q N 4.132 123.837 119.800 -0.157 0.000 2.304 217 Q HA 0.659 5.002 4.340 0.005 0.000 0.270 217 Q C -1.400 174.655 176.000 0.091 0.000 1.035 217 Q CA -0.414 55.375 55.803 -0.023 0.000 0.781 217 Q CB 3.010 31.787 28.738 0.066 0.000 1.261 217 Q HN 0.652 nan 8.270 nan 0.000 0.444 218 I N 1.569 122.185 120.570 0.076 0.000 2.406 218 I HA 0.579 4.752 4.170 0.005 0.000 0.290 218 I C 0.304 176.491 176.117 0.117 0.000 0.999 218 I CA -0.576 60.762 61.300 0.063 0.000 1.124 218 I CB 1.827 39.872 38.000 0.075 0.000 1.289 218 I HN 0.665 nan 8.210 nan 0.000 0.441 219 G N 2.172 111.010 108.800 0.063 0.000 2.820 219 G HA2 0.348 4.312 3.960 0.005 0.000 0.291 219 G HA3 0.348 4.312 3.960 0.005 0.000 0.291 219 G C 0.808 175.718 174.900 0.018 0.000 1.323 219 G CA 0.033 45.208 45.100 0.124 0.000 1.055 219 G HN 0.601 nan 8.290 nan 0.000 0.520 220 S N -1.016 114.710 115.700 0.043 0.000 2.382 220 S HA -0.117 4.356 4.470 0.005 0.000 0.228 220 S C 1.173 175.749 174.600 -0.040 0.000 1.027 220 S CA 1.669 59.887 58.200 0.031 0.000 0.991 220 S CB -0.196 63.030 63.200 0.044 0.000 0.823 220 S HN 0.536 nan 8.310 nan 0.000 0.469 221 N N 0.822 119.437 118.700 -0.142 0.000 2.184 221 N HA 0.368 5.111 4.740 0.005 0.000 0.234 221 N C -1.201 174.095 175.510 -0.357 0.000 1.282 221 N CA -0.366 52.570 53.050 -0.190 0.000 0.877 221 N CB 0.690 39.093 38.487 -0.141 0.000 1.184 221 N HN 0.376 nan 8.380 nan 0.000 0.510 222 N N 0.211 118.573 118.700 -0.563 0.000 2.494 222 N HA 0.519 5.262 4.740 0.005 0.000 0.270 222 N C -1.907 173.151 175.510 -0.753 0.000 1.285 222 N CA -0.669 51.871 53.050 -0.850 0.000 0.812 222 N CB 2.379 39.805 38.487 -1.767 0.000 1.557 222 N HN -0.056 nan 8.380 nan 0.000 0.487 223 I N 0.039 120.271 120.570 -0.562 0.000 2.619 223 I HA 0.538 4.712 4.170 0.005 0.000 0.292 223 I C -1.384 174.627 176.117 -0.176 0.000 1.100 223 I CA -0.740 60.380 61.300 -0.300 0.000 1.043 223 I CB 1.663 39.529 38.000 -0.224 0.000 1.239 223 I HN 0.506 nan 8.210 nan 0.000 0.420 224 R N 5.919 126.447 120.500 0.047 0.000 2.621 224 R HA 0.853 5.196 4.340 0.005 0.000 0.292 224 R C -1.859 174.490 176.300 0.081 0.000 0.969 224 R CA -0.538 55.633 56.100 0.119 0.000 0.887 224 R CB 2.013 32.506 30.300 0.321 0.000 1.180 224 R HN 0.689 nan 8.270 nan 0.000 0.450 225 A N 3.456 126.351 122.820 0.125 0.000 2.343 225 A HA 0.364 4.687 4.320 0.005 0.000 0.308 225 A C -1.684 176.017 177.584 0.195 0.000 1.092 225 A CA -0.597 51.526 52.037 0.143 0.000 0.751 225 A CB 0.920 20.028 19.000 0.179 0.000 1.203 225 A HN 0.931 nan 8.150 nan 0.000 0.452 226 H N 1.602 120.710 119.070 0.064 0.000 2.646 226 H HA 0.625 5.184 4.556 0.006 0.000 0.328 226 H C -1.371 173.984 175.328 0.046 0.000 0.998 226 H CA -0.727 55.358 56.048 0.061 0.000 1.225 226 H CB 1.279 31.051 29.762 0.017 0.000 1.457 226 H HN 0.506 nan 8.280 nan 0.000 0.505 227 V N 3.981 124.114 119.914 0.365 0.000 2.525 227 V HA 0.533 4.656 4.120 0.005 0.000 0.299 227 V C 1.052 177.199 176.094 0.089 0.000 1.034 227 V CA -0.150 62.256 62.300 0.176 0.000 0.863 227 V CB 0.753 32.664 31.823 0.146 0.000 0.999 227 V HN 1.134 nan 8.190 nan 0.000 0.423 228 G N 3.785 112.572 108.800 -0.022 0.000 2.665 228 G HA2 -0.300 3.663 3.960 0.005 0.000 0.326 228 G HA3 -0.300 3.663 3.960 0.005 0.000 0.326 228 G C 0.348 175.177 174.900 -0.119 0.000 1.231 228 G CA 0.960 45.977 45.100 -0.139 0.000 0.992 228 G HN 0.757 nan 8.290 nan 0.000 0.549 229 D N 0.981 121.143 120.400 -0.396 0.000 2.340 229 D HA 0.325 4.968 4.640 0.005 0.000 0.217 229 D C 0.068 176.254 176.300 -0.191 0.000 1.081 229 D CA 0.441 54.258 54.000 -0.305 0.000 0.842 229 D CB 0.058 40.640 40.800 -0.364 0.000 0.934 229 D HN 0.132 nan 8.370 nan 0.000 0.511 230 F N 0.546 120.516 119.950 0.033 0.000 2.495 230 F HA 0.513 5.042 4.527 0.003 0.000 0.327 230 F C 0.255 175.994 175.800 -0.100 0.000 1.103 230 F CA -1.331 56.659 58.000 -0.017 0.000 0.949 230 F CB 1.413 40.424 39.000 0.018 0.000 1.142 230 F HN -0.323 nan 8.300 nan 0.000 0.457 231 I N 3.655 124.267 120.570 0.070 0.000 2.468 231 I HA 0.301 4.475 4.170 0.005 0.000 0.285 231 I C -1.392 174.794 176.117 0.114 0.000 1.039 231 I CA -0.569 60.691 61.300 -0.066 0.000 1.074 231 I CB 1.885 39.717 38.000 -0.280 0.000 1.228 231 I HN 0.412 nan 8.210 nan 0.000 0.436 232 F N 5.976 125.924 119.950 -0.003 0.000 2.458 232 F HA 0.722 5.251 4.527 0.004 0.000 0.336 232 F C -0.066 175.746 175.800 0.021 0.000 1.114 232 F CA -0.360 57.642 58.000 0.003 0.000 0.987 232 F CB 1.752 40.750 39.000 -0.004 0.000 1.130 232 F HN 0.403 nan 8.300 nan 0.000 0.458 233 T N 3.541 117.586 114.554 -0.849 0.000 2.893 233 T HA 0.653 5.006 4.350 0.005 0.000 0.293 233 T C -1.365 172.726 174.700 -1.015 0.000 1.027 233 T CA -0.468 61.205 62.100 -0.712 0.000 0.988 233 T CB 1.348 70.142 68.868 -0.123 0.000 1.043 233 T HN 0.822 nan 8.240 nan 0.000 0.461 234 S N 2.425 117.694 115.700 -0.719 0.000 2.548 234 S HA 0.674 5.147 4.470 0.005 0.000 0.286 234 S C -0.663 173.734 174.600 -0.338 0.000 1.098 234 S CA -0.917 57.007 58.200 -0.459 0.000 0.930 234 S CB 1.063 64.116 63.200 -0.246 0.000 1.070 234 S HN 1.079 nan 8.310 nan 0.000 0.480 235 K N 2.817 123.069 120.400 -0.248 0.000 2.336 235 K HA 0.454 4.777 4.320 0.005 0.000 0.262 235 K C -0.457 176.042 176.600 -0.169 0.000 0.992 