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 1h5e_1_A DATA FIRST_RESID 1 DATA SEQUENCE QLTPTFYDNS cPNVSNIVRD TIVNELRSDP RIAASILRLH FHDcFVNGcD DATA SEQUENCE ASILLDNTTS FRTEKDAFGN ANSARGFPVI DRMKAAVESA cPRTVScADL DATA SEQUENCE LTIAAQQSVT LAGGPSWRVP LGRRDSLQAF LDLANANLPA PFFTLPQLKD DATA SEQUENCE SFRNVGLNRS SDLVALSGGH TFGKNQcRFI MDRLYNFSNT GLPDPTLNTT DATA SEQUENCE YLQTLRGLcP LNGNLSALVD FDLRTPTIFD NKYYVNLEEQ KGLIQSDQEL DATA SEQUENCE FSSPNATDTI PLVRSFANST QTFFNAFVEA MDRMGNITPL TGTQGQIRLN DATA SEQUENCE cRVVNS 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.985 176.000 -0.025 0.000 1.003 1 Q CA 0.000 55.795 55.803 -0.014 0.000 1.022 1 Q CB 0.000 28.737 28.738 -0.001 0.000 1.108 2 L N 1.185 122.382 121.223 -0.044 0.000 2.426 2 L HA 0.588 5.573 4.340 1.076 0.000 0.271 2 L C 0.673 177.530 176.870 -0.021 0.000 1.169 2 L CA 0.134 54.932 54.840 -0.071 0.000 0.836 2 L CB 0.889 42.906 42.059 -0.070 0.000 1.112 2 L HN 0.625 nan 8.230 nan 0.000 0.465 3 T N 2.003 116.552 114.554 -0.008 0.000 2.952 3 T HA 0.390 5.385 4.350 1.076 0.000 0.305 3 T C -2.242 172.486 174.700 0.046 0.000 1.064 3 T CA -1.570 60.551 62.100 0.036 0.000 1.008 3 T CB 2.052 70.961 68.868 0.068 0.000 1.078 3 T HN 0.233 nan 8.240 nan 0.000 0.459 4 P HA 0.002 nan 4.420 nan 0.000 0.222 4 P C 1.150 178.484 177.300 0.056 0.000 1.147 4 P CA 0.960 64.089 63.100 0.047 0.000 0.790 4 P CB 0.036 31.764 31.700 0.047 0.000 0.780 5 T N -5.622 108.963 114.554 0.051 0.000 3.188 5 T HA 0.092 5.087 4.350 1.076 0.000 0.250 5 T C 1.321 176.026 174.700 0.009 0.000 1.077 5 T CA -0.366 61.754 62.100 0.033 0.000 0.967 5 T CB -1.289 67.585 68.868 0.011 0.000 1.006 5 T HN -0.120 nan 8.240 nan 0.000 0.552 6 F N 2.080 121.928 119.950 -0.171 0.000 2.147 6 F HA -0.124 5.049 4.527 1.077 0.000 0.301 6 F C 0.953 176.503 175.800 -0.417 0.000 1.084 6 F CA 1.278 59.066 58.000 -0.353 0.000 1.268 6 F CB -0.175 38.482 39.000 -0.572 0.000 1.009 6 F HN 0.280 nan 8.300 nan 0.000 0.486 7 Y N -0.717 119.620 120.300 0.061 0.000 2.555 7 Y HA 0.154 5.349 4.550 1.075 0.000 0.259 7 Y C 1.467 177.342 175.900 -0.041 0.000 1.179 7 Y CA -0.586 57.502 58.100 -0.020 0.000 1.230 7 Y CB -0.699 37.799 38.460 0.063 0.000 1.146 7 Y HN -0.046 nan 8.280 nan 0.000 0.526 8 D N -0.038 120.392 120.400 0.051 0.000 2.309 8 D HA -0.138 5.147 4.640 1.076 0.000 0.212 8 D C 1.328 177.631 176.300 0.005 0.000 0.968 8 D CA 1.113 55.130 54.000 0.028 0.000 0.882 8 D CB 0.177 40.980 40.800 0.005 0.000 0.918 8 D HN 0.354 nan 8.370 nan 0.000 0.503 9 N N -0.858 117.830 118.700 -0.021 0.000 2.545 9 N HA -0.036 5.350 4.740 1.076 0.000 0.190 9 N C 1.716 177.219 175.510 -0.011 0.000 1.043 9 N CA 0.699 53.732 53.050 -0.028 0.000 0.879 9 N CB 0.095 38.547 38.487 -0.059 0.000 1.210 9 N HN 0.097 nan 8.380 nan 0.000 0.437 10 S N -1.097 114.603 115.700 -0.000 0.000 2.461 10 S HA 0.068 5.184 4.470 1.076 0.000 0.228 10 S C 1.164 175.797 174.600 0.055 0.000 1.005 10 S CA 0.022 58.242 58.200 0.032 0.000 0.942 10 S CB -0.008 63.224 63.200 0.053 0.000 0.776 10 S HN 0.293 nan 8.310 nan 0.000 0.514 11 c N 2.582 121.230 118.600 0.080 0.000 2.808 11 c HA 0.400 5.616 4.570 1.076 0.000 0.236 11 c C -2.020 172.091 174.090 0.036 0.000 1.021 11 c CA -1.016 55.327 56.329 0.025 0.000 0.966 11 c CB 0.779 43.254 42.510 -0.059 0.000 1.763 11 c HN 0.332 nan 8.230 nan 0.000 0.687 12 P HA -0.123 nan 4.420 nan 0.000 0.221 12 P C 0.687 177.991 177.300 0.006 0.000 1.145 12 P CA 1.570 64.686 63.100 0.027 0.000 0.795 12 P CB -0.012 31.696 31.700 0.014 0.000 0.775 13 N N -0.643 118.050 118.700 -0.012 0.000 2.336 13 N HA 0.005 5.391 4.740 1.076 0.000 0.189 13 N C 1.686 177.169 175.510 -0.044 0.000 1.113 13 N CA -0.306 52.729 53.050 -0.025 0.000 0.858 13 N CB 0.075 38.546 38.487 -0.025 0.000 0.970 13 N HN -0.061 nan 8.380 nan 0.000 0.471 14 V N 0.540 120.418 119.914 -0.059 0.000 2.282 14 V HA -0.291 4.474 4.120 1.076 0.000 0.249 14 V C 2.336 178.380 176.094 -0.083 0.000 1.057 14 V CA 2.057 64.297 62.300 -0.099 0.000 1.032 14 V CB -0.379 31.336 31.823 -0.181 0.000 0.645 14 V HN 0.273 nan 8.190 nan 0.000 0.447 15 S N -0.138 115.524 115.700 -0.064 0.000 2.382 15 S HA -0.196 4.920 4.470 1.076 0.000 0.228 15 S C 1.829 176.387 174.600 -0.071 0.000 1.027 15 S CA 1.823 59.978 58.200 -0.075 0.000 0.991 15 S CB -0.581 62.577 63.200 -0.071 0.000 0.823 15 S HN 0.785 nan 8.310 nan 0.000 0.469 16 N N 1.211 119.878 118.700 -0.054 0.000 2.188 16 N HA 0.029 5.415 4.740 1.076 0.000 0.184 16 N C 1.772 177.255 175.510 -0.046 0.000 1.018 16 N CA 1.310 54.333 53.050 -0.046 0.000 0.858 16 N CB -0.382 38.084 38.487 -0.034 0.000 0.989 16 N HN 0.471 nan 8.380 nan 0.000 0.426 17 I N 0.614 121.154 120.570 -0.050 0.000 2.252 17 I HA -0.188 4.627 4.170 1.076 0.000 0.245 17 I C 2.126 178.212 176.117 -0.052 0.000 1.102 17 I CA 0.688 61.960 61.300 -0.048 0.000 1.385 17 I CB -0.198 37.770 38.000 -0.053 0.000 1.064 17 I HN -0.110 nan 8.210 nan 0.000 0.414 18 V N 0.935 120.810 119.914 -0.064 0.000 2.343 18 V HA -0.280 4.486 4.120 1.076 0.000 0.247 18 V C 2.654 178.710 176.094 -0.063 0.000 1.051 18 V CA 1.975 64.234 62.300 -0.069 0.000 1.036 18 V CB -0.765 31.005 31.823 -0.088 0.000 0.654 18 V HN 0.422 nan 8.190 nan 0.000 0.451 19 R N 0.122 120.584 120.500 -0.064 0.000 2.083 19 R HA -0.205 4.780 4.340 1.076 0.000 0.237 19 R C 2.067 178.343 176.300 -0.040 0.000 1.137 19 R CA 2.223 58.289 56.100 -0.057 0.000 0.951 19 R CB -0.431 29.835 30.300 -0.057 0.000 0.851 19 R HN 0.476 nan 8.270 nan 0.000 0.434 20 D N -0.358 120.020 120.400 -0.036 0.000 2.123 20 D HA -0.135 5.150 4.640 1.076 0.000 0.196 20 D C 1.783 178.068 176.300 -0.024 0.000 0.992 20 D CA 1.868 55.852 54.000 -0.026 0.000 0.833 20 D CB -0.445 40.341 40.800 -0.024 0.000 0.954 20 D HN 0.295 nan 8.370 nan 0.000 0.455 21 T N 0.854 115.390 114.554 -0.029 0.000 2.708 21 T HA -0.082 4.913 4.350 1.076 0.000 0.266 21 T C 2.203 176.889 174.700 -0.024 0.000 1.037 21 T CA 0.678 62.763 62.100 -0.025 0.000 1.146 21 T CB -0.185 68.666 68.868 -0.029 0.000 0.865 21 T HN 0.181 nan 8.240 nan 0.000 0.435 22 I N 0.780 121.332 120.570 -0.029 0.000 2.315 22 I HA -0.124 4.691 4.170 1.076 0.000 0.248 22 I C 2.455 178.562 176.117 -0.016 0.000 1.117 22 I CA 0.743 62.027 61.300 -0.026 0.000 1.404 22 I CB -0.505 37.476 38.000 -0.032 0.000 1.071 22 I HN 0.085 nan 8.210 nan 0.000 0.419 23 V N 1.324 121.229 119.914 -0.015 0.000 2.287 23 V HA -0.288 4.477 4.120 1.076 0.000 0.248 23 V C 2.245 178.337 176.094 -0.004 0.000 1.053 23 V CA 1.944 64.240 62.300 -0.007 0.000 1.027 23 V CB -0.856 30.962 31.823 -0.008 0.000 0.646 23 V HN 0.463 nan 8.190 nan 0.000 0.447 24 N N 0.059 118.754 118.700 -0.008 0.000 2.043 24 N HA -0.206 5.180 4.740 1.076 0.000 0.193 24 N C 1.973 177.481 175.510 -0.005 0.000 1.037 24 N CA 1.741 54.788 53.050 -0.006 0.000 0.851 24 N CB -0.315 38.167 38.487 -0.008 0.000 1.027 24 N HN 0.527 nan 8.380 nan 0.000 0.422 25 E N 1.287 121.482 120.200 -0.008 0.000 2.110 25 E HA -0.015 4.981 4.350 1.076 0.000 0.193 25 E C 2.086 178.682 176.600 -0.006 0.000 0.988 25 E CA 0.606 57.001 56.400 -0.009 0.000 0.804 25 E CB -0.406 29.285 29.700 -0.015 0.000 0.745 25 E HN 0.304 nan 8.360 nan 0.000 0.458 26 L N 0.097 121.318 121.223 -0.004 0.000 2.187 26 L HA -0.180 4.805 4.340 1.076 0.000 0.213 26 L C 2.522 179.396 176.870 0.007 0.000 1.100 26 L CA 1.147 55.989 54.840 0.003 0.000 0.765 26 L CB -0.275 41.791 42.059 0.011 0.000 0.904 26 L HN 0.126 nan 8.230 nan 0.000 0.437 27 R N -0.514 119.989 120.500 0.006 0.000 2.092 27 R HA -0.123 4.862 4.340 1.076 0.000 0.231 27 R C 2.434 178.738 176.300 0.007 0.000 1.119 27 R CA 1.773 57.877 56.100 0.008 0.000 0.970 27 R CB -0.279 30.025 30.300 0.006 0.000 0.864 27 R HN 0.475 nan 8.270 nan 0.000 0.440 28 S N -0.751 114.951 115.700 0.004 0.000 2.492 28 S HA -0.010 5.105 4.470 1.076 0.000 0.218 28 S C 0.269 174.871 174.600 0.002 0.000 1.016 28 S CA -0.064 58.138 58.200 0.004 0.000 0.916 28 S CB 0.496 63.698 63.200 0.003 0.000 0.791 28 S HN 0.076 nan 8.310 nan 0.000 0.513 29 D N 1.957 122.356 120.400 -0.001 0.000 2.346 29 D HA 0.356 5.641 4.640 1.076 0.000 0.255 29 D C -2.237 174.058 176.300 -0.008 0.000 1.276 29 D CA -2.131 51.865 54.000 -0.006 0.000 0.941 29 D CB 1.876 42.668 40.800 -0.013 0.000 1.199 29 D HN -0.013 nan 8.370 nan 0.000 0.537 30 P HA -0.077 nan 4.420 nan 0.000 0.234 30 P C 1.051 178.344 177.300 -0.012 0.000 1.167 30 P CA 0.314 63.418 63.100 0.007 0.000 0.763 30 P CB 0.409 32.122 31.700 0.021 0.000 0.835 31 R N -0.490 119.988 120.500 -0.036 0.000 2.290 31 R HA 0.089 5.074 4.340 1.076 0.000 0.197 31 R C 2.030 178.255 176.300 -0.125 0.000 0.913 31 R CA -0.127 55.924 56.100 -0.082 0.000 1.040 31 R CB -0.472 29.794 30.300 -0.056 0.000 0.992 31 R HN -0.047 nan 8.270 nan 0.000 0.500 32 I N 1.451 121.970 120.570 -0.085 0.000 2.335 32 I HA -0.221 4.595 4.170 1.076 0.000 0.251 32 I C 1.969 178.020 176.117 -0.109 0.000 1.129 32 I CA 1.487 62.732 61.300 -0.091 0.000 1.402 32 I CB -0.234 37.732 38.000 -0.057 0.000 1.069 32 I HN 0.245 nan 8.210 nan 0.000 0.424 33 A N 0.283 123.044 122.820 -0.098 0.000 1.877 33 A HA -0.101 4.864 4.320 1.076 0.000 0.216 33 A C 2.523 179.992 177.584 -0.191 0.000 1.186 33 A CA 1.902 53.905 52.037 -0.056 0.000 0.620 33 A CB -1.332 17.718 19.000 0.083 0.000 0.822 33 A HN 0.511 nan 