235 K CA -0.174 55.977 56.287 -0.226 0.000 0.927 235 K CB -0.026 32.382 32.500 -0.154 0.000 0.956 235 K HN 0.542 nan 8.250 nan 0.000 0.495 236 L N 1.079 122.207 121.223 -0.159 0.000 2.358 236 L HA 0.499 4.842 4.340 0.005 0.000 0.268 236 L C -0.279 176.576 176.870 -0.026 0.000 1.032 236 L CA -1.513 53.275 54.840 -0.088 0.000 0.805 236 L CB 1.752 43.751 42.059 -0.100 0.000 1.253 236 L HN 0.604 nan 8.230 nan 0.000 0.452 237 V N 0.094 120.033 119.914 0.042 0.000 2.547 237 V HA 0.374 4.497 4.120 0.005 0.000 0.299 237 V C -0.651 175.524 176.094 0.135 0.000 1.040 237 V CA -0.526 61.840 62.300 0.110 0.000 0.913 237 V CB 1.806 33.756 31.823 0.212 0.000 0.992 237 V HN 0.634 nan 8.190 nan 0.000 0.449 238 D N 3.672 124.157 120.400 0.143 0.000 2.249 238 D HA 0.723 5.366 4.640 0.005 0.000 0.246 238 D C 0.196 176.634 176.300 0.230 0.000 1.114 238 D CA 1.151 55.227 54.000 0.127 0.000 0.854 238 D CB 1.560 42.404 40.800 0.073 0.000 1.132 238 D HN 1.176 nan 8.370 nan 0.000 0.461 239 G N 1.786 110.669 108.800 0.138 0.000 2.317 239 G HA2 0.232 4.195 3.960 0.005 0.000 0.293 239 G HA3 0.232 4.195 3.960 0.005 0.000 0.293 239 G C -1.415 173.440 174.900 -0.075 0.000 1.287 239 G CA -0.993 44.154 45.100 0.077 0.000 0.850 239 G HN 0.414 nan 8.290 nan 0.000 0.515 240 R N -0.010 120.315 120.500 -0.293 0.000 2.312 240 R HA 0.592 4.935 4.340 0.005 0.000 0.310 240 R C -1.165 174.832 176.300 -0.505 0.000 1.064 240 R CA -0.689 55.224 56.100 -0.312 0.000 0.983 240 R CB 0.136 30.265 30.300 -0.284 0.000 1.139 240 R HN 0.354 nan 8.270 nan 0.000 0.536 241 F N 4.995 124.741 119.950 -0.340 0.000 2.484 241 F HA 0.332 4.862 4.527 0.005 0.000 0.360 241 F C -1.475 174.219 175.800 -0.176 0.000 1.101 241 F CA -1.568 56.289 58.000 -0.240 0.000 1.251 241 F CB 0.675 39.621 39.000 -0.091 0.000 1.132 241 F HN 0.519 nan 8.300 nan 0.000 0.570 242 P HA -0.051 nan 4.420 nan 0.000 0.266 242 P C -1.212 176.144 177.300 0.093 0.000 1.193 242 P CA 0.041 63.048 63.100 -0.154 0.000 0.770 242 P CB 0.404 31.960 31.700 -0.241 0.000 0.836 243 D N 1.480 121.897 120.400 0.028 0.000 2.365 243 D HA 0.013 4.656 4.640 0.005 0.000 0.237 243 D C 0.980 177.285 176.300 0.008 0.000 1.190 243 D CA -0.438 53.577 54.000 0.025 0.000 0.867 243 D CB 0.065 40.827 40.800 -0.063 0.000 1.050 243 D HN 0.403 nan 8.370 nan 0.000 0.491 244 Y N 3.759 124.072 120.300 0.022 0.000 2.298 244 Y HA -0.194 4.359 4.550 0.005 0.000 0.287 244 Y C 1.742 177.628 175.900 -0.023 0.000 1.164 244 Y CA 1.091 59.188 58.100 -0.006 0.000 1.229 244 Y CB -0.303 38.143 38.460 -0.024 0.000 0.977 244 Y HN 0.262 nan 8.280 nan 0.000 0.538 245 R N 0.502 120.549 120.500 -0.756 0.000 2.120 245 R HA -0.070 4.273 4.340 0.005 0.000 0.234 245 R C 2.223 178.382 176.300 -0.235 0.000 1.123 245 R CA 1.722 57.471 56.100 -0.584 0.000 0.975 245 R CB -0.263 29.697 30.300 -0.566 0.000 0.866 245 R HN 0.415 nan 8.270 nan 0.000 0.446 246 R N -0.077 120.325 120.500 -0.162 0.000 2.276 246 R HA -0.019 4.324 4.340 0.005 0.000 0.203 246 R C 2.099 178.370 176.300 -0.047 0.000 1.017 246 R CA 0.819 56.866 56.100 -0.088 0.000 1.010 246 R CB 0.186 30.442 30.300 -0.072 0.000 0.900 246 R HN 0.183 nan 8.270 nan 0.000 0.469 247 V N -0.256 119.641 119.914 -0.029 0.000 2.949 247 V HA 0.165 4.288 4.120 0.005 0.000 0.245 247 V C 0.713 176.818 176.094 0.018 0.000 1.086 247 V CA 0.233 62.536 62.300 0.004 0.000 1.097 247 V CB 0.083 31.916 31.823 0.015 0.000 0.762 247 V HN 0.032 nan 8.190 nan 0.000 0.470 248 L N 2.718 123.955 121.223 0.024 0.000 2.540 248 L HA 0.202 4.545 4.340 0.005 0.000 0.276 248 L C -1.941 174.942 176.870 0.021 0.000 1.212 248 L CA -1.097 53.763 54.840 0.033 0.000 0.893 248 L CB -0.321 41.764 42.059 0.043 0.000 1.138 248 L HN 0.241 nan 8.230 nan 0.000 0.491 249 P HA 0.007 nan 4.420 nan 0.000 0.268 249 P C 0.278 177.596 177.300 0.031 0.000 1.204 249 P CA -0.117 63.005 63.100 0.035 0.000 0.768 249 P CB 0.673 32.404 31.700 0.050 0.000 0.842 250 K N 2.651 123.066 120.400 0.024 0.000 2.097 250 K HA -0.126 4.198 4.320 0.005 0.000 0.205 250 K C 0.278 176.896 176.600 0.030 0.000 1.050 250 K CA 1.240 57.537 56.287 0.018 0.000 0.938 250 K CB 0.045 32.550 32.500 0.009 0.000 0.718 250 K HN 0.325 nan 8.250 nan 0.000 0.442 251 N N 0.254 118.979 118.700 0.042 0.000 2.710 251 N HA 0.170 4.913 4.740 0.005 0.000 0.244 251 N C -2.881 172.675 175.510 0.078 0.000 1.321 251 N CA -1.605 51.477 53.050 0.054 0.000 0.758 251 N CB 1.659 40.169 38.487 0.040 0.000 1.284 251 N HN -0.089 nan 8.380 nan 0.000 0.530 252 P HA 0.243 nan 4.420 nan 0.000 0.225 252 P C -0.069 177.370 177.300 0.230 0.000 1.830 252 P CA -0.192 62.994 63.100 0.143 0.000 1.051 252 P CB 0.286 32.056 31.700 0.118 0.000 1.929 253 D N 1.275 121.770 120.400 0.159 0.000 2.277 253 D HA -0.097 4.546 4.640 0.005 0.000 0.208 253 D C -0.046 176.303 176.300 0.081 0.000 0.962 253 D CA 0.573 54.625 54.000 0.086 0.000 0.865 253 D CB 0.078 40.892 40.800 0.023 0.000 0.939 253 D HN 0.262 nan 8.370 nan 0.000 0.510 254 K N 1.146 121.671 120.400 0.208 0.000 2.250 254 K HA 0.212 4.536 4.320 0.005 0.000 0.285 254 K C -0.530 176.351 176.600 0.468 0.000 1.097 254 K CA -0.203 56.235 56.287 0.252 0.000 0.913 254 K CB 0.490 33.172 32.500 0.302 0.000 1.179 254 K HN 0.292 nan 8.250 nan 0.000 0.462 255 H N 2.642 121.811 119.070 0.166 0.000 2.604 255 H HA 0.162 4.721 4.556 0.005 0.000 0.306 255 H C -0.531 174.977 175.328 0.300 0.000 1.075 255 H CA -0.863 55.297 56.048 0.187 0.000 1.357 255 H CB 1.333 31.160 29.762 0.107 0.000 1.426 255 H HN 0.315 nan 8.280 nan 0.000 0.470 256 L N 3.871 125.333 121.223 0.398 0.000 2.275 256 L HA 0.271 4.615 4.340 0.005 0.000 0.288 256 L C -0.420 176.571 176.870 0.202 0.000 1.046 256 L CA -0.392 54.643 54.840 0.325 0.000 0.805 256 L CB 0.704 42.859 42.059 0.159 0.000 1.193 256 L HN 0.629 nan 8.230 nan 0.000 0.426 257 E N 4.291 124.599 120.200 0.180 0.000 2.171 257 E HA 0.745 5.098 4.350 0.005 0.000 0.271 257 E C -1.181 175.479 176.600 0.099 0.000 0.916 257 E CA -0.756 55.718 56.400 0.124 0.000 0.774 257 E CB 2.062 31.830 29.700 0.113 0.000 1.128 257 E HN 0.725 nan 8.360 nan 0.000 0.403 258 A N 1.863 124.731 122.820 0.080 0.000 2.572 258 A HA 0.682 5.005 4.320 0.005 0.000 0.295 258 A C -0.183 177.432 177.584 0.051 0.000 1.072 258 A CA -0.470 51.604 52.037 0.062 0.000 0.691 258 A CB 1.470 20.506 19.000 0.060 0.000 1.291 258 A HN 0.621 nan 8.150 nan 0.000 0.404 259 G N -0.226 108.597 108.800 0.038 0.000 2.305 259 G HA2 0.283 4.247 3.960 0.005 0.000 0.243 259 G HA3 0.283 4.247 3.960 0.005 0.000 0.243 259 G C 1.124 176.044 174.900 0.034 0.000 1.288 259 G CA 0.482 45.601 45.100 0.031 0.000 0.901 259 G HN 1.371 nan 8.290 nan 0.000 0.516 260 C N 1.969 121.287 119.300 0.030 0.000 2.413 260 C HA -0.121 4.342 4.460 0.005 0.000 0.277 260 C C 2.394 177.400 174.990 0.028 0.000 1.228 260 C CA 1.825 60.861 59.018 0.029 0.000 1.731 260 C CB -0.738 27.010 27.740 0.014 0.000 2.042 260 C HN 0.952 nan 8.230 nan 0.000 0.468 261 D N -0.483 119.927 120.400 0.017 0.000 2.117 261 D HA -0.104 4.539 4.640 0.005 0.000 0.198 261 D C 2.117 178.426 176.300 0.016 0.000 0.982 261 D CA 0.954 54.962 54.000 0.013 0.000 0.828 261 D CB -0.130 40.673 40.800 0.006 0.000 0.967 261 D HN 0.266 nan 8.370 nan 0.000 0.464 262 L N 0.409 121.638 121.223 0.011 0.000 2.042 262 L HA -0.134 4.210 4.340 0.005 0.000 0.210 262 L C 2.356 179.222 176.870 -0.007 0.000 1.076 262 L CA 1.204 56.044 54.840 -0.000 0.000 0.749 262 L CB -1.266 40.791 42.059 -0.003 0.000 0.893 262 L HN 0.289 nan 8.230 nan 0.000 0.432 263 L N -0.143 121.090 121.223 0.015 0.000 2.017 263 L HA -0.203 4.141 4.340 0.005 0.000 0.208 263 L C 2.649 179.592 176.870 0.121 0.000 1.073 263 L CA 1.759 56.617 54.840 0.030 0.000 0.745 263 L CB -0.623 41.500 42.059 0.106 0.000 0.894 263 L HN 0.184 nan 8.230 nan 0.000 0.432 264 K N -1.051 119.428 120.400 0.133 0.000 2.009 264 K HA -0.215 4.108 4.320 0.005 0.000 0.210 264 K C 2.063 178.729 176.600 0.109 0.000 1.049 264 K CA 1.664 58.035 56.287 0.140 0.000 0.929 264 K CB -0.095 32.438 32.500 0.054 0.000 0.714 264 K HN 0.411 nan 8.250 nan 0.000 0.440 265 Q N -0.171 119.658 119.800 0.048 0.000 2.124 265 Q HA -0.122 4.221 4.340 0.005 0.000 0.202 265 Q C 2.078 178.084 176.000 0.011 0.000 0.977 265 Q CA 1.465 57.283 55.803 0.025 0.000 0.850 265 Q CB -0.326 28.416 28.738 0.006 0.000 0.901 265 Q HN 0.393 nan 8.270 nan 0.000 0.429 266 A N 0.333 123.131 122.820 -0.037 0.000 1.877 266 A HA -0.155 4.168 4.320 0.005 0.000 0.216 266 A C 1.914 179.445 177.584 -0.089 0.000 1.186 266 A CA 1.191 53.163 52.037 -0.108 0.000 0.620 266 A CB -0.806 18.064 19.000 -0.215 0.000 0.822 266 A HN 0.243 nan 8.150 nan 0.000 0.443 267 F N 0.318 120.284 119.950 0.026 0.000 2.126 267 F HA -0.135 4.396 4.527 0.005 0.000 0.299 267 F C 2.833 178.644 175.800 0.018 0.000 1.096 267 F CA 0.865 58.887 58.000 0.036 0.000 1.255 267 F CB -0.831 38.197 39.000 0.047 0.000 0.997 267 F HN 0.262 nan 8.300 nan 0.000 0.479 268 A N 0.036 122.969 122.820 0.188 0.000 1.908 268 A HA -0.202 4.121 4.320 0.005 0.000 0.218 268 A C 2.357 179.979 177.584 0.063 0.000 1.181 268 A CA 1.725 53.819 52.037 0.095 0.000 0.627 268 A CB -0.638 18.396 19.000 0.057 0.000 0.818 268 A HN 0.327 nan 8.150 nan 0.000 0.445 269 R N -0.695 119.833 120.500 0.046 0.000 2.066 269 R HA -0.026 4.317 4.340 0.005 0.000 0.232 269 R C 2.524 178.844 176.300 0.034 0.000 1.131 269 R CA 1.148 57.264 56.100 0.026 0.000 0.955 269 R CB -0.482 29.822 30.300 0.007 0.000 0.851 269 R HN 0.499 nan 8.270 nan 0.000 0.432 270 A N 1.392 124.240 122.820 0.048 0.000 1.940 270 A HA -0.135 4.188 4.320 0.005 0.000 0.219 270 A C 2.358 179.985 177.584 0.072 0.000 1.176 270 A CA 1.711 53.783 52.037 0.058 0.000 0.631 270 A CB -0.627 18.419 19.000 0.077 0.000 0.814 270 A HN 0.407 nan 8.150 nan 0.000 0.446 271 A N -0.042 122.832 122.820 0.091 0.000 2.019 271 A HA -0.087 4.236 4.320 0.005 0.000 0.219 271 A C 2.000 179.604 177.584 0.032 0.000 1.164 271 A CA 1.395 53.472 52.037 0.066 0.000 0.644 271 A CB -0.685 18.354 19.000 0.065 0.000 0.805 271 A HN 0.536 nan 8.150 nan 0.000 0.449 272 I N -0.740 119.846 120.570 0.027 0.000 2.248 272 I HA -0.245 3.928 4.170 0.005 0.000 0.248 272 I C 1.315 177.438 176.117 0.010 0.000 1.107 272 I CA 1.221 62.528 61.300 0.012 0.000 1.373 272 I CB -0.164 37.842 38.000 0.010 0.000 1.055 272 I HN 0.249 nan 8.210 nan 0.000 0.418 273 L N 0.146 121.379 121.223 0.017 0.000 2.965 273 L HA 0.199 4.542 4.340 0.005 0.000 0.254 273 L C 0.862 177.745 176.870 0.020 0.000 1.220 273 L CA -0.383 54.466 54.840 