8.150 nan 0.000 0.443 34 A N -0.451 122.020 122.820 -0.582 0.000 1.877 34 A HA -0.087 4.879 4.320 1.076 0.000 0.216 34 A C 2.445 179.824 177.584 -0.341 0.000 1.186 34 A CA 2.150 53.627 52.037 -0.933 0.000 0.620 34 A CB -0.969 17.357 19.000 -1.124 0.000 0.822 34 A HN 0.469 nan 8.150 nan 0.000 0.443 35 S N -0.115 115.439 115.700 -0.244 0.000 2.370 35 S HA -0.133 4.983 4.470 1.076 0.000 0.226 35 S C 1.790 176.303 174.600 -0.145 0.000 1.033 35 S CA 1.566 59.663 58.200 -0.170 0.000 1.011 35 S CB -0.497 62.607 63.200 -0.159 0.000 0.852 35 S HN 0.542 nan 8.310 nan 0.000 0.457 36 I N 0.894 121.395 120.570 -0.115 0.000 2.315 36 I HA -0.143 4.673 4.170 1.076 0.000 0.248 36 I C 2.291 178.413 176.117 0.008 0.000 1.117 36 I CA 0.696 61.953 61.300 -0.072 0.000 1.404 36 I CB -0.288 37.676 38.000 -0.059 0.000 1.071 36 I HN 0.241 nan 8.210 nan 0.000 0.419 37 L N 1.042 122.300 121.223 0.057 0.000 2.083 37 L HA -0.194 4.792 4.340 1.076 0.000 0.209 37 L C 2.574 179.553 176.870 0.182 0.000 1.083 37 L CA 1.795 56.741 54.840 0.177 0.000 0.752 37 L CB -0.697 41.546 42.059 0.307 0.000 0.899 37 L HN 0.086 nan 8.230 nan 0.000 0.433 38 R N -0.728 119.818 120.500 0.076 0.000 2.092 38 R HA -0.106 4.880 4.340 1.076 0.000 0.231 38 R C 2.265 178.534 176.300 -0.051 0.000 1.119 38 R CA 1.487 57.602 56.100 0.025 0.000 0.970 38 R CB -0.268 29.972 30.300 -0.101 0.000 0.864 38 R HN 0.461 nan 8.270 nan 0.000 0.440 39 L N -0.592 120.605 121.223 -0.044 0.000 2.083 39 L HA -0.210 4.776 4.340 1.076 0.000 0.209 39 L C 2.526 179.462 176.870 0.109 0.000 1.083 39 L CA 1.539 56.367 54.840 -0.020 0.000 0.752 39 L CB -0.614 41.397 42.059 -0.080 0.000 0.899 39 L HN 0.338 nan 8.230 nan 0.000 0.433 40 H N -0.158 118.946 119.070 0.057 0.000 2.353 40 H HA -0.252 4.950 4.556 1.077 0.000 0.300 40 H C 1.925 177.355 175.328 0.170 0.000 1.090 40 H CA 1.771 57.878 56.048 0.099 0.000 1.327 40 H CB -0.206 29.612 29.762 0.093 0.000 1.383 40 H HN 0.274 nan 8.280 nan 0.000 0.508 41 F N 0.739 120.662 119.950 -0.044 0.000 2.075 41 F HA -0.177 4.990 4.527 1.066 0.000 0.297 41 F C 2.135 177.947 175.800 0.020 0.000 1.113 41 F CA 2.178 60.117 58.000 -0.101 0.000 1.218 41 F CB -1.091 37.841 39.000 -0.113 0.000 0.984 41 F HN 0.352 nan 8.300 nan 0.000 0.472 42 H N -1.416 117.364 119.070 -0.484 0.000 2.521 42 H HA -0.115 5.084 4.556 1.071 0.000 0.286 42 H C 1.567 176.777 175.328 -0.196 0.000 1.034 42 H CA 0.722 56.464 56.048 -0.511 0.000 1.278 42 H CB 0.019 29.595 29.762 -0.310 0.000 1.386 42 H HN 0.362 nan 8.280 nan 0.000 0.567 43 D N 0.243 120.659 120.400 0.027 0.000 2.110 43 D HA -0.103 5.183 4.640 1.076 0.000 0.202 43 D C 2.152 178.451 176.300 -0.002 0.000 0.975 43 D CA 0.753 54.779 54.000 0.044 0.000 0.839 43 D CB -0.438 40.417 40.800 0.092 0.000 0.996 43 D HN 0.215 nan 8.370 nan 0.000 0.464 44 c N -0.104 118.471 118.600 -0.042 0.000 2.422 44 c HA -0.041 5.175 4.570 1.076 0.000 0.279 44 c C 2.260 176.358 174.090 0.015 0.000 1.305 44 c CA 0.125 56.433 56.329 -0.035 0.000 1.757 44 c CB -1.544 40.913 42.510 -0.088 0.000 1.962 44 c HN 0.273 nan 8.230 nan 0.000 0.499 45 F N 0.478 120.299 119.950 -0.216 0.000 2.802 45 F HA 0.156 5.330 4.527 1.078 0.000 0.300 45 F C 0.699 176.374 175.800 -0.209 0.000 1.168 45 F CA 0.635 58.496 58.000 -0.232 0.000 1.433 45 F CB -0.011 38.787 39.000 -0.337 0.000 1.115 45 F HN -0.047 nan 8.300 nan 0.000 0.582 46 V N 0.255 120.132 119.914 -0.062 0.000 2.398 46 V HA 0.225 4.991 4.120 1.076 0.000 0.282 46 V C 0.208 176.176 176.094 -0.210 0.000 1.014 46 V CA -1.015 61.215 62.300 -0.117 0.000 0.838 46 V CB 0.957 32.753 31.823 -0.044 0.000 1.018 46 V HN 0.277 nan 8.190 nan 0.000 0.432 47 N N 3.393 121.889 118.700 -0.340 0.000 2.753 47 N HA -0.157 5.228 4.740 1.076 0.000 0.251 47 N C 0.379 175.742 175.510 -0.245 0.000 1.097 47 N CA 2.032 54.816 53.050 -0.443 0.000 0.786 47 N CB -0.734 37.207 38.487 -0.910 0.000 1.137 47 N HN 1.849 nan 8.380 nan 0.000 0.566 48 G N -2.002 106.691 108.800 -0.178 0.000 2.757 48 G HA2 -0.226 4.379 3.960 1.076 0.000 0.638 48 G HA3 -0.226 4.379 3.960 1.076 0.000 0.638 48 G C -0.012 174.851 174.900 -0.061 0.000 1.344 48 G CA -0.410 44.619 45.100 -0.119 0.000 0.855 48 G HN 0.835 nan 8.290 nan 0.000 0.537 49 c N 1.373 119.954 118.600 -0.033 0.000 2.365 49 c HA 0.474 5.690 4.570 1.076 0.000 0.412 49 c C 0.934 175.047 174.090 0.037 0.000 1.023 49 c CA 0.157 56.497 56.329 0.019 0.000 1.287 49 c CB -1.367 41.182 42.510 0.066 0.000 1.675 49 c HN 0.776 nan 8.230 nan 0.000 0.520 50 D N 0.484 120.909 120.400 0.041 0.000 2.563 50 D HA 0.259 5.544 4.640 1.076 0.000 0.237 50 D C 1.108 177.450 176.300 0.069 0.000 1.282 50 D CA 0.261 54.291 54.000 0.049 0.000 0.816 50 D CB -0.209 40.620 40.800 0.048 0.000 1.066 50 D HN 0.567 nan 8.370 nan 0.000 0.501 51 A N 0.708 123.579 122.820 0.084 0.000 2.861 51 A HA -0.296 4.670 4.320 1.076 0.000 0.261 51 A C 1.894 179.530 177.584 0.086 0.000 1.351 51 A CA 1.457 53.550 52.037 0.093 0.000 0.904 51 A CB -2.593 16.455 19.000 0.079 0.000 1.076 51 A HN 0.766 nan 8.150 nan 0.000 0.729 52 S N -0.579 115.177 115.700 0.094 0.000 2.399 52 S HA -0.093 5.023 4.470 1.076 0.000 0.231 52 S C 1.727 176.366 174.600 0.065 0.000 1.022 52 S CA 1.246 59.494 58.200 0.081 0.000 0.983 52 S CB -0.529 62.799 63.200 0.214 0.000 0.803 52 S HN 1.263 nan 8.310 nan 0.000 0.480 53 I N 0.905 121.538 120.570 0.105 0.000 2.614 53 I HA -0.032 4.783 4.170 1.076 0.000 0.258 53 I C 1.690 177.879 176.117 0.121 0.000 1.189 53 I CA 1.014 62.390 61.300 0.126 0.000 1.462 53 I CB -0.064 38.050 38.000 0.189 0.000 1.092 53 I HN 0.317 nan 8.210 nan 0.000 0.442 54 L N 0.519 121.816 121.223 0.123 0.000 2.478 54 L HA 0.040 5.026 4.340 1.076 0.000 0.223 54 L C 0.799 177.667 176.870 -0.002 0.000 1.140 54 L CA 0.016 54.916 54.840 0.101 0.000 0.842 54 L CB -0.362 41.782 42.059 0.141 0.000 0.953 54 L HN 0.134 nan 8.230 nan 0.000 0.452 55 L N 0.503 121.732 121.223 0.011 0.000 2.416 55 L HA 0.082 5.068 4.340 1.076 0.000 0.272 55 L C 0.094 176.969 176.870 0.009 0.000 1.161 55 L CA -0.037 54.825 54.840 0.038 0.000 0.845 55 L CB 0.382 42.497 42.059 0.092 0.000 1.119 55 L HN 0.039 nan 8.230 nan 0.000 0.464 56 D N 1.279 121.681 120.400 0.004 0.000 2.432 56 D HA 0.162 5.447 4.640 1.076 0.000 0.258 56 D C 0.057 176.348 176.300 -0.015 0.000 1.146 56 D CA -0.483 53.490 54.000 -0.045 0.000 1.015 56 D CB 0.619 41.376 40.800 -0.073 0.000 1.107 56 D HN 0.360 nan 8.370 nan 0.000 0.529 57 N N -0.116 118.544 118.700 -0.067 0.000 2.395 57 N HA 0.066 5.451 4.740 1.076 0.000 0.246 57 N C -0.081 175.281 175.510 -0.247 0.000 1.246 57 N CA 0.570 53.548 53.050 -0.120 0.000 0.879 57 N CB 0.462 38.889 38.487 -0.100 0.000 1.098 57 N HN 0.416 nan 8.380 nan 0.000 0.444 58 T N -3.541 110.758 114.554 -0.424 0.000 2.841 58 T HA 0.297 5.292 4.350 1.076 0.000 0.296 58 T C 1.071 175.547 174.700 -0.374 0.000 1.166 58 T CA -0.558 61.246 62.100 -0.493 0.000 1.007 58 T CB 0.927 69.260 68.868 -0.890 0.000 1.253 58 T HN 0.419 nan 8.240 nan 0.000 0.511 59 T N -1.250 113.141 114.554 -0.271 0.000 3.072 59 T HA 0.011 5.006 4.350 1.076 0.000 0.266 59 T C 1.832 176.434 174.700 -0.164 0.000 1.127 59 T CA 1.146 63.140 62.100 -0.176 0.000 1.107 59 T CB -0.618 68.177 68.868 -0.120 0.000 0.910 59 T HN 0.788 nan 8.240 nan 0.000 0.513 60 S N 0.712 116.267 115.700 -0.242 0.000 2.475 60 S HA 0.349 5.465 4.470 1.076 0.000 0.224 60 S C 0.256 174.835 174.600 -0.035 0.000 1.042 60 S CA -0.773 57.350 58.200 -0.128 0.000 0.935 60 S CB -0.441 62.707 63.200 -0.087 0.000 0.801 60 S HN 0.693 nan 8.310 nan 0.000 0.509 61 F N 0.351 120.254 119.950 -0.079 0.000 2.601 61 F HA 0.833 6.004 4.527 1.074 0.000 0.309 61 F C -0.592 175.151 175.800 -0.094 0.000 1.089 61 F CA -1.656 56.285 58.000 -0.099 0.000 0.940 61 F CB 0.916 39.824 39.000 -0.153 0.000 1.273 61 F HN -0.296 nan 8.300 nan 0.000 0.450 62 R N 0.967 121.588 120.500 0.203 0.000 2.531 62 R HA 0.376 5.361 4.340 1.076 0.000 0.273 62 R C -0.101 176.296 176.300 0.162 0.000 1.070 62 R CA -0.611 55.553 56.100 0.105 0.000 1.112 62 R CB 1.298 31.618 30.300 0.034 0.000 1.049 62 R HN 0.932 nan 8.270 nan 0.000 0.508 63 T N 0.111 114.710 114.554 0.075 0.000 2.897 63 T HA 0.067 5.063 4.350 1.076 0.000 0.294 63 T C 0.968 175.667 174.700 -0.002 0.000 1.004 63 T CA -0.248 61.879 62.100 0.046 0.000 1.106 63 T CB 0.486 69.343 68.868 -0.019 0.000 0.949 63 T HN 0.466 nan 8.240 nan 0.000 0.520 64 E N 2.107 122.305 120.200 -0.004 0.000 2.418 64 E HA -0.049 4.947 4.350 1.076 0.000 0.197 64 E C 1.780 178.379 176.600 -0.002 0.000 1.026 64 E CA 0.581 56.983 56.400 0.002 0.000 0.862 64 E CB 0.167 29.887 29.700 0.033 0.000 0.799 64 E HN 0.638 nan 8.360 nan 0.000 0.518 65 K N 0.640 121.021 120.400 -0.033 0.000 2.362 65 K HA -0.093 4.872 4.320 1.076 0.000 0.200 65 K C 0.679 177.271 176.600 -0.013 0.000 1.046 65 K CA 0.704 56.973 56.287 -0.029 0.000 0.952 65 K CB 0.205 32.602 32.500 -0.171 0.000 0.753 65 K HN 0.035 nan 8.250 nan 0.000 0.466 66 D N 0.478 120.849 120.400 -0.048 0.000 2.368 66 D HA 0.100 5.386 4.640 1.076 0.000 0.218 66 D C -0.056 176.142 176.300 -0.169 0.000 1.112 66 D CA 0.076 54.026 54.000 -0.083 0.000 0.834 66 D CB 0.339 41.086 40.800 -0.088 0.000 0.953 66 D HN 0.123 nan 8.370 nan 0.000 0.505 67 A N -0.249 122.496 122.820 -0.125 0.000 2.366 67 A HA 0.233 5.198 