0.015 0.000 1.023 273 L CB -0.184 41.884 42.059 0.014 0.000 1.355 273 L HN 0.169 nan 8.230 nan 0.000 0.545 274 S N -1.338 114.375 115.700 0.022 0.000 2.652 274 S HA 0.199 4.672 4.470 0.005 0.000 0.270 274 S C 0.263 174.872 174.600 0.015 0.000 1.243 274 S CA -0.690 57.525 58.200 0.025 0.000 0.999 274 S CB 1.307 64.526 63.200 0.032 0.000 0.973 274 S HN 0.260 nan 8.310 nan 0.000 0.544 275 N N 1.175 119.891 118.700 0.028 0.000 2.411 275 N HA -0.050 4.693 4.740 0.005 0.000 0.261 275 N C 0.837 176.330 175.510 -0.028 0.000 1.248 275 N CA 0.344 53.411 53.050 0.029 0.000 0.885 275 N CB 0.362 38.913 38.487 0.106 0.000 1.062 275 N HN 0.760 nan 8.380 nan 0.000 0.471 276 E N 3.094 123.258 120.200 -0.060 0.000 2.204 276 E HA -0.170 4.183 4.350 0.005 0.000 0.194 276 E C 0.951 177.440 176.600 -0.186 0.000 0.989 276 E CA 1.099 57.439 56.400 -0.100 0.000 0.824 276 E CB 0.325 29.976 29.700 -0.081 0.000 0.756 276 E HN 0.606 nan 8.360 nan 0.000 0.477 277 K N -0.346 119.872 120.400 -0.303 0.000 2.141 277 K HA 0.049 4.372 4.320 0.005 0.000 0.202 277 K C 1.416 177.604 176.600 -0.687 0.000 1.045 277 K CA 0.716 56.632 56.287 -0.618 0.000 0.971 277 K CB 0.192 32.066 32.500 -1.043 0.000 0.795 277 K HN 0.004 nan 8.250 nan 0.000 0.459 278 F N 0.363 120.270 119.950 -0.073 0.000 2.717 278 F HA 0.253 4.783 4.527 0.005 0.000 0.295 278 F C 0.276 176.009 175.800 -0.111 0.000 1.117 278 F CA -0.174 57.772 58.000 -0.091 0.000 1.361 278 F CB 0.298 39.259 39.000 -0.064 0.000 1.112 278 F HN -0.151 nan 8.300 nan 0.000 0.594 279 R N -0.034 120.480 120.500 0.023 0.000 3.863 279 R HA -0.156 4.187 4.340 0.005 0.000 0.313 279 R C 0.660 176.966 176.300 0.010 0.000 1.202 279 R CA 0.530 56.615 56.100 -0.026 0.000 0.852 279 R CB -2.519 27.713 30.300 -0.114 0.000 1.292 279 R HN 0.390 nan 8.270 nan 0.000 0.519 280 G N 1.043 109.870 108.800 0.045 0.000 2.378 280 G HA2 0.427 4.390 3.960 0.005 0.000 0.255 280 G HA3 0.427 4.390 3.960 0.005 0.000 0.255 280 G C 0.386 175.301 174.900 0.025 0.000 1.270 280 G CA 0.154 45.275 45.100 0.035 0.000 0.876 280 G HN 0.224 nan 8.290 nan 0.000 0.521 281 V N 0.486 120.407 119.914 0.011 0.000 3.001 281 V HA 0.816 4.939 4.120 0.005 0.000 0.314 281 V C -0.393 175.602 176.094 -0.166 0.000 1.099 281 V CA -1.642 60.654 62.300 -0.006 0.000 0.989 281 V CB 2.114 34.017 31.823 0.132 0.000 1.040 281 V HN 0.758 nan 8.190 nan 0.000 0.434 282 R N 2.296 122.703 120.500 -0.154 0.000 2.514 282 R HA 0.752 5.096 4.340 0.005 0.000 0.301 282 R C -1.684 174.427 176.300 -0.314 0.000 0.962 282 R CA -0.765 55.148 56.100 -0.311 0.000 0.882 282 R CB 1.909 32.026 30.300 -0.305 0.000 1.143 282 R HN 0.602 nan 8.270 nan 0.000 0.452 283 L N 3.237 124.193 121.223 -0.445 0.000 2.317 283 L HA 0.402 4.745 4.340 0.005 0.000 0.281 283 L C -1.008 175.595 176.870 -0.445 0.000 1.024 283 L CA -0.407 54.252 54.840 -0.302 0.000 0.810 283 L CB 0.894 42.832 42.059 -0.201 0.000 1.240 283 L HN 0.480 nan 8.230 nan 0.000 0.427 284 Y N 2.529 122.773 120.300 -0.093 0.000 2.345 284 Y HA 0.574 5.128 4.550 0.005 0.000 0.331 284 Y C -0.116 175.722 175.900 -0.103 0.000 0.959 284 Y CA -0.774 57.278 58.100 -0.081 0.000 1.204 284 Y CB 2.011 40.435 38.460 -0.059 0.000 1.135 284 Y HN 0.283 nan 8.280 nan 0.000 0.477 285 V N 4.621 124.519 119.914 -0.027 0.000 2.435 285 V HA 0.812 4.935 4.120 0.005 0.000 0.290 285 V C -0.502 175.551 176.094 -0.068 0.000 1.030 285 V CA -0.107 62.080 62.300 -0.188 0.000 0.881 285 V CB 1.293 32.803 31.823 -0.523 0.000 0.983 285 V HN 0.875 nan 8.190 nan 0.000 0.445 286 S N 3.699 119.402 115.700 0.006 0.000 2.705 286 S HA 0.506 4.979 4.470 0.005 0.000 0.280 286 S C -0.442 174.324 174.600 0.277 0.000 1.174 286 S CA -0.792 57.509 58.200 0.168 0.000 0.823 286 S CB 1.323 64.583 63.200 0.100 0.000 1.162 286 S HN 0.864 nan 8.310 nan 0.000 0.487 287 E N 1.132 121.465 120.200 0.221 0.000 2.606 287 E HA -0.025 4.328 4.350 0.005 0.000 0.248 287 E C -0.287 176.406 176.600 0.155 0.000 1.005 287 E CA 0.344 56.855 56.400 0.186 0.000 0.946 287 E CB -0.281 29.474 29.700 0.091 0.000 0.928 287 E HN 0.547 nan 8.360 nan 0.000 0.494 288 N N 3.028 121.840 118.700 0.188 0.000 2.666 288 N HA -0.270 4.473 4.740 0.005 0.000 0.248 288 N C -0.863 174.706 175.510 0.098 0.000 1.118 288 N CA 1.271 54.404 53.050 0.139 0.000 0.722 288 N CB -0.813 37.725 38.487 0.085 0.000 1.050 288 N HN 0.686 nan 8.380 nan 0.000 0.550 289 Q N -0.081 119.776 119.800 0.095 0.000 2.345 289 Q HA 0.580 4.923 4.340 0.005 0.000 0.275 289 Q C -1.768 174.235 176.000 0.005 0.000 1.063 289 Q CA -0.817 55.011 55.803 0.041 0.000 0.819 289 Q CB 1.755 30.513 28.738 0.033 0.000 1.356 289 Q HN 0.184 nan 8.270 nan 0.000 0.418 290 L N 3.096 124.310 121.223 -0.015 0.000 2.385 290 L HA 0.585 4.928 4.340 0.005 0.000 0.273 290 L C -1.600 175.255 176.870 -0.026 0.000 0.990 290 L CA -0.174 54.644 54.840 -0.036 0.000 0.821 290 L CB 1.761 43.786 42.059 -0.057 0.000 1.279 290 L HN 0.588 nan 8.230 nan 0.000 0.412 291 K N 5.615 126.025 120.400 0.018 0.000 2.323 291 K HA 0.644 4.967 4.320 0.005 0.000 0.259 291 K C -1.535 175.111 176.600 0.076 0.000 0.947 291 K CA -0.536 55.775 56.287 0.039 0.000 0.819 291 K CB 1.125 33.656 32.500 0.052 0.000 1.109 291 K HN 0.718 nan 8.250 nan 0.000 0.429 292 I N 3.442 124.012 120.570 -0.000 0.000 2.404 292 I HA 0.270 4.444 4.170 0.005 0.000 0.293 292 I C -0.075 176.066 176.117 0.041 0.000 0.992 292 I CA -0.618 60.675 61.300 -0.013 0.000 1.149 292 I CB 2.125 40.025 38.000 -0.166 0.000 1.315 292 I HN 0.701 nan 8.210 nan 0.000 0.446 293 T N 2.429 117.032 114.554 0.081 0.000 2.916 293 T HA 0.932 5.285 4.350 0.005 0.000 0.292 293 T C -0.716 174.019 174.700 0.058 0.000 1.055 293 T CA -0.904 61.244 62.100 0.080 0.000 1.009 293 T CB 2.246 71.198 68.868 0.139 0.000 1.118 293 T HN 0.744 nan 8.240 nan 0.000 0.497 294 A N 2.084 124.933 122.820 0.049 0.000 2.520 294 A HA 0.869 5.192 4.320 0.005 0.000 0.298 294 A C -1.034 176.570 177.584 0.034 0.000 1.051 294 A CA -1.105 50.958 52.037 0.044 0.000 0.690 294 A CB 1.368 20.401 19.000 0.054 0.000 1.281 294 A HN 1.258 nan 8.150 nan 0.000 0.402 295 N N 0.285 119.003 118.700 0.031 0.000 2.610 295 N HA 0.706 5.449 4.740 0.005 0.000 0.264 295 N C -1.071 174.455 175.510 0.026 0.000 1.348 295 N CA -0.697 52.369 53.050 0.025 0.000 0.819 295 N CB 1.135 39.636 38.487 0.023 0.000 1.521 295 N HN 0.686 nan 8.380 nan 0.000 0.497 296 N N -2.024 116.690 118.700 0.023 0.000 2.629 296 N HA 0.583 5.327 4.740 0.005 0.000 0.279 296 N C -2.543 172.981 175.510 0.023 0.000 1.344 296 N CA -1.944 51.121 53.050 0.025 0.000 0.789 296 N CB 0.568 39.065 38.487 0.017 0.000 1.508 296 N HN 0.306 nan 8.380 nan 0.000 0.516 297 P HA -0.030 nan 4.420 nan 0.000 0.222 297 P C 0.111 177.420 177.300 0.016 0.000 1.147 297 P CA 1.168 64.283 63.100 0.024 0.000 0.790 297 P CB 0.198 31.916 31.700 0.030 0.000 0.780 298 E N -0.427 119.780 120.200 0.012 0.000 2.494 298 E HA -0.039 4.314 4.350 0.005 0.000 0.193 298 E C 0.219 176.823 176.600 0.007 0.000 1.074 298 E CA 0.024 56.428 56.400 0.008 0.000 0.867 298 E CB -0.227 29.476 29.700 0.005 0.000 0.924 298 E HN 0.049 nan 8.360 nan 0.000 0.502 299 Q N -0.589 119.217 119.800 0.010 0.000 2.460 299 Q HA -0.198 4.145 4.340 0.005 0.000 0.248 299 Q C -0.777 175.228 176.000 0.007 0.000 0.847 299 Q CA 1.118 56.926 55.803 0.009 0.000 1.214 299 Q CB -2.185 26.557 28.738 0.006 0.000 1.523 299 Q HN 0.519 nan 8.270 nan 0.000 0.602 300 E N 0.741 120.945 120.200 0.008 0.000 2.349 300 E HA 0.422 4.775 4.350 0.005 0.000 0.265 300 E C -0.059 176.547 176.600 0.010 0.000 1.064 300 E CA -0.103 56.301 56.400 0.007 0.000 0.886 300 E CB 0.749 30.453 29.700 0.006 0.000 1.036 300 E HN 0.114 nan 8.360 nan 0.000 0.413 301 E N 0.150 120.355 120.200 0.008 0.000 2.308 301 E HA 0.568 4.921 4.350 0.005 0.000 0.275 301 E C -1.496 175.110 176.600 0.009 0.000 0.890 301 E CA -0.859 55.548 56.400 0.011 0.000 0.754 301 E CB 2.078 31.783 29.700 0.008 0.000 1.207 301 E HN 0.483 nan 8.360 nan 0.000 0.426 302 A N 2.313 125.141 122.820 0.014 0.000 2.355 302 A HA 0.671 4.995 4.320 0.005 0.000 0.324 302 A C -0.869 176.720 177.584 0.010 0.000 1.117 302 A CA -0.522 51.521 52.037 0.011 0.000 0.785 302 A CB 1.573 20.583 19.000 0.016 0.000 1.254 302 A HN 0.641 nan 8.150 nan 0.000 0.453 303 E N 0.998 121.197 120.200 -0.002 0.000 2.290 303 E HA 0.407 4.760 4.350 0.005 0.000 0.274 303 E C -1.520 175.066 176.600 -0.024 0.000 0.889 303 E CA -0.430 55.965 56.400 -0.008 0.000 0.760 303 E CB 1.378 31.069 29.700 -0.015 0.000 1.206 303 E HN 0.618 nan 8.360 nan 0.000 0.419 304 E N 4.417 124.594 120.200 -0.039 0.000 2.224 304 E HA 0.429 4.783 4.350 0.005 0.000 0.265 304 E C -0.561 176.001 176.600 -0.064 0.000 0.878 304 E CA -0.605 55.757 56.400 -0.063 0.000 0.759 304 E CB 1.926 31.561 29.700 -0.107 0.000 1.164 304 E HN 0.495 nan 8.360 nan 0.000 0.414 305 I N 4.199 124.737 120.570 -0.054 0.000 2.474 305 I HA 0.487 4.661 4.170 0.005 0.000 0.294 305 I C -0.052 176.037 176.117 -0.047 0.000 1.005 305 I CA -1.009 60.263 61.300 -0.046 0.000 1.113 305 I CB 1.298 39.278 38.000 -0.034 0.000 1.289 305 I HN 0.317 nan 8.210 nan 0.000 0.436 306 L N 1.772 122.967 121.223 -0.046 0.000 2.424 306 L HA 0.705 5.048 4.340 0.005 0.000 0.258 306 L C -1.336 175.526 176.870 -0.014 0.000 0.995 306 L CA -1.046 53.773 54.840 -0.035 0.000 0.821 306 L CB 2.148 44.177 42.059 -0.051 0.000 1.383 306 L HN 0.264 nan 8.230 nan 0.000 0.410 307 D N 2.289 122.688 120.400 -0.002 0.000 2.351 307 D HA 0.480 5.123 4.640 0.005 0.000 0.251 307 D C 0.166 176.481 176.300 0.025 0.000 1.137 307 D CA 0.188 54.197 54.000 0.015 0.000 0.879 307 D CB 2.083 42.892 40.800 0.016 0.000 1.181 307 D HN 0.622 nan 8.370 nan 0.000 0.448 308 V N -0.555 119.387 119.914 0.046 0.000 3.156 308 V HA 0.661 4.784 4.120 0.005 0.000 0.311 308 V C -0.040 176.112 176.094 0.097 0.000 1.208 308 V CA -0.854 61.486 62.300 0.068 0.000 1.063 308 V CB 1.891 33.758 31.823 0.073 0.000 1.098 308 V HN 0.358 nan 8.190 nan 0.000 0.452 309 T N 2.525 117.149 114.554 0.116 0.000 2.733 309 T HA 0.638 4.991 4.350 0.005 0.000 0.294 309 T C -1.337 173.494 174.700 0.218 0.000 0.956 309 T CA 0.254 62.431 62.100 0.128 0.000 0.987 309 T CB -0.184 68.741 68.868 0.096 0.000 0.920 309 T HN 0.877 nan 8.240 nan 0.000 0.470 310 Y N 2.312 122.642 120.300 0.050 0.000 2.333 310 Y HA 0.395 4.948 4.550 0.005 0.000 0.319 310 Y C 0.003 175.929 175.900 0.043 0.000 1.200 310 Y CA -0.996 57.138 58.100 0.057 0.000 1.084 310 Y CB 1.464 39.961 38.460 0.062 0.000 1.268 310 Y HN 0.544 nan 8.280 nan 0.000 0.422 311 S N 2.078 117.423 115.700 -0.591 0.000 2.952 311 S HA 0.491 4.964 4.470 0.005 0.000 0.251 311 S C 0.400 174.679 174.600 -0.535 0.000 1.021 311 S CA -0.059 57.894 58.200 -0.413 0.000 1.067 311 S CB 0.289 63.375 63.200 -0.189 0.000 1.002 311 S HN 0.917 nan 8.310 nan 0.000 0.574 312 G N 1.254 109.398 108.800 -1.094 0.000 2.543 312 G HA2 0.656 4.619 3.960 0.005 0.000 0.290 312 G HA3 0.656 4.619 3.960 0.005 0.000 0.290 312 G C 0.150 174.957 174.900 -0.155 0.000 1.310 312 G CA -0.494 44.281 45.100 -0.542 0.000 1.025 312 G HN 0.682 nan 8.290 nan 0.000 0.502 313 A N -0.432 122.405 122.820 0.028 0.000 2.531 313 A HA 0.313 4.636 4.320 0.005 0.000 0.236 313 A C 0.587 178.317 177.584 0.243 0.000 1.062 313 A CA 0.039 52.142 52.037 0.110 0.000 0.760 313 A CB -0.081 18.968 19.000 0.081 0.000 0.995 313 A HN 0.650 nan 8.150 nan 0.000 0.501 314 E N 0.414 120.730 120.200 0.194 0.000 2.442 314 E HA 0.322 4.675 4.350 0.005 0.000 0.262 314 E C 0.012 176.690 176.600 0.129 0.000 1.004 314 E CA 0.789 57.295 56.400 0.177 0.000 0.928 314 E CB 0.261 30.034 29.700 0.122 0.000 0.937 314 E HN 0.692 nan 8.360 nan 0.000 0.446 315 M N -0.200 119.456 119.600 0.093 0.000 2.895 315 M HA 0.423 4.906 4.480 0.005 0.000 0.271 315 M C -1.499 174.795 176.300 -0.010 0.000 1.174 315 M CA -0.930 54.400 55.300 0.050 0.000 0.816 315 M CB 1.998 34.633 32.600 0.060 0.000 1.647 315 M HN 0.306 nan 8.290 nan 0.000 0.506 316 E N 1.019 121.184 120.200 -0.058 0.000 2.266 316 E HA 0.850 5.203 4.350 0.005 0.000 0.268 316 E C -2.112 174.373 176.600 -0.192 0.000 0.879 316 E CA -0.905 55.375 56.400 -0.201 0.000 0.762 316 E CB 2.894 32.463 29.700 -0.217 0.000 1.199 316 E HN 0.750 nan 8.360 nan 0.000 0.422 317 I N 2.427 122.830 120.570 -0.279 0.000 2.722 317 I HA 0.557 4.730 4.170 0.005 0.000 0.292 317 I C -0.891 174.984 176.117 -0.404 0.000 1.267 317 I CA -0.431 60.727 61.300 -0.236 0.000 1.036 317 I CB 1.876 39.808 38.000 -0.113 0.000 1.281 317 I HN 0.615 nan 8.210 nan 0.000 0.423 318 G N 5.174 113.772 108.800 -0.337 0.000 2.441 318 G HA2 0.801 4.764 3.960 0.005 0.000 0.334 318 G HA3 0.801 4.764 3.960 0.005 0.000 0.334 318 G C -1.410 173.289 174.900 -0.335 0.000 1.161 318 G CA -0.441 44.406 45.100 -0.421 0.000 0.935 318 G HN 0.649 nan 8.290 nan 0.000 0.488 319 F N -1.578 118.362 119.950 -0.018 0.000 2.817 319 F HA 0.489 5.019 4.527 0.006 0.000 0.317 319 F C -0.886 174.886 175.800 -0.047 0.000 1.168 319 F CA -2.264 55.727 58.000 -0.016 0.000 0.911 319 F CB 0.968 39.964 39.000 -0.007 0.000 1.337 319 F HN 0.393 nan 8.300 nan 0.000 0.464 320 N N 1.358 120.219 118.700 0.269 0.000 2.431 320 N HA 0.088 4.831 4.740 0.005 0.000 0.265 320 N C 0.645 176.146 175.510 -0.014 0.000 1.184 320 N CA 0.271 53.317 53.050 -0.007 0.000 0.943 320 N CB 1.712 39.989 38.487 -0.350 0.000 1.080 320 N HN 0.749 nan 8.380 nan 0.000 0.477 321 V N 3.662 123.573 119.914 -0.005 0.000 2.809 321 V HA -0.144 3.979 4.120 0.005 0.000 0.256 321 V C 1.894 177.914 176.094 -0.125 0.000 1.080 321 V CA 1.632 63.899 62.300 -0.055 0.000 1.102 321 V CB -0.233 31.621 31.823 0.052 0.000 0.705 321 V HN 0.696 nan 8.190 nan 0.000 0.475 322 S N -0.590 115.020 115.700 -0.151 0.000 2.368 322 S HA -0.147 4.327 4.470 0.005 0.000 0.224 322 S C 1.775 176.379 174.600 0.007 0.000 1.029 322 S CA 1.647 59.781 58.200 -0.110 0.000 0.988 322 S CB -0.387 62.718 63.200 -0.157 0.000 0.838 322 S HN 0.711 nan 8.310 nan 0.000 0.462 323 Y N 1.569 121.829 120.300 -0.066 0.000 2.181 323 Y HA -0.058 4.495 4.550 0.005 0.000 0.288 323 Y C 2.559 178.356 175.900 -0.172 0.000 1.146 323 Y CA -0.318 57.746 58.100 -0.060 0.000 1.164 323 Y CB -1.413 37.024 38.460 -0.037 0.000 0.982 323 Y HN 0.044 nan 8.280 nan 0.000 0.515 324 V N 0.106 119.922 119.914 -0.163 0.000 2.295 324 V HA -0.296 3.827 4.120 0.005 0.000 0.246 324 V C 2.479 178.385 176.094 -0.313 0.000 1.049 324 V CA 1.654 63.710 62.300 -0.407 0.000 1.024 324 V CB -0.962 30.349 31.823 -0.853 0.000 0.648 324 V HN 0.329 nan 8.190 nan 0.000 0.447 325 L N -0.266 120.814 121.223 -0.238 0.000 2.083 325 L HA -0.203 4.140 4.340 0.005 0.000 0.209 325 L C 2.396 179.141 176.870 -0.208 0.000 1.083 325 L CA 1.545 56.285 54.840 -0.168 0.000 0.752 325 L CB -0.776 41.227 42.059 -0.093 0.000 0.899 325 L HN 0.332 nan 8.230 nan 0.000 0.433 326 D N -0.318 119.964 120.400 -0.197 0.000 2.133 326 D HA -0.177 4.467 4.640 0.005 0.000 0.195 326 D C 2.279 178.150 176.300 -0.715 0.000 0.997 326 D CA 1.278 55.055 54.000 -0.372 0.000 0.840 326 D CB -0.223 40.512 40.800 -0.108 0.000 0.947 326 D HN 0.100 nan 8.370 nan 0.000 0.452 327 V N 0.733 120.358 119.914 -0.482 0.000 2.307 327 V HA -0.189 3.934 4.120 0.005 0.000 0.245 327 V C 2.612 178.400 176.094 -0.511 0.000 1.045 327 V CA 1.120 63.060 62.300 -0.601 0.000 1.024 327 V CB -0.439 31.132 31.823 -0.421 0.000 0.651 327 V HN 0.193 nan 8.190 nan 0.000 0.449 328 L N 0.170 121.197 121.223 -0.327 0.000 2.093 328 L HA -0.126 4.217 4.340 0.005 0.000 0.208 328 L C 2.447 179.196 176.870 -0.202 0.000 1.085 328 L CA 1.250 55.967 54.840 -0.204 0.000 0.755 328 L CB -0.818 41.183 42.059 -0.098 0.000 0.904 328 L HN 0.376 nan 8.230 nan 0.000 0.435 329 N N 0.663 119.214 118.700 -0.248 0.000 2.166 329 N HA -0.165 4.578 4.740 0.005 0.000 0.186 329 N C 1.889 177.236 