4.320 1.076 0.000 0.249 67 A C 0.790 178.283 177.584 -0.151 0.000 1.084 67 A CA -0.333 51.590 52.037 -0.189 0.000 0.794 67 A CB 0.170 19.130 19.000 -0.067 0.000 1.034 67 A HN -0.008 nan 8.150 nan 0.000 0.491 68 F N 1.230 121.225 119.950 0.075 0.000 2.202 68 F HA -0.046 5.156 4.527 1.124 0.000 0.301 68 F C 2.391 178.259 175.800 0.113 0.000 1.082 68 F CA 1.907 59.974 58.000 0.111 0.000 1.313 68 F CB -0.560 38.517 39.000 0.129 0.000 1.024 68 F HN 0.619 nan 8.300 nan 0.000 0.495 69 G N -1.258 107.656 108.800 0.190 0.000 2.880 69 G HA2 -0.091 4.515 3.960 1.076 0.000 0.209 69 G HA3 -0.091 4.515 3.960 1.076 0.000 0.209 69 G C 1.469 176.482 174.900 0.188 0.000 1.157 69 G CA 0.314 45.476 45.100 0.104 0.000 0.779 69 G HN 0.235 nan 8.290 nan 0.000 0.539 70 N N 0.437 119.236 118.700 0.164 0.000 2.564 70 N HA 0.138 5.523 4.740 1.076 0.000 0.202 70 N C 1.231 176.858 175.510 0.196 0.000 1.052 70 N CA 0.306 53.487 53.050 0.218 0.000 0.872 70 N CB 0.089 38.692 38.487 0.194 0.000 1.303 70 N HN 0.176 nan 8.380 nan 0.000 0.440 71 A N 1.845 124.748 122.820 0.139 0.000 2.567 71 A HA 0.050 5.015 4.320 1.076 0.000 0.240 71 A C 0.781 178.460 177.584 0.158 0.000 1.053 71 A CA 0.230 52.338 52.037 0.120 0.000 0.755 71 A CB -0.501 18.538 19.000 0.066 0.000 0.978 71 A HN 0.494 nan 8.150 nan 0.000 0.507 72 N N 0.402 119.185 118.700 0.138 0.000 2.721 72 N HA -0.190 5.195 4.740 1.076 0.000 0.249 72 N C 0.351 175.958 175.510 0.162 0.000 1.072 72 N CA 1.699 54.827 53.050 0.131 0.000 0.710 72 N CB -1.017 37.535 38.487 0.107 0.000 0.993 72 N HN 0.790 nan 8.380 nan 0.000 0.547 73 S N -2.221 113.589 115.700 0.183 0.000 4.193 73 S HA 0.526 5.641 4.470 1.076 0.000 0.211 73 S C 0.011 174.694 174.600 0.139 0.000 1.162 73 S CA 0.456 58.772 58.200 0.192 0.000 1.039 73 S CB -0.442 62.913 63.200 0.259 0.000 1.371 73 S HN 0.680 nan 8.310 nan 0.000 0.550 74 A N 3.300 126.218 122.820 0.163 0.000 2.511 74 A HA 0.571 5.537 4.320 1.076 0.000 0.242 74 A C 0.326 177.927 177.584 0.028 0.000 1.069 74 A CA 0.079 52.169 52.037 0.088 0.000 0.763 74 A CB -0.165 18.981 19.000 0.243 0.000 1.001 74 A HN 0.723 nan 8.150 nan 0.000 0.498 75 R N 0.590 120.955 120.500 -0.224 0.000 2.766 75 R HA 0.732 5.718 4.340 1.076 0.000 0.270 75 R C 0.413 176.436 176.300 -0.462 0.000 1.035 75 R CA -0.407 55.544 56.100 -0.248 0.000 0.911 75 R CB 0.637 30.894 30.300 -0.071 0.000 1.243 75 R HN 1.986 nan 8.270 nan 0.000 0.460 76 G N -0.236 108.387 108.800 -0.295 0.000 2.176 76 G HA2 -0.254 4.351 3.960 1.076 0.000 0.232 76 G HA3 -0.254 4.351 3.960 1.076 0.000 0.232 76 G C 0.178 174.951 174.900 -0.212 0.000 0.986 76 G CA 0.214 45.171 45.100 -0.239 0.000 0.643 76 G HN 0.455 nan 8.290 nan 0.000 0.522 77 F N 1.309 121.267 119.950 0.013 0.000 2.161 77 F HA 0.057 5.225 4.527 1.069 0.000 0.300 77 F C 0.606 176.411 175.800 0.009 0.000 1.089 77 F CA 1.860 59.869 58.000 0.015 0.000 1.282 77 F CB -1.415 37.596 39.000 0.020 0.000 1.010 77 F HN 0.251 nan 8.300 nan 0.000 0.485 78 P HA -0.089 nan 4.420 nan 0.000 0.219 78 P C 1.883 179.214 177.300 0.052 0.000 1.150 78 P CA 1.072 64.230 63.100 0.096 0.000 0.814 78 P CB 0.039 31.783 31.700 0.074 0.000 0.787 79 V N -0.163 119.766 119.914 0.026 0.000 2.427 79 V HA -0.193 4.573 4.120 1.076 0.000 0.248 79 V C 2.255 178.351 176.094 0.004 0.000 1.051 79 V CA 1.412 63.712 62.300 0.001 0.000 1.048 79 V CB -1.009 30.799 31.823 -0.025 0.000 0.666 79 V HN 0.055 nan 8.190 nan 0.000 0.456 80 I N 0.202 120.783 120.570 0.018 0.000 2.252 80 I HA -0.165 4.650 4.170 1.076 0.000 0.245 80 I C 2.287 178.425 176.117 0.035 0.000 1.102 80 I CA 1.469 62.785 61.300 0.026 0.000 1.385 80 I CB -1.259 36.776 38.000 0.060 0.000 1.064 80 I HN 0.339 nan 8.210 nan 0.000 0.414 81 D N 0.500 120.932 120.400 0.054 0.000 2.144 81 D HA -0.202 5.084 4.640 1.076 0.000 0.199 81 D C 2.279 178.591 176.300 0.020 0.000 0.984 81 D CA 1.001 55.026 54.000 0.042 0.000 0.834 81 D CB -0.170 40.659 40.800 0.050 0.000 0.955 81 D HN 0.306 nan 8.370 nan 0.000 0.465 82 R N 0.545 121.054 120.500 0.016 0.000 2.066 82 R HA -0.104 4.881 4.340 1.076 0.000 0.232 82 R C 2.571 178.868 176.300 -0.006 0.000 1.131 82 R CA 1.473 57.575 56.100 0.004 0.000 0.955 82 R CB -0.148 30.153 30.300 0.002 0.000 0.851 82 R HN 0.226 nan 8.270 nan 0.000 0.432 83 M N -0.272 119.321 119.600 -0.011 0.000 2.229 83 M HA -0.036 5.090 4.480 1.076 0.000 0.264 83 M C 1.982 178.266 176.300 -0.027 0.000 1.063 83 M CA 1.690 56.975 55.300 -0.024 0.000 1.114 83 M CB -0.259 32.322 32.600 -0.033 0.000 1.387 83 M HN -0.144 nan 8.290 nan 0.000 0.420 84 K N 1.562 121.952 120.400 -0.016 0.000 2.057 84 K HA 0.025 4.990 4.320 1.076 0.000 0.207 84 K C 2.025 178.615 176.600 -0.018 0.000 1.049 84 K CA 2.020 58.297 56.287 -0.017 0.000 0.931 84 K CB -0.704 31.797 32.500 0.001 0.000 0.714 84 K HN 0.431 nan 8.250 nan 0.000 0.440 85 A N 0.574 123.389 122.820 -0.010 0.000 1.902 85 A HA -0.016 4.950 4.320 1.076 0.000 0.217 85 A C 2.400 179.974 177.584 -0.016 0.000 1.181 85 A CA 2.007 54.039 52.037 -0.009 0.000 0.623 85 A CB -1.106 17.891 19.000 -0.004 0.000 0.818 85 A HN 0.442 nan 8.150 nan 0.000 0.443 86 A N -0.629 122.179 122.820 -0.020 0.000 1.902 86 A HA 0.005 4.970 4.320 1.076 0.000 0.217 86 A C 2.204 179.768 177.584 -0.034 0.000 1.181 86 A CA 1.814 53.837 52.037 -0.024 0.000 0.623 86 A CB -0.832 18.153 19.000 -0.026 0.000 0.818 86 A HN 0.397 nan 8.150 nan 0.000 0.443 87 V N 0.039 119.927 119.914 -0.044 0.000 2.453 87 V HA -0.149 4.616 4.120 1.076 0.000 0.247 87 V C 2.457 178.519 176.094 -0.053 0.000 1.048 87 V CA 1.833 64.096 62.300 -0.062 0.000 1.049 87 V CB -0.629 31.140 31.823 -0.089 0.000 0.672 87 V HN 0.474 nan 8.190 nan 0.000 0.457 88 E N -0.080 120.097 120.200 -0.038 0.000 2.204 88 E HA -0.157 4.838 4.350 1.076 0.000 0.194 88 E C 2.475 179.062 176.600 -0.021 0.000 0.989 88 E CA 1.417 57.802 56.400 -0.026 0.000 0.824 88 E CB -0.263 29.427 29.700 -0.015 0.000 0.756 88 E HN 0.544 nan 8.360 nan 0.000 0.477 89 S N 0.008 115.696 115.700 -0.021 0.000 2.371 89 S HA -0.029 5.086 4.470 1.076 0.000 0.224 89 S C 1.966 176.555 174.600 -0.019 0.000 1.029 89 S CA 1.066 59.256 58.200 -0.016 0.000 0.978 89 S CB 0.074 63.265 63.200 -0.015 0.000 0.833 89 S HN 0.280 nan 8.310 nan 0.000 0.466 90 A N -0.472 122.332 122.820 -0.026 0.000 1.970 90 A HA 0.180 5.145 4.320 1.076 0.000 0.216 90 A C 1.039 178.607 177.584 -0.027 0.000 1.170 90 A CA 0.863 52.884 52.037 -0.027 0.000 0.645 90 A CB -0.330 18.649 19.000 -0.034 0.000 0.816 90 A HN 0.606 nan 8.150 nan 0.000 0.447 91 c N -0.008 118.572 118.600 -0.033 0.000 3.287 91 c HA 0.403 5.619 4.570 1.076 0.000 0.260 91 c C -2.915 171.162 174.090 -0.022 0.000 1.133 91 c CA -1.600 54.711 56.329 -0.029 0.000 1.402 91 c CB 0.261 42.742 42.510 -0.047 0.000 1.832 91 c HN 0.235 nan 8.230 nan 0.000 0.509 92 P HA 0.070 nan 4.420 nan 0.000 0.262 92 P C 0.370 177.674 177.300 0.008 0.000 1.182 92 P CA 0.773 63.872 63.100 -0.002 0.000 0.761 92 P CB 0.271 31.972 31.700 0.000 0.000 0.795 93 R N 0.621 121.128 120.500 0.012 0.000 3.387 93 R HA -0.195 4.791 4.340 1.076 0.000 0.254 93 R C 0.465 176.795 176.300 0.050 0.000 1.006 93 R CA 0.994 57.111 56.100 0.028 0.000 0.677 93 R CB -2.578 27.740 30.300 0.030 0.000 1.063 93 R HN 0.537 nan 8.270 nan 0.000 0.453 94 T N -1.580 112.999 114.554 0.041 0.000 3.114 94 T HA 0.125 5.120 4.350 1.076 0.000 0.240 94 T C 0.678 175.457 174.700 0.132 0.000 0.983 94 T CA 0.377 62.532 62.100 0.093 0.000 1.151 94 T CB 0.605 69.505 68.868 0.054 0.000 0.974 94 T HN 0.038 nan 8.240 nan 0.000 0.442 95 V N 4.372 124.243 119.914 -0.071 0.000 2.406 95 V HA 0.421 5.186 4.120 1.076 0.000 0.272 95 V C 0.524 176.611 176.094 -0.013 0.000 1.043 95 V CA -1.060 61.116 62.300 -0.207 0.000 0.915 95 V CB 0.806 32.349 31.823 -0.466 0.000 0.988 95 V HN 0.581 nan 8.190 nan 0.000 0.466 96 S N 3.467 119.232 115.700 0.108 0.000 2.584 96 S HA 0.050 5.165 4.470 1.076 0.000 0.270 96 S C 1.218 175.843 174.600 0.042 0.000 1.346 96 S CA -0.412 57.838 58.200 0.082 0.000 1.018 96 S CB 0.827 64.086 63.200 0.099 0.000 0.899 96 S HN 0.724 nan 8.310 nan 0.000 0.542 97 c N 1.431 120.056 118.600 0.041 0.000 2.435 97 c HA 0.059 5.275 4.570 1.076 0.000 0.279 97 c C 3.121 177.241 174.090 0.050 0.000 1.321 97 c CA 0.815 57.168 56.329 0.039 0.000 1.752 97 c CB -2.093 40.447 42.510 0.051 0.000 1.959 97 c HN 1.009 nan 8.230 nan 0.000 0.500 98 A N 0.888 123.744 122.820 0.059 0.000 1.877 98 A HA -0.214 4.751 4.320 1.076 0.000 0.216 98 A C 1.820 179.442 177.584 0.064 0.000 1.186 98 A CA 2.222 54.302 52.037 0.072 0.000 0.620 98 A CB -0.590 18.445 19.000 0.058 0.000 0.822 98 A HN 0.503 nan 8.150 nan 0.000 0.443 99 D N -0.650 119.783 120.400 0.055 0.000 2.117 99 D HA -0.093 5.192 4.640 1.076 0.000 0.198 99 D C 1.866 178.169 176.300 0.006 0.000 0.982 99 D CA 1.065 55.101 54.000 0.059 0.000 0.828 99 D CB -0.383 40.528 40.800 0.184 0.000 0.967 99 D HN 0.308 nan 8.370 nan 0.000 0.464 100 L N 0.534 121.750 121.223 -0.011 0.000 2.012 100 L HA -0.154 4.831 4.340 1.076 0.000 0.210 100 L C 2.087 178.922 176.870 -0.059 0.000 1.073 100 L CA 1.335 56.144 54.840 -0.051 0.000 0.748 100 L CB -0.541 41.493 42.059 -0.042 0.000 0.891 100 L HN 0.037 nan 8.230 nan 0.000 0.431 101 L N -1.286 119.922 121.223 -0.024 0.000 2.141 101 L HA -0.136 4.849 4.340 1.076 0.000 0.209 101 L C 2.260 179.029 176.870 -0.168 0.000 1.094 101 L CA 2.213 57.037 54.840 -0.027 0.000 0.763 101 L CB -0.963 41.142 42.059 0.077 0.000 0.908 101 L HN 0.324 nan 8.230 nan 0.000 0.437 102 T N -0.198 114.220 114.554 -0.226 0.000 2.737 102 T HA -0.105 4.890 4.350 1.076 0.000 0.265 102 T C 1.972 176.429 174.700 -0.404 0.000 1.038 102 T CA 1.919 63.695 62.100 -0.541 0.000 1.144 102 T CB -0.249 68.484 68.868 -0.225 0.000 0.866 102 T HN 0.313 nan 8.240 nan 0.000 0.434 103 I N 1.445 121.870 120.570 -0.241 0.000 2.226 103 I HA -0.155 4.660 4.170 1.076 0.000 0.245 103 I C 2.954 178.930 176.117 -0.233 0.000 1.100 103 I CA 1.020 62.181 61.300 -0.233 0.000 1.374 103 I CB -0.523 37.386 38.000 -0.150 0.000 1.057 103 I HN 0.185 nan 8.210 nan 0.000 0.413 104 A N 0.918 123.629 122.820 -0.182 0.000 1.908 104 A HA -0.193 4.772 4.320 1.076 0.000 0.218 104 A C 2.556 180.053 177.584 -0.145 0.000 1.181 104 A CA 1.991 53.944 52.037 -0.139 0.000 0.627 104 A CB -0.799 18.144 19.000 -0.095 0.000 0.818 104 A HN 0.442 nan 8.150 nan 0.000 0.445 105 A N -1.028 121.679 122.820 -0.189 0.000 1.877 105 A HA -0.208 4.757 4.320 1.076 0.000 0.216 105 A C 2.232 179.729 177.584 -0.144 0.000 1.186 105 A CA 1.812 53.776 52.037 -0.121 0.000 0.620 105 A CB -0.551 18.350 19.000 -0.165 0.000 0.822 105 A HN 0.565 nan 8.150 nan 0.000 0.443 106 Q N -0.669 118.940 119.800 -0.319 0.000 2.050 106 Q HA -0.219 4.767 4.340 1.076 0.000 0.202 106 Q C 2.038 177.784 176.000 -0.423 0.000 0.980 106 Q CA 1.837 57.299 55.803 -0.569 0.000 0.840 106 Q CB -0.346 27.774 28.738 -1.030 0.000 0.898 106 Q HN 0.655 nan 8.270 nan 0.000 0.424 107 Q N 0.044 119.658 119.800 -0.311 0.000 2.124 107 Q HA -0.064 4.921 4.340 1.076 0.000 0.202 107 Q C 2.227 178.149 176.000 -0.130 0.000 0.977 107 Q CA 1.391 57.068 55.803 -0.209 0.000 0.850 107 Q CB -0.233 28.408 28.738 -0.162 0.000 0.901 107 Q HN 0.305 nan 8.270 nan 0.000 0.429 108 S N 0.370 116.015 115.700 -0.093 0.000 2.368 108 S HA -0.093 5.022 4.470 1.076 0.000 0.225 108 S C 2.197 176.806 174.600 0.015 0.000 1.030 108 S CA 1.063 59.261 58.200 -0.004 0.000 0.999 108 S CB -0.186 63.037 63.200 0.039 0.000 0.844 108 S HN 0.142 nan 8.310 nan 0.000 0.459 109 V N 1.727 121.586 119.914 -0.091 0.000 2.343 109 V HA -0.185 4.581 4.120 1.076 0.000 0.247 109 V C 2.512 178.406 176.094 -0.334 0.000 1.051 109 V CA 2.126 64.213 62.300 -0.356 0.000 1.036 109 V CB -1.289 30.258 31.823 -0.460 0.000 0.654 109 V HN 0.514 nan 8.190 nan 0.000 0.451 110 T N 0.292 114.721 114.554 -0.209 0.000 2.746 110 T HA -0.109 4.887 4.350 1.076 0.000 0.267 110 T C 1.890 176.550 174.700 -0.066 0.000 1.039 110 T CA 1.384 63.400 62.100 -0.139 0.000 1.142 110 T CB -0.300 68.495 68.868 -0.122 0.000 0.866 110 T HN 0.287 nan 8.240 nan 0.000 0.444 111 L N 0.711 121.909 121.223 -0.042 0.000 2.191 111 L HA -0.026 4.959 4.340 1.076 0.000 0.212 111 L C 2.624 179.526 176.870 0.053 0.000 1.103 111 L CA 0.873 55.717 54.840 0.006 0.000 0.769 111 L CB -0.451 41.614 42.059 0.009 0.000 0.908 111 L HN 0.234 nan 8.230 nan 0.000 0.438 112 A N -0.762 122.105 122.820 0.078 0.000 2.259 112 A HA 0.334 5.299 4.320 1.076 0.000 0.208 112 A C 1.635 179.297 177.584 0.130 0.000 1.201 112 A CA 0.711 52.843 52.037 0.159 0.000 0.824 112 A CB -0.337 18.849 19.000 0.309 0.000 0.838 112 A HN 0.515 nan 8.150 nan 0.000 0.485 113 G N -2.208 106.640 108.800 0.080 0.000 2.176 113 G HA2 -0.026 4.579 3.960 1.076 0.000 0.232 113 G HA3 -0.026 4.579 3.960 1.076 0.000 0.232 113 G C 0.733 175.720 174.900 0.146 0.000 0.986 113 G CA 0.187 45.360 45.100 0.122 0.000 0.643 113 G HN 1.272 nan 8.290 nan 0.000 0.522 114 G N 0.226 108.987 108.800 -0.064 0.000 2.535 114 G HA2 0.712 5.318 3.960 1.076 0.000 0.282 114 G HA3 0.712 5.318 3.960 1.076 0.000 0.282 114 G C -1.601 173.000 174.900 -0.498 0.000 1.350 114 G CA -0.417 44.410 45.100 -0.455 0.000 1.039 114 G HN 0.288 nan 8.290 nan 0.000 0.509 115 P HA 0.177 nan 4.420 nan 0.000 0.272 115 P C -0.572 176.769 177.300 0.067 0.000 1.230 115 P CA 0.003 62.926 63.100 -0.293 0.000 0.788 115 P CB 1.409 32.862 31.700 -0.410 0.000 0.949 116 S N 1.408 117.208 115.700 0.167 0.000 2.473 116 S HA 0.750 5.865 4.470 1.076 0.000 0.307 116 S C -1.454 173.343 174.600 0.329 0.000 1.094 116 S CA -0.591 57.714 58.200 0.175 0.000 1.070 116 S CB 0.058 63.292 63.200 0.057 0.000 1.019 116 S HN 0.625 nan 8.310 nan 0.000 0.480 117 W N 3.480 124.731 121.300 -0.081 0.000 3.059 117 W HA 0.607 5.911 4.660 1.073 0.000 0.329 117 W C -1.804 174.684 176.519 -0.052 0.000 1.246 117 W CA -1.085 56.224 57.345 -0.060 0.000 1.190 117 W CB 0.584 30.003 29.460 -0.068 0.000 1.423 117 W HN 0.486 nan 8.180 nan 0.000 0.571 118 R N 2.670 123.170 120.500 -0.001 0.000 2.207 118 R HA 0.458 5.443 4.340 1.076 0.000 0.334 118 R C 0.089 176.347 176.300 -0.070 0.000 1.013 118 R CA -0.810 55.219 56.100 -0.119 0.000 0.858 118 R CB 1.434 31.729 30.300 -0.009 0.000 1.094 118 R HN 0.533 nan 8.270 nan 0.000 0.457 119 V N 1.397 121.168 119.914 -0.237 0.000 2.775 119 V HA 0.351 5.116 4.120 1.076 0.000 0.299 119 V C -2.240 173.862 176.094 0.013 0.000 1.062 119 V CA -2.290 59.973 62.300 -0.061 0.000 1.063 119 V CB 0.648 32.377 31.823 -0.156 0.000 0.994 119 V HN 0.541 nan 8.190 nan 0.000 0.483 120 P HA 0.426 nan 4.420 nan 0.000 0.268 120 P C -0.689 176.602 177.300 -0.015 0.000 1.205 120 P CA 0.136 63.251 63.100 0.025 0.000 0.771 120 P CB 0.525 32.243 31.700 0.031 0.000 0.858 121 L N 1.115 122.304 121.223 -0.057 0.000 2.303 121 L HA 0.770 5.756 4.340 1.076 0.000 0.256 121 L C 1.089 177.660 176.870 -0.498 0.000 1.034 121 L CA -0.546 54.200 54.840 -0.158 0.000 0.832 121 L CB 1.934 43.974 42.059 -0.032 0.000 1.403 121 L HN 0.622 nan 8.230 nan 0.000 0.419 122 G N 0.150 108.419 108.800 -0.885 0.000 2.234 122 G HA2 -0.131 4.475 3.960 1.076 0.000 0.153 122 G HA3 -0.131 4.475 3.960 1.076 0.000 0.153 122 G C 0.042 174.541 174.900 -0.668 0.000 1.013 122 G CA -0.686 43.502 45.100 -1.519 0.000 0.712 122 G HN 0.441 nan 8.290 nan 0.000 0.491 123 R N 0.289 120.582 120.500 -0.345 0.000 2.641 123 R HA 0.674 5.659 4.340 1.076 0.000 0.269 123 R C 0.538 176.783 176.300 -0.093 0.000 1.074 123 R CA 0.116 56.123 56.100 -0.154 0.000 1.133 123 R CB 0.613 30.877 30.300 -0.059 0.000 1.029 123 R HN 0.255 nan 8.270 nan 0.000 0.488 124 R N 0.353 120.827 120.500 -0.043 0.000 2.892 124 R HA 0.264 5.250 4.340 1.076 0.000 0.265 124 R C -0.990 175.323 176.300 0.021 0.000 1.025 124 R CA -0.997 55.104 56.100 0.003 0.000 0.982 124 R CB 1.340 31.644 30.300 0.007 0.000 1.185 124 R HN 0.519 nan 8.270 nan 0.000 0.484 125 D N 0.962 121.384 120.400 0.036 0.000 2.256 125 D HA 0.077 5.363 4.640 1.076 0.000 0.250 125 D C 0.103 176.426 176.300 0.038 0.000 1.093 125 D CA -0.023 54.002 54.000 0.041 0.000 0.882 125 D CB 1.501 42.328 40.800 0.045 0.000 1.185 125 D HN 0.486 nan 8.370 nan 0.000 0.437 126 S N 1.117 116.844 115.700 0.045 0.000 2.576 126 S HA 0.095 5.211 4.470 1.076 0.000 0.272 126 S C 1.016 175.616 174.600 -0.001 0.000 1.352 126 S CA -0.419 57.809 58.200 0.046 0.000 1.021 126 S CB 0.610 63.868 63.200 0.096 0.000 0.887 126 S HN 0.453 nan 8.310 nan 0.000 0.542 127 L N 1.073 122.283 121.223 -0.023 0.000 2.640 127 L HA 0.282 5.267 4.340 1.076 0.000 0.230 127 L C 0.823 177.597 176.870 -0.160 0.000 1.123 127 L CA -0.149 54.668 54.840 -0.038 0.000 0.900 127 L CB -0.714 41.343 42.059 -0.002 0.000 1.146 127 L HN 0.850 nan 8.230 nan 0.000 0.484 128 Q N -1.143 118.411 119.800 -0.410 0.000 2.756 128 Q HA 0.708 5.693 4.340 1.076 0.000 0.295 128 Q C -1.688 173.538 176.000 -1.290 0.000 0.903 128 Q CA -0.915 54.236 55.803 -1.087 0.000 0.768 128 Q CB 2.001 30.154 28.738 -0.975 0.000 1.472 128 Q HN -0.087 nan 8.270 nan 0.000 0.416 129 A N 0.675 122.441 122.820 -1.757 0.000 2.311 129 A HA 0.831 5.797 4.320 1.076 0.000 0.334 129 A C -1.358 175.596 177.584 -1.050 0.000 1.139 129 A CA -0.678 50.769 52.037 -0.984 0.000 0.830 129 A CB 0.645 19.367 19.000 -0.464 0.000 1.234 129 A HN 0.520 nan 8.150 nan 0.000 0.483 130 F N 2.167 122.011 119.950 -0.177 0.000 2.564 130 F HA 0.269 5.440 4.527 1.072 0.000 0.361 130 F C 0.833 176.598 175.800 -0.059 0.000 1.161 130 F CA -0.492 57.444 58.000 -0.107 0.000 1.198 130 F CB 1.087 40.030 39.000 -0.095 0.000 1.424 130 F HN 0.503 nan 8.300 nan 0.000 0.517 131 L N 1.130 122.388 121.223 0.059 0.000 2.017 131 L HA -0.129 4.856 4.340 1.076 0.000 0.208 131 L C 1.860 178.761 176.870 0.053 0.000 1.073 131 L CA 2.128 56.990 54.840 0.036 0.000 0.745 131 L CB -0.368 41.694 42.059 0.005 0.000 0.894 131 L HN 0.354 nan 8.230 nan 0.000 0.432 132 D N -0.566 119.879 120.400 0.075 0.000 2.117 132 D HA -0.193 5.092 4.640 1.076 0.000 0.197 132 D C 2.208 178.564 176.300 0.093 0.000 0.987 132 D CA 1.439 55.490 54.000 0.086 0.000 0.829 132 D CB -0.142 40.710 40.800 0.087 0.000 0.961 132 D HN 0.311 nan 8.370 nan 0.000 0.460 133 L N 0.951 122.236 121.223 0.104 0.000 2.093 133 L HA -0.047 4.939 4.340 1.076 0.000 0.208 133 L C 2.159 179.056 176.870 0.044 0.000 1.085 133 L CA 1.402 56.280 54.840 0.062 0.000 0.755 133 L CB -0.631 41.445 42.059 0.028 0.000 0.904 133 L HN -0.063 nan 8.230 nan 0.000 0.435 134 A N -0.632 122.219 122.820 0.051 0.000 1.898 134 A HA -0.191 4.775 4.320 1.076 0.000 0.216 134 A C 2.066 179.666 177.584 0.027 0.000 1.181 134 A CA 1.705 53.744 52.037 