175.510 -0.272 0.000 1.019 329 N CA 1.620 54.529 53.050 -0.234 0.000 0.856 329 N CB -0.200 38.150 38.487 -0.229 0.000 0.993 329 N HN 0.337 nan 8.380 nan 0.000 0.426 330 A N 0.958 123.518 122.820 -0.432 0.000 1.968 330 A HA 0.024 4.347 4.320 0.005 0.000 0.217 330 A C 2.382 179.868 177.584 -0.163 0.000 1.169 330 A CA 0.651 52.485 52.037 -0.339 0.000 0.638 330 A CB -0.466 18.241 19.000 -0.488 0.000 0.812 330 A HN 0.172 nan 8.150 nan 0.000 0.446 331 L N -1.594 119.520 121.223 -0.182 0.000 2.072 331 L HA -0.033 4.310 4.340 0.005 0.000 0.205 331 L C 0.833 177.683 176.870 -0.033 0.000 1.079 331 L CA 0.831 55.631 54.840 -0.068 0.000 0.752 331 L CB -0.268 41.749 42.059 -0.070 0.000 0.906 331 L HN 0.326 nan 8.230 nan 0.000 0.436 332 K N 0.312 120.680 120.400 -0.053 0.000 3.311 332 K HA -0.229 4.094 4.320 0.005 0.000 0.270 332 K C -0.264 176.331 176.600 -0.008 0.000 0.927 332 K CA 0.424 56.693 56.287 -0.030 0.000 0.706 332 K CB -1.328 31.157 32.500 -0.026 0.000 1.418 332 K HN 0.616 nan 8.250 nan 0.000 0.459 333 C N -4.167 115.131 119.300 -0.003 0.000 3.157 333 C HA 0.438 4.901 4.460 0.005 0.000 0.368 333 C C 1.779 176.775 174.990 0.011 0.000 1.623 333 C CA -0.886 58.138 59.018 0.009 0.000 1.530 333 C CB 1.492 29.243 27.740 0.019 0.000 2.152 333 C HN 0.472 nan 8.230 nan 0.000 0.456 334 E N 0.760 120.970 120.200 0.017 0.000 2.042 334 E HA 0.067 4.420 4.350 0.005 0.000 0.189 334 E C -0.124 176.490 176.600 0.024 0.000 0.974 334 E CA 1.082 57.493 56.400 0.019 0.000 0.806 334 E CB 0.022 29.733 29.700 0.020 0.000 0.769 334 E HN 0.686 nan 8.360 nan 0.000 0.451 335 N N -0.499 118.218 118.700 0.029 0.000 2.229 335 N HA 0.374 5.117 4.740 0.005 0.000 0.298 335 N C -1.618 173.916 175.510 0.040 0.000 1.114 335 N CA -0.484 52.589 53.050 0.037 0.000 0.776 335 N CB 2.987 41.499 38.487 0.042 0.000 1.501 335 N HN -0.188 nan 8.380 nan 0.000 0.474 336 V N 0.948 120.891 119.914 0.047 0.000 2.667 336 V HA 0.494 4.617 4.120 0.005 0.000 0.308 336 V C -0.251 175.876 176.094 0.054 0.000 1.048 336 V CA -0.715 61.614 62.300 0.048 0.000 0.928 336 V CB 1.764 33.616 31.823 0.048 0.000 1.004 336 V HN 0.582 nan 8.190 nan 0.000 0.444 337 R N 4.204 124.726 120.500 0.037 0.000 2.310 337 R HA 0.618 4.961 4.340 0.005 0.000 0.324 337 R C -1.057 175.239 176.300 -0.008 0.000 0.955 337 R CA -0.505 55.602 56.100 0.013 0.000 0.830 337 R CB 0.978 31.257 30.300 -0.034 0.000 1.154 337 R HN 0.722 nan 8.270 nan 0.000 0.458 338 M N 6.164 125.781 119.600 0.029 0.000 2.088 338 M HA 0.335 4.818 4.480 0.005 0.000 0.346 338 M C -0.694 175.622 176.300 0.028 0.000 1.111 338 M CA -0.340 54.984 55.300 0.041 0.000 1.017 338 M CB 1.952 34.616 32.600 0.106 0.000 1.568 338 M HN 0.388 nan 8.290 nan 0.000 0.445 339 M N 4.660 124.247 119.600 -0.021 0.000 2.055 339 M HA 0.445 4.928 4.480 0.005 0.000 0.347 339 M C -1.199 175.163 176.300 0.104 0.000 1.123 339 M CA -0.627 54.666 55.300 -0.012 0.000 1.035 339 M CB 0.745 33.248 32.600 -0.162 0.000 1.484 339 M HN 0.392 nan 8.290 nan 0.000 0.428 340 L N 2.156 123.485 121.223 0.176 0.000 2.334 340 L HA 0.638 4.981 4.340 0.005 0.000 0.272 340 L C 0.762 177.724 176.870 0.154 0.000 1.020 340 L CA 0.126 55.062 54.840 0.160 0.000 0.812 340 L CB 1.767 43.930 42.059 0.173 0.000 1.264 340 L HN 0.670 nan 8.230 nan 0.000 0.439 341 T N -0.317 114.308 114.554 0.118 0.000 3.272 341 T HA 0.260 4.614 4.350 0.005 0.000 0.247 341 T C -0.701 174.049 174.700 0.083 0.000 0.990 341 T CA 0.421 62.578 62.100 0.096 0.000 1.213 341 T CB 0.866 69.780 68.868 0.076 0.000 1.124 341 T HN 0.775 nan 8.240 nan 0.000 0.401 342 D N -0.555 119.886 120.400 0.069 0.000 2.738 342 D HA 0.202 4.845 4.640 0.005 0.000 0.308 342 D C 0.685 177.006 176.300 0.036 0.000 1.311 342 D CA 0.030 54.061 54.000 0.052 0.000 0.799 342 D CB 0.128 40.954 40.800 0.043 0.000 1.332 342 D HN 0.080 nan 8.370 nan 0.000 0.441 343 S N -1.137 114.573 115.700 0.015 0.000 2.507 343 S HA -0.067 4.406 4.470 0.005 0.000 0.235 343 S C 1.547 176.148 174.600 0.003 0.000 0.988 343 S CA 1.058 59.253 58.200 -0.008 0.000 0.944 343 S CB -0.777 62.407 63.200 -0.026 0.000 0.762 343 S HN 1.116 nan 8.310 nan 0.000 0.526 344 V N -2.346 117.578 119.914 0.017 0.000 3.319 344 V HA 0.529 4.652 4.120 0.005 0.000 0.317 344 V C 0.090 176.203 176.094 0.032 0.000 1.411 344 V CA -0.507 61.805 62.300 0.020 0.000 1.112 344 V CB -0.367 31.465 31.823 0.014 0.000 1.031 344 V HN 0.291 nan 8.190 nan 0.000 0.448 345 S N 0.070 115.796 115.700 0.044 0.000 2.634 345 S HA 0.675 5.149 4.470 0.005 0.000 0.296 345 S C 0.120 174.763 174.600 0.073 0.000 1.104 345 S CA -0.371 57.860 58.200 0.053 0.000 0.920 345 S CB 2.029 65.260 63.200 0.052 0.000 1.111 345 S HN 0.449 nan 8.310 nan 0.000 0.493 346 S N 0.841 116.584 115.700 0.071 0.000 2.600 346 S HA 0.421 4.894 4.470 0.005 0.000 0.265 346 S C -0.361 174.295 174.600 0.093 0.000 1.325 346 S CA -0.572 57.678 58.200 0.084 0.000 1.002 346 S CB 0.491 63.730 63.200 0.065 0.000 0.921 346 S HN 0.460 nan 8.310 nan 0.000 0.554 347 V N 1.925 121.898 119.914 0.099 0.000 2.459 347 V HA 0.429 4.552 4.120 0.005 0.000 0.295 347 V C -0.053 176.071 176.094 0.051 0.000 1.029 347 V CA -0.642 61.713 62.300 0.091 0.000 0.874 347 V CB 1.521 33.416 31.823 0.121 0.000 0.985 347 V HN 0.820 nan 8.190 