0.004 0.000 0.620 134 A CB -0.679 18.316 19.000 -0.007 0.000 0.819 134 A HN 0.559 nan 8.150 nan 0.000 0.442 135 N N 0.307 119.058 118.700 0.084 0.000 2.244 135 N HA -0.062 5.324 4.740 1.076 0.000 0.183 135 N C 1.750 177.377 175.510 0.195 0.000 1.016 135 N CA 1.437 54.604 53.050 0.196 0.000 0.866 135 N CB -0.394 38.255 38.487 0.271 0.000 0.980 135 N HN 0.494 nan 8.380 nan 0.000 0.430 136 A N 0.668 123.572 122.820 0.140 0.000 1.935 136 A HA 0.039 5.005 4.320 1.076 0.000 0.214 136 A C 1.891 179.558 177.584 0.138 0.000 1.178 136 A CA 0.925 53.044 52.037 0.138 0.000 0.640 136 A CB -0.110 18.950 19.000 0.099 0.000 0.825 136 A HN 0.165 nan 8.150 nan 0.000 0.447 137 N N -0.264 118.491 118.700 0.093 0.000 2.395 137 N HA 0.143 5.529 4.740 1.076 0.000 0.175 137 N C 0.163 175.759 175.510 0.142 0.000 1.029 137 N CA 0.218 53.332 53.050 0.106 0.000 0.897 137 N CB -0.211 38.297 38.487 0.036 0.000 0.991 137 N HN 0.382 nan 8.380 nan 0.000 0.441 138 L N 3.291 124.518 121.223 0.006 0.000 2.360 138 L HA 0.233 5.218 4.340 1.076 0.000 0.276 138 L C -1.840 174.955 176.870 -0.125 0.000 1.121 138 L CA -1.476 53.267 54.840 -0.162 0.000 0.845 138 L CB 0.404 42.215 42.059 -0.414 0.000 1.143 138 L HN -0.027 nan 8.230 nan 0.000 0.452 139 P HA 0.224 nan 4.420 nan 0.000 0.274 139 P C -1.018 175.788 177.300 -0.823 0.000 1.237 139 P CA -0.427 62.393 63.100 -0.466 0.000 0.793 139 P CB 1.383 33.077 31.700 -0.011 0.000 0.977 140 A N 2.703 124.482 122.820 -1.735 0.000 2.356 140 A HA 0.582 5.547 4.320 1.076 0.000 0.323 140 A C -1.672 175.345 177.584 -0.946 0.000 1.119 140 A CA -1.723 49.546 52.037 -1.280 0.000 0.790 140 A CB 0.753 18.708 19.000 -1.742 0.000 1.273 140 A HN 0.358 nan 8.150 nan 0.000 0.452 141 P HA -0.128 nan 4.420 nan 0.000 0.222 141 P C 0.704 178.025 177.300 0.036 0.000 1.147 141 P CA 1.273 64.281 63.100 -0.153 0.000 0.790 141 P CB -0.144 31.519 31.700 -0.061 0.000 0.780 142 F N -3.592 116.461 119.950 0.172 0.000 2.732 142 F HA 0.376 4.996 4.527 0.155 0.000 0.303 142 F C 0.594 176.622 175.800 0.380 0.000 1.110 142 F CA -1.544 56.616 58.000 0.267 0.000 1.355 142 F CB -1.241 37.895 39.000 0.226 0.000 1.081 142 F HN -0.364 nan 8.300 nan 0.000 0.565 143 F N 2.643 122.582 119.950 -0.018 0.000 2.506 143 F HA 0.266 5.446 4.527 1.088 0.000 0.351 143 F C 1.380 177.258 175.800 0.130 0.000 1.136 143 F CA -1.356 56.682 58.000 0.064 0.000 1.298 143 F CB 0.569 39.566 39.000 -0.004 0.000 1.145 143 F HN 0.085 nan 8.300 nan 0.000 0.593 144 T N 0.813 115.513 114.554 0.244 0.000 2.788 144 T HA 0.244 5.240 4.350 1.076 0.000 0.280 144 T C 1.127 175.916 174.700 0.150 0.000 0.984 144 T CA -0.772 61.433 62.100 0.174 0.000 0.972 144 T CB 0.817 69.744 68.868 0.099 0.000 1.039 144 T HN 0.465 nan 8.240 nan 0.000 0.530 145 L N 1.356 122.647 121.223 0.115 0.000 2.046 145 L HA 0.168 5.153 4.340 1.076 0.000 0.208 145 L C -0.900 176.009 176.870 0.065 0.000 1.077 145 L CA 1.559 56.451 54.840 0.087 0.000 0.747 145 L CB -1.677 40.419 42.059 0.060 0.000 0.896 145 L HN 0.525 nan 8.230 nan 0.000 0.432 146 P HA -0.175 nan 4.420 nan 0.000 0.217 146 P C 1.475 178.787 177.300 0.020 0.000 1.150 146 P CA 1.452 64.568 63.100 0.026 0.000 0.832 146 P CB -0.014 31.692 31.700 0.011 0.000 0.787 147 Q N -0.996 118.799 119.800 -0.009 0.000 2.119 147 Q HA -0.077 4.908 4.340 1.076 0.000 0.201 147 Q C 2.137 178.202 176.000 0.110 0.000 0.972 147 Q CA 1.041 56.774 55.803 -0.115 0.000 0.847 147 Q CB -0.582 27.889 28.738 -0.445 0.000 0.903 147 Q HN 0.290 nan 8.270 nan 0.000 0.433 148 L N 0.550 121.916 121.223 0.239 0.000 2.027 148 L HA -0.205 4.780 4.340 1.076 0.000 0.206 148 L C 2.275 179.288 176.870 0.238 0.000 1.074 148 L CA 1.288 56.323 54.840 0.325 0.000 0.745 148 L CB -0.315 41.847 42.059 0.172 0.000 0.898 148 L HN 0.127 nan 8.230 nan 0.000 0.433 149 K N -0.171 120.301 120.400 0.119 0.000 2.057 149 K HA -0.182 4.783 4.320 1.076 0.000 0.207 149 K C 1.741 178.446 176.600 0.176 0.000 1.049 149 K CA 1.539 57.888 56.287 0.103 0.000 0.931 149 K CB -0.194 32.337 32.500 0.053 0.000 0.714 149 K HN 0.239 nan 8.250 nan 0.000 0.440 150 D N 0.359 120.845 120.400 0.143 0.000 2.117 150 D HA -0.144 5.141 4.640 1.076 0.000 0.197 150 D C 2.116 178.535 176.300 0.199 0.000 0.987 150 D CA 1.715 55.790 54.000 0.124 0.000 0.829 150 D CB -0.305 40.527 40.800 0.054 0.000 0.961 150 D HN 0.198 nan 8.370 nan 0.000 0.460 151 S N -0.161 115.733 115.700 0.323 0.000 2.368 151 S HA -0.167 4.949 4.470 1.076 0.000 0.225 151 S C 2.069 176.929 174.600 0.433 0.000 1.030 151 S CA 0.687 59.144 58.200 0.429 0.000 0.999 151 S CB -0.736 62.854 63.200 0.651 0.000 0.844 151 S HN 0.084 nan 8.310 nan 0.000 0.459 152 F N 2.344 122.450 119.950 0.260 0.000 2.163 152 F HA 0.217 5.384 4.527 1.066 0.000 0.297 152 F C 2.762 178.568 175.800 0.010 0.000 1.094 152 F CA 0.780 58.895 58.000 0.191 0.000 1.290 152 F CB -0.513 38.632 39.000 0.241 0.000 1.017 152 F HN 0.112 nan 8.300 nan 0.000 0.483 153 R N -0.167 120.466 120.500 0.222 0.000 2.096 153 R HA -0.205 4.781 4.340 1.076 0.000 0.235 153 R C 1.900 178.206 176.300 0.010 0.000 1.127 153 R CA 1.467 57.622 56.100 0.093 0.000 0.968 153 R CB -0.752 29.601 30.300 0.087 0.000 0.861 153 R HN 0.240 nan 8.270 nan 0.000 0.440 154 N N 0.743 119.451 118.700 0.013 0.000 2.205 154 N HA -0.141 5.244 4.740 1.076 0.000 0.186 154 N C 1.491 176.924 175.510 -0.129 0.000 1.015 154 N CA 1.538 54.567 53.050 -0.036 0.000 0.862 154 N CB 0.146 38.636 38.487 0.005 0.000 0.986 154 N HN 0.178 nan 8.380 nan 0.000 0.429 155 V N -4.612 115.150 119.914 -0.252 0.000 3.647 155 V HA 0.549 5.314 4.120 1.076 0.000 0.279 155 V C 1.255 177.173 176.094 -0.294 0.000 1.314 155 V CA 0.552 62.624 62.300 -0.381 0.000 1.125 155 V CB -0.107 31.236 31.823 -0.800 0.000 0.907 155 V HN 0.319 nan 8.190 nan 0.000 0.434 156 G N 0.618 109.307 108.800 -0.186 0.000 2.192 156 G HA2 -0.154 4.452 3.960 1.076 0.000 0.193 156 G HA3 -0.154 4.452 3.960 1.076 0.000 0.193 156 G C -0.133 174.728 174.900 -0.064 0.000 0.999 156 G CA -0.072 44.959 45.100 -0.115 0.000 0.659 156 G HN 0.478 nan 8.290 nan 0.000 0.503 157 L N 1.773 122.969 121.223 -0.045 0.000 2.314 157 L HA 0.407 5.392 4.340 1.076 0.000 0.275 157 L C 1.004 177.956 176.870 0.137 0.000 1.068 157 L CA -0.891 53.992 54.840 0.072 0.000 0.894 157 L CB 0.836 42.991 42.059 0.160 0.000 1.275 157 L HN -0.034 nan 8.230 nan 0.000 0.432 158 N N 1.734 120.485 118.700 0.085 0.000 2.354 158 N HA 0.005 5.390 4.740 1.076 0.000 0.179 158 N C 0.470 176.030 175.510 0.083 0.000 1.021 158 N CA 0.584 53.681 53.050 0.078 0.000 0.887 158 N CB 0.220 38.733 38.487 0.044 0.000 0.974 158 N HN 0.477 nan 8.380 nan 0.000 0.437 159 R N 0.364 120.918 120.500 0.090 0.000 2.438 159 R HA 0.230 5.215 4.340 1.076 0.000 0.287 159 R C 1.063 177.410 176.300 0.079 0.000 1.077 159 R CA -0.120 56.026 56.100 0.077 0.000 1.034 159 R CB 0.670 31.015 30.300 0.075 0.000 0.993 159 R HN -0.039 nan 8.270 nan 0.000 0.459 160 S N 0.850 116.578 115.700 0.047 0.000 2.419 160 S HA -0.161 4.955 4.470 1.076 0.000 0.233 160 S C 1.840 176.469 174.600 0.049 0.000 1.016 160 S CA 1.381 59.594 58.200 0.022 0.000 0.974 160 S CB -0.035 63.166 63.200 0.001 0.000 0.786 160 S HN 0.694 nan 8.310 nan 0.000 0.492 161 S N 1.318 117.069 115.700 0.085 0.000 2.402 161 S HA -0.138 4.977 4.470 1.076 0.000 0.229 161 S C 1.466 176.192 174.600 0.209 0.000 1.021 161 S CA 1.107 59.405 58.200 0.164 0.000 0.974 161 S CB -0.387 62.915 63.200 0.170 0.000 0.800 161 S HN 0.416 nan 8.310 nan 0.000 0.484 162 D N 1.237 121.739 120.400 0.169 0.000 2.092 162 D HA -0.103 5.182 4.640 1.076 0.000 0.193 162 D C 1.941 178.385 176.300 0.240 0.000 0.994 162 D CA 1.143 55.278 54.000 0.224 0.000 0.828 162 D CB -0.611 40.362 40.800 0.289 0.000 0.963 162 D HN 0.380 nan 8.370 nan 0.000 0.450 163 L N 0.850 122.094 121.223 0.035 0.000 2.017 163 L HA -0.146 4.839 4.340 1.076 0.000 0.208 163 L C 2.265 179.090 176.870 -0.074 0.000 1.073 163 L CA 1.428 56.043 54.840 -0.376 0.000 0.745 163 L CB -0.517 41.216 42.059 -0.544 0.000 0.894 163 L HN -0.124 nan 8.230 nan 0.000 0.432 164 V N 0.027 120.003 119.914 0.104 0.000 2.358 164 V HA -0.207 4.558 4.120 1.076 0.000 0.246 164 V C 2.774 179.207 176.094 0.564 0.000 1.047 164 V CA 1.507 63.983 62.300 0.294 0.000 1.035 164 V CB -1.393 30.558 31.823 0.213 0.000 0.658 164 V HN 0.598 nan 8.190 nan 0.000 0.452 165 A N -0.134 123.045 122.820 0.597 0.000 1.873 165 A HA -0.094 4.871 4.320 1.076 0.000 0.215 165 A C 2.192 180.129 177.584 0.588 0.000 1.186 165 A CA 1.563 53.983 52.037 0.638 0.000 0.616 165 A CB -0.526 18.702 19.000 0.381 0.000 0.823 165 A HN 0.485 nan 8.150 nan 0.000 0.442 166 L N -0.281 121.149 121.223 0.345 0.000 2.201 166 L HA -0.111 4.874 4.340 1.076 0.000 0.212 166 L C 2.560 179.463 176.870 0.056 0.000 1.105 166 L CA 1.125 56.108 54.840 0.238 0.000 0.775 166 L CB -0.305 41.859 42.059 0.175 0.000 0.913 166 L HN 0.281 nan 8.230 nan 0.000 0.440 167 S N 0.128 115.810 115.700 -0.030 0.000 2.469 167 S HA -0.092 5.023 4.470 1.076 0.000 0.238 167 S C 1.952 176.110 174.600 -0.737 0.000 0.998 167 S CA 0.940 58.922 58.200 -0.363 0.000 0.957 167 S CB -0.331 62.794 63.200 -0.126 0.000 0.764 167 S HN 0.618 nan 8.310 nan 0.000 0.514 168 G N 1.080 109.677 108.800 -0.337 0.000 2.586 168 G HA2 -0.002 4.603 3.960 1.076 0.000 0.215 168 G HA3 -0.002 4.603 3.960 1.076 0.000 0.215 168 G C 1.256 175.811 174.900 -0.574 0.000 1.128 168 G CA 0.593 45.323 45.100 -0.618 0.000 0.774 168 G HN 0.550 nan 8.290 nan 0.000 0.543 169 G N -0.429 108.190 108.800 -0.301 0.000 2.498 169 G HA2 -0.135 4.470 3.960 1.076 0.000 0.219 169 G HA3 -0.135 4.470 3.960 1.076 0.000 0.219 169 G C 1.105 175.938 174.900 -0.112 0.000 1.119 169 G CA 0.284 45.353 45.100 -0.053 0.000 0.766 169 G HN 0.683 nan 8.290 nan 0.000 0.552 170 H N -0.528 118.178 119.070 -0.607 0.000 2.592 170 H HA 0.133 5.331 4.556 1.071 0.000 0.291 170 H C 1.983 177.140 175.328 -0.285 0.000 1.052 170 H CA 0.206 55.875 56.048 -0.631 0.000 1.175 170 H CB 0.481 29.774 29.762 -0.782 0.000 1.378 170 H HN 0.247 nan 8.280 nan 0.000 0.576 171 T N 0.696 115.095 114.554 -0.258 0.000 3.113 171 T HA -0.013 4.982 4.350 1.076 0.000 0.256 171 T C -0.179 174.560 174.700 0.065 0.000 1.131 171 T CA 0.154 62.129 62.100 -0.208 0.000 1.074 171 T CB -0.071 68.430 68.868 -0.612 0.000 0.944 171 T HN 0.341 nan 8.240 nan 0.000 0.516 172 F N -1.663 118.277 119.950 -0.016 0.000 2.831 172 F HA 0.709 5.880 4.527 1.075 0.000 0.318 172 F C 0.007 175.879 175.800 0.120 0.000 1.174 172 F CA -1.748 56.297 58.000 0.076 0.000 0.918 172 F CB 0.765 39.818 39.000 0.088 0.000 1.364 172 F HN 0.132 nan 8.300 nan 0.000 0.475 173 G N 1.343 110.205 108.800 0.103 0.000 2.710 173 G HA2 0.218 4.823 3.960 1.076 0.000 0.668 173 G HA3 0.218 4.823 3.960 1.076 0.000 0.668 173 G C -1.705 173.341 174.900 0.242 0.000 1.320 173 G CA -0.749 44.363 45.100 0.020 0.000 0.860 173 G HN 0.781 nan 8.290 nan 0.000 0.538 174 K N 0.020 120.544 120.400 0.207 0.000 2.281 174 K HA 0.692 5.657 4.320 1.076 0.000 0.242 174 K C -0.240 176.447 176.600 0.144 0.000 0.971 174 K CA -1.005 55.369 56.287 0.145 0.000 0.834 174 K CB 2.090 34.629 32.500 0.065 0.000 1.181 174 K HN 0.799 nan 8.250 nan 0.000 0.435 175 N N 0.622 119.260 118.700 -0.103 0.000 2.310 175 N HA 0.104 5.490 4.740 1.076 0.000 0.292 175 N C -1.379 174.118 175.510 -0.022 0.000 1.049 175 N CA -0.379 52.585 53.050 -0.144 0.000 0.849 175 N CB 1.449 39.476 38.487 -0.766 0.000 1.532 175 N HN 0.300 nan 8.380 nan 0.000 0.479 176 Q N 1.765 121.645 119.800 0.133 0.000 2.340 176 Q HA 0.182 5.167 4.340 1.076 0.000 0.249 176 Q C 0.663 176.628 176.000 -0.058 0.000 0.957 176 Q CA -0.507 55.297 55.803 0.002 0.000 0.882 176 Q CB 1.021 29.701 28.738 -0.096 0.000 1.235 176 Q HN 0.743 nan 8.270 nan 0.000 0.439 177 c N 1.657 120.209 118.600 -0.080 0.000 2.403 177 c HA -0.209 5.006 4.570 1.076 0.000 0.277 177 c C 2.462 176.501 174.090 -0.084 0.000 1.248 177 c CA 1.287 57.577 56.329 -0.064 0.000 1.762 177 c CB -1.188 41.297 42.510 -0.042 0.000 2.014 177 c HN 0.962 nan 8.230 nan 0.000 0.486 178 R N 0.371 120.746 120.500 -0.209 0.000 2.133 178 R HA -0.194 4.792 4.340 1.076 0.000 0.247 178 R C 1.565 177.748 176.300 -0.195 0.000 1.151 178 R CA 2.166 58.099 56.100 -0.278 0.000 0.971 178 R CB -1.009 28.991 30.300 -0.499 0.000 0.866 178 R HN 0.410 nan 8.270 nan 0.000 0.447 179 F N 1.502 121.493 119.950 0.067 0.000 2.748 179 F HA 0.182 5.272 4.527 0.939 0.000 0.299 179 F C 1.859 177.713 175.800 0.090 0.000 1.154 179 F CA 0.092 58.152 58.000 0.099 0.000 1.446 179 F CB 0.002 39.053 39.000 0.085 0.000 1.112 179 F HN 0.160 nan 8.300 nan 0.000 0.584 180 I N -5.168 115.504 120.570 0.171 0.000 4.338 180 I HA 0.105 4.921 4.170 1.076 0.000 0.329 180 I C 1.571 177.729 176.117 0.068 0.000 1.378 180 I CA 0.015 61.375 61.300 0.100 0.000 1.170 180 I CB -0.073 37.924 38.000 -0.006 0.000 1.206 180 I HN -0.200 nan 8.210 nan 0.000 0.432 181 M N 2.710 122.371 119.600 0.102 0.000 2.144 181 M HA -0.179 4.946 4.480 1.076 0.000 0.260 181 M C 1.968 178.376 176.300 0.180 0.000 1.067 181 M CA 2.109 57.504 55.300 0.158 0.000 1.095 181 M CB -1.143 31.551 32.600 0.155 0.000 1.365 181 M HN 0.580 nan 8.290 nan 0.000 0.406 182 D N -0.049 120.462 120.400 0.185 0.000 2.117 182 D HA -0.188 5.097 4.640 1.076 0.000 0.198 182 D C 1.917 178.379 176.300 0.270 0.000 0.982 182 D CA 1.248 55.386 54.000 0.231 0.000 0.828 182 D CB -0.734 40.210 40.800 0.241 0.000 0.967 182 D HN 0.376 nan 8.370 nan 0.000 0.464 183 R N 0.104 120.730 120.500 0.210 0.000 2.120 183 R HA 0.025 5.011 4.340 1.076 0.000 0.234 183 R C 2.634 178.849 176.300 -0.141 0.000 1.123 183 R CA 0.875 56.967 56.100 -0.013 0.000 0.975 183 R CB -0.289 29.939 30.300 -0.120 0.000 0.866 183 R HN 0.309 nan 8.270 nan 0.000 0.446 184 L N -1.411 119.675 121.223 -0.230 0.000 2.209 184 L HA -0.055 4.931 4.340 1.076 0.000 0.207 184 L C 1.304 177.725 176.870 -0.748 0.000 1.094 184 L CA 1.136 55.625 54.840 -0.585 0.000 0.790 184 L CB -0.069 41.450 42.059 -0.900 0.000 0.932 184 L HN 0.169 nan 8.230 nan 0.000 0.447 185 Y N -2.389 117.933 120.300 0.037 0.000 2.572 185 Y HA 0.241 5.433 4.550 1.070 0.000 0.274 185 Y C 0.560 176.494 175.900 0.058 0.000 1.135 185 Y CA -0.750 57.372 58.100 0.036 0.000 1.230 185 Y CB 0.492 38.964 38.460 0.019 0.000 1.293 185 Y HN 0.044 nan 8.280 nan 0.000 0.501 186 N N 0.184 119.014 118.700 0.217 0.000 2.827 186 N HA 0.102 5.487 4.740 1.076 0.000 0.240 186 N C -2.027 173.596 175.510 0.190 0.000 1.352 186 N CA -0.299 52.853 53.050 0.169 0.000 0.760 186 N CB -0.024 38.539 38.487 0.125 0.000 1.426 186 N HN -0.000 nan 8.380 nan 0.000 0.561 187 F N 3.155 123.127 119.950 0.037 0.000 2.420 187 F HA 0.390 5.558 4.527 1.067 0.000 0.352 187 F C 1.288 177.109 175.800 0.034 0.000 1.108 187 F CA 0.023 58.045 58.000 0.036 0.000 1.162 187 F CB 1.037 40.055 39.000 0.030 0.000 1.118 187 F HN 0.531 nan 8.300 nan 0.000 0.510 188 S N 5.673 121.032 115.700 -0.568 0.000 3.549 188 S HA -0.301 4.815 4.470 1.076 0.000 0.366 188 S C 0.437 174.942 174.600 -0.159 0.000 1.012 188 S CA 0.956 58.904 58.200 -0.419 0.000 1.141 188 S CB -1.752 61.154 63.200 -0.490 0.000 0.910 188 S HN 1.001 nan 8.310 nan 0.000 0.471 189 N N -1.153 117.492 118.700 -0.092 0.000 2.708 189 N HA -0.211 5.175 4.740 1.076 0.000 0.249 189 N C 0.725 176.232 175.510 -0.005 0.000 1.097 189 N CA 1.562 54.590 53.050 -0.036 0.000 0.710 189 N CB -2.089 36.370 38.487 -0.046 0.000 1.032 189 N HN 0.985 nan 8.380 nan 0.000 0.551 190 T N -4.554 110.014 114.554 0.023 0.000 3.057 190 T HA 0.337 5.332 4.350 1.076 0.000 0.254 190 T C 1.511 176.245 174.700 0.056 0.000 1.094 190 T CA 1.140 63.268 62.100 0.046 0.000 1.088 190 T CB 0.560 69.477 68.868 0.081 0.000 0.934 190 T HN 0.625 nan 8.240 nan 0.000 0.497 191 G N 1.182 110.022 108.800 0.066 0.000 2.162 191 G HA2 -0.199 4.407 3.960 1.076 0.000 0.260 191 G HA3 -0.199 4.407 3.960 1.076 0.000 0.260 191 G C -0.130 174.821 174.900 0.086 0.000 0.976 191 G CA 0.522 45.664 45.100 0.070 0.000 0.655 191 G HN 0.644 nan 8.290 nan 0.000 0.533 192 L N 0.636 121.919 121.223 0.099 0.000 2.309 192 L HA 0.607 5.593 4.340 1.076 0.000 0.261 192 L C -1.950 174.983 176.870 0.104 0.000 1.021 192 L CA -2.686 52.207 54.840 0.090 0.000 0.823 192 L CB 2.464 44.567 42.059 0.073 0.000 1.366 192 L HN -0.125 nan 8.230 nan 0.000 0.423 193 P HA -0.006 nan 4.420 nan 0.000 0.274 193 P C -1.138 176.139 177.300 -0.039 0.000 1.246 193 P CA -0.294 62.794 63.100 -0.020 0.000 0.795 193 P CB 0.635 32.278 31.700 -0.094 0.000 1.006 194 D N 1.853 122.120 120.400 -0.221 0.000 2.382 194 D HA 0.008 5.293 4.640 1.076 0.000 0.259 194 D C -1.046 175.106 176.300 -0.246 0.000 1.224 194 D CA -1.908 51.784 54.000 -0.513 0.000 0.894 194 D CB 0.288 40.470 40.800 -1.031 0.000 1.127 194 D HN 0.190 nan 8.370 nan 0.000 0.487 195 P HA -0.126 nan 4.420 nan 0.000 0.225 195 P C 0.844 178.107 177.300 -0.061 0.000 1.148 195 P CA 0.950 64.016 63.100 -0.057 0.000 0.779 195 P CB -0.081 31.617 31.700 -0.003 0.000 0.780 196 T N -3.551 110.943 114.554 -0.100 0.000 3.169 196 T HA 0.166 5.162 4.350 1.076 0.000 0.250 196 T C 0.547 175.215 174.700 -0.053 0.000 1.111 196 T CA -0.378 61.689 62.100 -0.054 0.000 1.010 196 T CB -0.546 68.298 68.868 -0.040 0.000 0.984 196 T HN -0.087 nan 8.240 nan 0.000 0.537 197 L N 3.114 124.284 121.223 -0.087 0.000 2.272 197 L HA 0.433 5.418 4.340 1.076 0.000 0.289 197 L C -0.032 176.830 176.870 -0.014 0.000 1.032 197 L CA -1.004 53.804 54.840 -0.053 0.000 0.810 197 L CB 0.802 42.792 42.059 -0.115 0.000 1.205 197 L HN 0.170 nan 8.230 nan 0.000 0.422 198 N N 2.464 121.185 118.700 0.035 0.000 2.292 198 N HA -0.142 5.243 4.740 1.076 0.000 0.258 198 N C 0.922 176.455 175.510 0.038 0.000 1.261 198 N CA 0.958 54.030 53.050 0.037 0.000 0.845 198 N CB 1.042 39.556 38.487 0.044 0.000 1.064 198 N HN 0.889 nan 8.380 nan 0.000 0.471 199 T N 0.587 115.149 114.554 0.013 0.000 2.881 199 T HA -0.111 4.884 4.350 1.076 0.000 0.270 199 T C 1.664 176.373 174.700 0.016 0.000 1.068 199 T CA 1.607 63.708 62.100 0.002 0.000 1.131 199 T CB -0.277 68.589 68.868 -0.003 0.000 0.871 199 T HN 0.514 nan 8.240 nan 0.000 0.479 200 T N 0.580 115.157 114.554 0.037 0.000 2.812 200 T HA 0.013 5.009 4.350 1.076 0.000 0.264 200 T C 1.439 176.200 174.700 0.102 0.000 1.042 200 T CA 0.937 63.066 62.100 0.048 0.000 1.140 200 T CB -0.509 68.380 68.868 0.035 0.000 0.870 200 T HN 0.433 nan 8.240 nan 0.000 0.445 201 Y N 1.800 122.070 120.300 -0.050 0.000 2.293 201 Y HA 0.053 5.249 4.550 1.076 0.000 0.291 201 Y C 2.019 177.879 175.900 -0.066 0.000 1.137 201 Y CA -0.033 58.033 58.100 -0.057 0.000 1.202 201 Y