nan 0.000 0.438 348 Q N 4.148 123.975 119.800 0.045 0.000 2.293 348 Q HA 0.704 5.047 4.340 0.005 0.000 0.261 348 Q C -1.465 174.548 176.000 0.023 0.000 0.960 348 Q CA -0.526 55.297 55.803 0.033 0.000 0.882 348 Q CB 1.653 30.405 28.738 0.024 0.000 1.275 348 Q HN 0.747 nan 8.270 nan 0.000 0.445 349 I N 2.868 123.475 120.570 0.062 0.000 2.509 349 I HA 0.480 4.653 4.170 0.005 0.000 0.293 349 I C -0.554 175.652 176.117 0.149 0.000 1.020 349 I CA -0.665 60.680 61.300 0.074 0.000 1.088 349 I CB 2.097 40.127 38.000 0.050 0.000 1.267 349 I HN 0.660 nan 8.210 nan 0.000 0.430 350 E N 2.723 122.978 120.200 0.093 0.000 2.413 350 E HA 0.187 4.541 4.350 0.005 0.000 0.277 350 E C -1.579 175.070 176.600 0.082 0.000 0.958 350 E CA -0.980 55.483 56.400 0.105 0.000 0.779 350 E CB 2.339 32.059 29.700 0.034 0.000 1.278 350 E HN 0.467 nan 8.360 nan 0.000 0.456 351 D N 0.916 121.370 120.400 0.091 0.000 2.487 351 D HA 0.006 4.649 4.640 0.005 0.000 0.243 351 D C 0.671 176.999 176.300 0.046 0.000 1.154 351 D CA 0.412 54.449 54.000 0.061 0.000 0.876 351 D CB 1.389 42.226 40.800 0.062 0.000 1.161 351 D HN 0.577 nan 8.370 nan 0.000 0.478 352 A N 4.025 126.871 122.820 0.043 0.000 2.024 352 A HA -0.060 4.263 4.320 0.005 0.000 0.220 352 A C 1.920 179.532 177.584 0.046 0.000 1.164 352 A CA 1.785 53.850 52.037 0.046 0.000 0.643 352 A CB -0.301 18.731 19.000 0.053 0.000 0.806 352 A HN 0.637 nan 8.150 nan 0.000 0.451 353 A N -1.700 121.143 122.820 0.040 0.000 2.251 353 A HA 0.481 4.804 4.320 0.005 0.000 0.209 353 A C 0.851 178.453 177.584 0.031 0.000 1.187 353 A CA 0.857 52.915 52.037 0.035 0.000 0.823 353 A CB -0.205 18.813 19.000 0.030 0.000 0.846 353 A HN 0.599 nan 8.150 nan 0.000 0.486 354 S N -1.197 114.522 115.700 0.032 0.000 2.562 354 S HA 0.346 4.820 4.470 0.005 0.000 0.274 354 S C -0.252 174.360 174.600 0.020 0.000 1.160 354 S CA -0.495 57.720 58.200 0.025 0.000 0.933 354 S CB 1.154 64.368 63.200 0.025 0.000 1.100 354 S HN 0.358 nan 8.310 nan 0.000 0.468 355 Q N 2.090 121.896 119.800 0.010 0.000 2.360 355 Q HA 0.141 4.484 4.340 0.005 0.000 0.202 355 Q C 1.473 177.456 176.000 -0.028 0.000 0.915 355 Q CA 0.072 55.874 55.803 -0.002 0.000 0.943 355 Q CB 0.222 28.964 28.738 0.005 0.000 1.064 355 Q HN 0.691 nan 8.270 nan 0.000 0.511 356 S N 1.231 116.914 115.700 -0.028 0.000 2.353 356 S HA -0.113 4.360 4.470 0.005 0.000 0.222 356 S C 0.955 175.493 174.600 -0.103 0.000 1.035 356 S CA 1.114 59.281 58.200 -0.055 0.000 1.025 356 S CB -0.013 63.164 63.200 -0.038 0.000 0.902 356 S HN 0.471 nan 8.310 nan 0.000 0.440 357 A N 0.503 123.268 122.820 -0.091 0.000 2.317 357 A HA 0.801 5.124 4.320 0.005 0.000 0.327 357 A C -0.342 177.078 177.584 -0.275 0.000 1.178 357 A CA -0.358 51.554 52.037 -0.208 0.000 0.817 357 A CB 1.025 19.968 19.000 -0.094 0.000 1.189 357 A HN 0.482 nan 8.150 nan 0.000 0.489 358 A N 1.486 123.999 122.820 -0.513 0.000 2.449 358 A HA 0.775 5.098 4.320 0.005 0.000 0.302 358 A C -1.600 175.584 177.584 -0.666 0.000 1.048 358 A CA -0.408 51.401 52.037 -0.379 0.000 0.708 358 A CB 0.934 19.832 19.000 -0.171 0.000 1.274 358 A HN 0.788 nan 8.150 nan 0.000 0.410 359 Y N 0.325 120.616 120.300 -0.015 0.000 2.425 359 Y HA 0.583 5.136 4.550 0.005 0.000 0.344 359 Y C -0.171 175.714 175.900 -0.025 0.000 0.969 359 Y CA -0.864 57.227 58.100 -0.015 0.000 1.052 359 Y CB 2.467 40.943 38.460 0.026 0.000 1.215 359 Y HN 0.418 nan 8.280 nan 0.000 0.451 360 V N 4.227 124.196 119.914 0.091 0.000 2.487 360 V HA 0.661 4.784 4.120 0.005 0.000 0.298 360 V C -0.677 175.438 176.094 0.034 0.000 1.028 360 V CA -0.899 61.431 62.300 0.050 0.000 0.860 360 V CB 1.696 33.538 31.823 0.032 0.000 0.991 360 V HN 0.611 nan 8.190 nan 0.000 0.427 361 V N 3.149 123.077 119.914 0.024 0.000 2.769 361 V HA 0.707 4.830 4.120 0.005 0.000 0.312 361 V C -0.251 175.896 176.094 0.088 0.000 1.061 361 V CA -0.877 61.445 62.300 0.037 0.000 0.931 361 V CB 2.104 33.905 31.823 -0.036 0.000 1.010 361 V HN 0.682 nan 8.190 nan 0.000 0.433 362 M N 4.312 123.994 119.600 0.136 0.000 2.247 362 M HA 0.513 4.997 4.480 0.005 0.000 0.326 362 M C -2.357 174.048 176.300 0.176 0.000 1.134 362 M CA -2.230 53.153 55.300 0.139 0.000 1.136 362 M CB 0.615 33.301 32.600 0.143 0.000 1.454 362 M HN 0.583 nan 8.290 nan 0.000 0.467 363 P HA 0.388 nan 4.420 nan 0.000 0.277 363 P C -1.263 176.087 177.300 0.085 0.000 1.240 363 P CA -0.231 62.943 63.100 0.124 0.000 0.798 363 P CB 0.844 32.590 31.700 0.076 0.000 0.979 364 M N 1.456 121.085 119.600 0.049 0.000 2.465 364 M HA 0.406 4.889 4.480 0.005 0.000 0.316 364 M C 0.262 176.541 176.300 -0.035 0.000 1.121 364 M CA -0.956 54.349 55.300 0.009 0.000 0.934 364 M CB 2.363 34.970 32.600 0.012 0.000 1.692 364 M HN 0.125 nan 8.290 nan 0.000 0.444 365 R N 2.647 123.125 120.500 -0.037 0.000 2.210 365 R HA 0.484 4.827 4.340 0.005 0.000 0.338 365 R C -1.467 174.800 176.300 -0.055 0.000 1.062 365 R CA -0.030 56.042 56.100 -0.047 0.000 0.902 365 R CB -0.015 30.262 30.300 -0.038 0.000 1.050 365 R HN 0.507 nan 8.270 nan 0.000 0.461 366 L N 0.000 121.184 121.223 -0.065 0.000 2.949 366 L HA 0.000 4.343 4.340 0.005 0.000 0.249 366 L CA 0.000 54.808 54.840 -0.053 0.000 0.813 366 L CB 0.000 42.020 42.059 -0.065 0.000 0.961 366 L HN 0.000 nan 8.230 nan 0.000 0.502