CB -0.703 37.718 38.460 -0.065 0.000 0.990 201 Y HN 0.103 nan 8.280 nan 0.000 0.537 202 L N 0.355 121.552 121.223 -0.044 0.000 2.042 202 L HA -0.243 4.742 4.340 1.076 0.000 0.210 202 L C 2.070 178.850 176.870 -0.149 0.000 1.076 202 L CA 1.961 56.705 54.840 -0.159 0.000 0.749 202 L CB -0.906 41.086 42.059 -0.113 0.000 0.893 202 L HN 0.105 nan 8.230 nan 0.000 0.432 203 Q N -0.579 119.180 119.800 -0.068 0.000 2.050 203 Q HA -0.146 4.840 4.340 1.076 0.000 0.202 203 Q C 2.248 178.220 176.000 -0.046 0.000 0.980 203 Q CA 2.372 58.150 55.803 -0.041 0.000 0.840 203 Q CB -1.022 27.712 28.738 -0.006 0.000 0.898 203 Q HN 0.554 nan 8.270 nan 0.000 0.424 204 T N 0.971 115.503 114.554 -0.036 0.000 2.652 204 T HA -0.110 4.886 4.350 1.076 0.000 0.267 204 T C 1.823 176.456 174.700 -0.111 0.000 1.039 204 T CA 1.163 63.245 62.100 -0.029 0.000 1.153 204 T CB -0.339 68.571 68.868 0.070 0.000 0.863 204 T HN 0.170 nan 8.240 nan 0.000 0.428 205 L N 0.229 121.296 121.223 -0.260 0.000 2.083 205 L HA -0.061 4.925 4.340 1.076 0.000 0.209 205 L C 2.868 179.639 176.870 -0.164 0.000 1.083 205 L CA 1.276 55.941 54.840 -0.292 0.000 0.752 205 L CB -0.473 41.301 42.059 -0.476 0.000 0.899 205 L HN 0.155 nan 8.230 nan 0.000 0.433 206 R N -0.163 120.253 120.500 -0.140 0.000 2.120 206 R HA -0.097 4.889 4.340 1.076 0.000 0.234 206 R C 2.331 178.660 176.300 0.047 0.000 1.123 206 R CA 1.133 57.216 56.100 -0.028 0.000 0.975 206 R CB -0.495 29.793 30.300 -0.020 0.000 0.866 206 R HN 0.424 nan 8.270 nan 0.000 0.446 207 G N 0.365 109.166 108.800 0.001 0.000 2.448 207 G HA2 -0.157 4.448 3.960 1.076 0.000 0.218 207 G HA3 -0.157 4.448 3.960 1.076 0.000 0.218 207 G C 1.333 176.236 174.900 0.005 0.000 1.135 207 G CA 0.220 45.326 45.100 0.012 0.000 0.784 207 G HN 0.141 nan 8.290 nan 0.000 0.543 208 L N -0.392 120.823 121.223 -0.014 0.000 2.307 208 L HA 0.175 5.161 4.340 1.076 0.000 0.211 208 L C 0.519 177.385 176.870 -0.007 0.000 1.099 208 L CA 0.156 54.985 54.840 -0.017 0.000 0.816 208 L CB 0.301 42.335 42.059 -0.041 0.000 0.952 208 L HN 0.111 nan 8.230 nan 0.000 0.455 209 c N 1.044 119.651 118.600 0.012 0.000 3.335 209 c HA 0.343 5.558 4.570 1.076 0.000 0.217 209 c C -2.086 172.094 174.090 0.150 0.000 1.330 209 c CA -1.574 54.785 56.329 0.050 0.000 1.470 209 c CB -0.274 42.255 42.510 0.030 0.000 1.806 209 c HN 0.105 nan 8.230 nan 0.000 0.468 210 P HA 0.084 nan 4.420 nan 0.000 0.272 210 P C -0.133 177.124 177.300 -0.072 0.000 1.230 210 P CA 0.085 63.227 63.100 0.070 0.000 0.788 210 P CB 1.112 32.817 31.700 0.009 0.000 0.949 211 L N 2.978 123.974 121.223 -0.380 0.000 2.490 211 L HA -0.033 4.952 4.340 1.076 0.000 0.274 211 L C 1.078 177.810 176.870 -0.230 0.000 1.201 211 L CA 0.590 55.116 54.840 -0.524 0.000 0.869 211 L CB -0.530 41.076 42.059 -0.756 0.000 1.123 211 L HN 0.570 nan 8.230 nan 0.000 0.484 212 N N 1.450 120.054 118.700 -0.160 0.000 2.800 212 N HA -0.147 5.238 4.740 1.076 0.000 0.250 212 N C 0.210 175.681 175.510 -0.067 0.000 1.078 212 N CA 0.904 53.896 53.050 -0.096 0.000 0.804 212 N CB -1.244 37.187 38.487 -0.094 0.000 1.135 212 N HN 0.841 nan 8.380 nan 0.000 0.565 213 G N 0.379 109.144 108.800 -0.058 0.000 2.531 213 G HA2 0.234 4.840 3.960 1.076 0.000 0.281 213 G HA3 0.234 4.840 3.960 1.076 0.000 0.281 213 G C 0.069 174.951 174.900 -0.029 0.000 1.382 213 G CA -0.371 44.708 45.100 -0.036 0.000 1.045 213 G HN 0.327 nan 8.290 nan 0.000 0.533 214 N N 0.132 118.818 118.700 -0.023 0.000 2.406 214 N HA 0.054 5.440 4.740 1.076 0.000 0.265 214 N C 1.396 176.886 175.510 -0.033 0.000 1.203 214 N CA -0.433 52.603 53.050 -0.025 0.000 0.945 214 N CB 0.236 38.711 38.487 -0.019 0.000 1.165 214 N HN 0.323 nan 8.380 nan 0.000 0.485 215 L N 2.314 123.510 121.223 -0.044 0.000 2.362 215 L HA -0.079 4.907 4.340 1.076 0.000 0.219 215 L C 1.727 178.541 176.870 -0.094 0.000 1.134 215 L CA 0.610 55.407 54.840 -0.071 0.000 0.807 215 L CB -0.104 41.905 42.059 -0.084 0.000 0.927 215 L HN 0.533 nan 8.230 nan 0.000 0.447 216 S N -0.213 115.450 115.700 -0.063 0.000 2.575 216 S HA 0.235 5.350 4.470 1.076 0.000 0.215 216 S C 1.066 175.647 174.600 -0.032 0.000 0.966 216 S CA -0.072 58.097 58.200 -0.051 0.000 0.911 216 S CB -0.019 63.166 63.200 -0.026 0.000 0.780 216 S HN 0.362 nan 8.310 nan 0.000 0.514 217 A N 1.726 124.527 122.820 -0.032 0.000 2.531 217 A HA 0.383 5.349 4.320 1.076 0.000 0.236 217 A C 0.008 177.578 177.584 -0.023 0.000 1.062 217 A CA 0.147 52.172 52.037 -0.021 0.000 0.760 217 A CB -0.034 18.953 19.000 -0.020 0.000 0.995 217 A HN 0.467 nan 8.150 nan 0.000 0.501 218 L N 2.496 123.711 121.223 -0.013 0.000 2.322 218 L HA 0.634 5.620 4.340 1.076 0.000 0.279 218 L C -0.027 176.827 176.870 -0.027 0.000 1.036 218 L CA -0.620 54.211 54.840 -0.014 0.000 0.807 218 L CB 1.421 43.484 42.059 0.005 0.000 1.226 218 L HN 0.522 nan 8.230 nan 0.000 0.433 219 V N 1.861 121.741 119.914 -0.056 0.000 2.823 219 V HA 0.399 5.164 4.120 1.076 0.000 0.312 219 V C -0.862 175.186 176.094 -0.078 0.000 1.072 219 V CA -0.687 61.573 62.300 -0.068 0.000 0.937 219 V CB 2.523 34.282 31.823 -0.107 0.000 1.013 219 V HN 0.667 nan 8.190 nan 0.000 0.430 220 D N 3.977 124.370 120.400 -0.013 0.000 2.390 220 D HA 0.143 5.429 4.640 1.076 0.000 0.249 220 D C 0.510 176.836 176.300 0.043 0.000 1.144 220 D CA 0.290 54.319 54.000 0.048 0.000 0.880 220 D CB 1.362 42.216 40.800 0.091 0.000 1.182 220 D HN 0.524 nan 8.370 nan 0.000 0.451 221 F N 0.552 120.545 119.950 0.070 0.000 2.186 221 F HA -0.144 5.020 4.527 1.062 0.000 0.299 221 F C 1.351 177.223 175.800 0.121 0.000 1.090 221 F CA 0.948 58.996 58.000 0.079 0.000 1.307 221 F CB 0.257 39.290 39.000 0.054 0.000 1.019 221 F HN 0.201 nan 8.300 nan 0.000 0.489 222 D N 0.128 120.704 120.400 0.293 0.000 2.453 222 D HA 0.144 5.429 4.640 1.076 0.000 0.238 222 D C 0.930 177.285 176.300 0.092 0.000 1.088 222 D CA -0.247 53.854 54.000 0.169 0.000 0.854 222 D CB 0.883 41.773 40.800 0.149 0.000 1.076 222 D HN 0.233 nan 8.370 nan 0.000 0.533 223 L N 1.942 123.181 121.223 0.026 0.000 2.362 223 L HA 0.123 5.108 4.340 1.076 0.000 0.219 223 L C 1.740 178.593 176.870 -0.028 0.000 1.134 223 L CA 0.381 55.218 54.840 -0.004 0.000 0.807 223 L CB 0.069 42.060 42.059 -0.114 0.000 0.927 223 L HN 0.138 nan 8.230 nan 0.000 0.447 224 R N 0.931 121.405 120.500 -0.043 0.000 2.051 224 R HA 0.041 5.027 4.340 1.076 0.000 0.225 224 R C 0.473 176.773 176.300 -0.000 0.000 1.155 224 R CA 1.567 57.645 56.100 -0.038 0.000 0.945 224 R CB -0.173 30.090 30.300 -0.061 0.000 0.840 224 R HN 0.545 nan 8.270 nan 0.000 0.432 225 T N -1.807 112.759 114.554 0.019 0.000 3.226 225 T HA 0.310 5.305 4.350 1.076 0.000 0.378 225 T C -2.489 172.263 174.700 0.086 0.000 1.380 225 T CA -1.868 60.259 62.100 0.045 0.000 1.396 225 T CB 1.682 70.573 68.868 0.037 0.000 1.044 225 T HN -0.156 nan 8.240 nan 0.000 0.586 226 P HA -0.149 nan 4.420 nan 0.000 0.217 226 P C 1.467 178.887 177.300 0.201 0.000 1.148 226 P CA 1.531 64.716 63.100 0.142 0.000 0.834 226 P CB 0.079 31.843 31.700 0.105 0.000 0.783 227 T N -5.962 108.706 114.554 0.189 0.000 3.091 227 T HA 0.301 5.296 4.350 1.076 0.000 0.277 227 T C 0.415 175.298 174.700 0.304 0.000 0.996 227 T CA -0.230 62.025 62.100 0.258 0.000 0.897 227 T CB -0.412 68.555 68.868 0.166 0.000 1.109 227 T HN -0.097 nan 8.240 nan 0.000 0.534 228 I N 1.764 122.456 120.570 0.203 0.000 2.359 228 I HA 0.438 5.253 4.170 1.076 0.000 0.294 228 I C -0.712 175.429 176.117 0.040 0.000 0.987 228 I CA -1.314 60.074 61.300 0.146 0.000 1.225 228 I CB 1.496 39.558 38.000 0.102 0.000 1.366 228 I HN 0.107 nan 8.210 nan 0.000 0.466 229 F N 7.409 127.266 119.950 -0.154 0.000 2.405 229 F HA 0.229 5.401 4.527 1.074 0.000 0.358 229 F C -0.125 175.673 175.800 -0.003 0.000 1.151 229 F CA -0.083 57.708 58.000 -0.348 0.000 1.161 229 F CB -0.165 38.498 39.000 -0.562 0.000 1.245 229 F HN 0.562 nan 8.300 nan 0.000 0.545 230 D N 2.451 122.744 120.400 -0.178 0.000 2.825 230 D HA 0.141 5.426 4.640 1.076 0.000 0.327 230 D C -0.237 176.101 176.300 0.064 0.000 1.277 230 D CA -0.738 53.348 54.000 0.143 0.000 0.950 230 D CB 0.144 40.995 40.800 0.086 0.000 1.438 230 D HN 0.238 nan 8.370 nan 0.000 0.526 231 N N -0.384 118.378 118.700 0.104 0.000 2.370 231 N HA -0.052 5.333 4.740 1.076 0.000 0.198 231 N C 0.529 176.026 175.510 -0.022 0.000 1.156 231 N CA -0.064 52.978 53.050 -0.014 0.000 0.839 231 N CB 0.036 38.553 38.487 0.051 0.000 0.989 231 N HN 0.186 nan 8.380 nan 0.000 0.468 232 K N 0.473 120.839 120.400 -0.057 0.000 2.209 232 K HA -0.173 4.792 4.320 1.076 0.000 0.204 232 K C 1.361 177.890 176.600 -0.118 0.000 1.048 232 K CA 0.648 56.892 56.287 -0.072 0.000 0.940 232 K CB -0.774 31.690 32.500 -0.059 0.000 0.729 232 K HN 0.421 nan 8.250 nan 0.000 0.451 233 Y N 0.736 120.839 120.300 -0.329 0.000 2.193 233 Y HA -0.320 4.873 4.550 1.071 0.000 0.285 233 Y C 1.753 177.346 175.900 -0.511 0.000 1.166 233 Y CA 1.667 59.496 58.100 -0.452 0.000 1.181 233 Y CB -0.366 37.692 38.460 -0.670 0.000 0.976 233 Y HN 0.024 nan 8.280 nan 0.000 0.520 234 Y N -1.472 118.680 120.300 -0.246 0.000 2.337 234 Y HA -0.100 5.097 4.550 1.078 0.000 0.293 234 Y C 2.472 178.171 175.900 -0.334 0.000 1.123 234 Y CA 1.146 59.062 58.100 -0.307 0.000 1.201 234 Y CB -0.720 37.647 38.460 -0.155 0.000 1.011 234 Y HN -0.037 nan 8.280 nan 0.000 0.545 235 V N 0.542 120.373 119.914 -0.137 0.000 2.427 235 V HA -0.282 4.484 4.120 1.076 0.000 0.248 235 V C 1.842 177.775 176.094 -0.267 0.000 1.051 235 V CA 1.837 64.031 62.300 -0.177 0.000 1.048 235 V CB -0.538 31.209 31.823 -0.126 0.000 0.666 235 V HN 0.467 nan 8.190 nan 0.000 0.456 236 N N 0.588 119.107 118.700 -0.303 0.000 2.084 236 N HA -0.122 5.263 4.740 1.076 0.000 0.190 236 N C 1.830 177.111 175.510 -0.381 0.000 1.030 236 N CA 1.433 54.282 53.050 -0.334 0.000 0.849 236 N CB -0.532 37.754 38.487 -0.335 0.000 1.012 236 N HN 0.390 nan 8.380 nan 0.000 0.423 237 L N 1.357 122.292 121.223 -0.480 0.000 2.042 237 L HA -0.151 4.835 4.340 1.076 0.000 0.210 237 L C 2.015 178.455 176.870 -0.717 0.000 1.076 237 L CA 1.280 55.828 54.840 -0.488 0.000 0.749 237 L CB -0.557 41.218 42.059 -0.473 0.000 0.893 237 L HN 0.222 nan 8.230 nan 0.000 0.432 238 E N 0.238 119.923 120.200 -0.859 0.000 2.265 238 E HA -0.200 4.795 4.350 1.076 0.000 0.196 238 E C 1.271 177.566 176.600 -0.509 0.000 0.996 238 E CA 0.952 56.706 56.400 -1.077 0.000 0.832 238 E CB -0.003 29.332 29.700 -0.609 0.000 0.756 238 E HN 0.600 nan 8.360 nan 0.000 0.491 239 E N 0.304 120.298 120.200 -0.343 0.000 2.465 239 E HA 0.011 5.006 4.350 1.076 0.000 0.195 239 E C -0.321 176.197 176.600 -0.137 0.000 1.028 239 E CA -0.100 56.185 56.400 -0.192 0.000 0.899 239 E CB 0.583 30.171 29.700 -0.186 0.000 1.032 239 E HN 0.066 nan 8.360 nan 0.000 0.468 240 Q N -0.187 119.530 119.800 -0.138 0.000 2.502 240 Q HA -0.211 4.775 4.340 1.076 0.000 0.273 240 Q C 0.008 175.982 176.000 -0.044 0.000 1.127 240 Q CA 0.937 56.712 55.803 -0.047 0.000 0.952 240 Q CB -2.106 26.636 28.738 0.007 0.000 1.333 240 Q HN 0.365 nan 8.270 nan 0.000 0.494 241 K N -0.154 120.170 120.400 -0.126 0.000 2.514 241 K HA 0.270 5.235 4.320 1.076 0.000 0.207 241 K C 0.867 177.433 176.600 -0.056 0.000 1.035 241 K CA 0.374 56.583 56.287 -0.130 0.000 1.113 241 K CB 0.871 33.109 32.500 -0.436 0.000 0.846 241 K HN 0.262 nan 8.250 nan 0.000 0.491 242 G N 1.064 109.828 108.800 -0.060 0.000 2.398 242 G HA2 0.042 4.647 3.960 1.076 0.000 0.246 242 G HA3 0.042 4.647 3.960 1.076 0.000 0.246 242 G C 0.719 175.688 174.900 0.115 0.000 1.289 242 G CA -0.430 44.645 45.100 -0.042 0.000 0.869 242 G HN 0.123 nan 8.290 nan 0.000 0.543 243 L N 3.263 124.589 121.223 0.171 0.000 1.988 243 L HA 0.189 5.174 4.340 1.076 0.000 0.207 243 L C 1.596 178.493 176.870 0.046 0.000 1.071 243 L CA 1.337 56.239 54.840 0.103 0.000 0.744 243 L CB -0.494 41.553 42.059 -0.020 0.000 0.893 243 L HN 0.656 nan 8.230 nan 0.000 0.433 244 I N -3.262 117.384 120.570 0.127 0.000 2.783 244 I HA 0.206 5.021 4.170 1.076 0.000 0.312 244 I C 1.309 177.519 176.117 0.156 0.000 0.988 244 I CA -0.563 60.820 61.300 0.139 0.000 1.182 244 I CB 0.892 39.006 38.000 0.189 0.000 1.368 244 I HN 0.307 nan 8.210 nan 0.000 0.511 245 Q N 2.244 122.146 119.800 0.170 0.000 2.077 245 Q HA -0.221 4.764 4.340 1.076 0.000 0.206 245 Q C 1.983 178.099 176.000 0.193 0.000 0.989 245 Q CA 3.224 59.139 55.803 0.186 0.000 0.853 245 Q CB -0.086 28.843 28.738 0.319 0.000 0.907 245 Q HN 0.955 nan 8.270 nan 0.000 0.418 246 S N 0.050 115.873 115.700 0.205 0.000 2.442 246 S HA -0.164 4.951 4.470 1.076 0.000 0.236 246 S C 1.225 175.947 174.600 0.202 0.000 1.007 246 S CA 1.249 59.566 58.200 0.194 0.000 0.965 246 S CB -0.205 63.095 63.200 0.166 0.000 0.773 246 S HN 0.408 nan 8.310 nan 0.000 0.504 247 D N 1.432 121.978 120.400 0.244 0.000 2.106 247 D HA -0.038 5.248 4.640 1.076 0.000 0.203 247 D C 2.142 178.514 176.300 0.121 0.000 0.977 247 D CA 1.238 55.392 54.000 0.257 0.000 0.844 247 D CB -0.606 40.380 40.800 0.309 0.000 1.002 247 D HN 0.369 nan 8.370 nan 0.000 0.461 248 Q N 0.905 120.761 119.800 0.094 0.000 2.226 248 Q HA -0.122 4.863 4.340 1.076 0.000 0.204 248 Q C 1.681 177.750 176.000 0.115 0.000 0.975 248 Q CA 1.068 56.914 55.803 0.071 0.000 0.866 248 Q CB -0.068 28.697 28.738 0.045 0.000 0.915 248 Q HN 0.192 nan 8.270 nan 0.000 0.440 249 E N -0.117 120.155 120.200 0.120 0.000 2.209 249 E HA -0.157 4.838 4.350 1.076 0.000 0.196 249 E C 1.833 178.495 176.600 0.104 0.000 0.993 249 E CA 0.826 57.295 56.400 0.115 0.000 0.819 249 E CB -0.136 29.644 29.700 0.133 0.000 0.745 249 E HN 0.464 nan 8.360 nan 0.000 0.477 250 L N -0.687 120.610 121.223 0.123 0.000 2.191 250 L HA -0.132 4.853 4.340 1.076 0.000 0.212 250 L C 2.178 179.144 176.870 0.159 0.000 1.103 250 L CA 0.890 55.804 54.840 0.124 0.000 0.769 250 L CB -0.239 41.914 42.059 0.156 0.000 0.908 250 L HN 0.057 nan 8.230 nan 0.000 0.438 251 F N -1.213 118.733 119.950 -0.006 0.000 2.680 251 F HA 0.092 5.263 4.527 1.073 0.000 0.290 251 F C 2.123 177.912 175.800 -0.017 0.000 1.114 251 F CA 0.381 58.368 58.000 -0.022 0.000 1.333 251 F CB 0.416 39.391 39.000 -0.041 0.000 1.091 251 F HN -0.180 nan 8.300 nan 0.000 0.606 252 S N -1.046 114.679 115.700 0.041 0.000 2.512 252 S HA 0.110 5.225 4.470 1.076 0.000 0.216 252 S C 0.697 175.280 174.600 -0.028 0.000 1.006 252 S CA 0.061 58.240 58.200 -0.034 0.000 0.915 252 S CB -0.056 63.180 63.200 0.060 0.000 0.824 252 S HN 0.210 nan 8.310 nan 0.000 0.497 253 S N 2.547 118.247 115.700 0.001 0.000 2.568 253 S HA 0.150 5.266 4.470 1.076 0.000 0.282 253 S C -1.898 172.693 174.600 -0.016 0.000 1.338 253 S CA -1.110 57.100 58.200 0.017 0.000 1.045 253 S CB 0.720 63.944 63.200 0.039 0.000 0.873 253 S HN -0.017 nan 8.310 nan 0.000 0.516 254 P HA -0.024 nan 4.420 nan 0.000 0.225 254 P C 0.683 177.972 177.300 -0.019 0.000 1.148 254 P CA 0.764 63.855 63.100 -0.014 0.000 0.779 254 P CB -0.001 31.700 31.700 0.002 0.000 0.780 255 N N -0.565 118.130 118.700 -0.008 0.000 2.235 255 N HA 0.091 5.477 4.740 1.076 0.000 0.209 255 N C 0.668 176.167 175.510 -0.018 0.000 1.122 255 N CA -0.066 52.979 53.050 -0.009 0.000 0.845 255 N CB 0.165 38.655 38.487 0.006 0.000 1.004 255 N HN -0.067 nan 8.380 nan 0.000 0.499 256 A N -0.169 122.630 122.820 -0.036 0.000 2.327 256 A HA 0.120 5.086 4.320 1.076 0.000 0.228 256 A C 1.650 179.191 177.584 -0.072 0.000 1.275 256 A CA 0.033 52.040 52.037 -0.050 0.000 0.875 256 A CB -0.361 18.599 19.000 -0.067 0.000 0.925 256 A HN 0.201 nan 8.150 nan 0.000 0.493 257 T N 1.358 115.875 114.554 -0.062 0.000 2.759 257 T HA -0.171 4.825 4.350 1.076 0.000 0.269 257 T C 1.671 176.337 174.700 -0.058 0.000 1.042 257 T CA 1.891 63.952 62.100 -0.065 0.000 1.140 257 T CB -0.263 68.576 68.868 -0.048 0.000 0.864 257 T HN 0.877 nan 8.240 nan 0.000 0.455 258 D N 0.857 121.230 120.400 -0.045 0.000 2.305 258 D HA -0.048 5.237 4.640 1.076 0.000 0.206 258 D C 2.068 178.337 176.300 -0.052 0.000 0.974 258 D CA 1.319 55.294 54.000 -0.042 0.000 0.871 258 D CB -0.788 39.996 40.800 -0.027 0.000 0.947 258 D HN 0.533 nan 8.370 nan 0.000 0.516 259 T N -1.340 113.186 114.554 -0.046 0.000 3.035 259 T HA 0.152 5.147 4.350 1.076 0.000 0.259 259 T C 2.335 177.010 174.700 -0.041 0.000 1.078 259 T CA -0.023 62.052 62.100 -0.042 0.000 1.132 259 T CB -0.484 68.380 68.868 -0.006 0.000 0.900 259 T HN 0.082 nan 8.240 nan 0.000 0.480 260 I N 2.691 123.231 120.570 -0.050 0.000 2.163 260 I HA -0.083 4.733 4.170 1.076 0.000 0.243 260 I C -0.227 175.879 176.117 -0.018 0.000 1.085 260 I CA 1.338 62.619 61.300 -0.031 0.000 1.347 260 I CB -1.009 36.883 38.000 -0.180 0.000 1.044 260 I HN 0.243 nan 8.210 nan 0.000 0.408 261 P HA -0.149 nan 4.420 nan 0.000 0.220 261 P C 1.899 179.086 177.300 -0.188 0.000 1.148 261 P CA 1.514 64.559 63.100 -0.091 0.000 0.803 261 P CB 0.019 31.670 31.700 -0.082 0.000 0.782 262 L N -0.867 120.192 121.223 -0.272 0.000 2.072 262 L HA -0.093 4.892 4.340 1.076 0.000 0.205 262 L C 2.788 179.178 176.870 -0.800 0.000 1.079 262 L CA 1.017 55.487 54.840 -0.616 0.000 0.752 262 L CB -1.060 40.680 42.059 -0.532 0.000 0.906 262 L HN -0.188 nan 8.230 nan 0.000 0.436 263 V N 0.052 119.769 119.914 -0.328 0.000 2.287 263 V HA -0.309 4.457 4.120 1.076 0.000 0.248 263 V C 2.647 178.659 176.094 -0.136 0.000 1.053 263 V CA 1.858 64.088 62.300 -0.115 0.000 1.027 263 V CB -0.618 31.315 31.823 0.183 0.000 0.646 263 V HN 0.412 nan 8.190 nan 0.000 0.447 264 R N 0.700 121.161 120.500 -0.066 0.000 2.081 264 R HA -0.151 4.834 4.340 1.076 0.000 0.235 264 R C 2.623 178.875 176.300 -0.081 0.000 1.131 264 R CA 1.766 57.843 56.100 -0.037 0.000 0.960 264 R CB -0.640 29.672 30.300 0.021 0.000 0.856 264 R HN 0.712 nan 8.270 nan 0.000 0.436 265 S N 0.492 116.100 115.700 -0.152 0.000 2.382 265 S HA -0.116 4.999 4.470 1.076 0.000 0.228 265 S C 1.774 176.420 174.600 0.076 0.000 1.027 265 S CA 0.980 59.136 58.200 -0.074 0.000 0.991 265 S CB -0.349 62.780 63.200 -0.120 0.000 0.823 265 S HN 0.140 nan 8.310 nan 0.000 0.469 266 F N 2.295 122.101 119.950 -0.239 0.000 2.367 266 F HA 0.426 5.597 4.527 1.073 0.000 0.298 266 F C 2.766 178.386 175.800 -0.300 0.000 1.094 266 F CA -0.457 57.311 58.000 -0.386 0.000 1.409 266 F CB -1.394 36.962 39.000 -1.073 0.000 1.064 266 F HN 0.363 nan 8.300 nan 0.000 0.528 267 A N 0.232 123.039 122.820 -0.022 0.000 1.970 267 A HA -0.131 4.834 4.320 1.076 0.000 0.216 267 A C 1.967 179.547 177.584 -0.007 0.000 1.170 267 A CA 1.352 53.395 52.037 0.010 0.000 0.645 267 A CB -0.929 18.064 19.000 -0.011 0.000 0.816 267 A HN 0.427 nan 8.150 nan 0.000 0.447 268 N N -0.945 117.753 118.700 -0.004 0.000 2.409 268 N HA 0.012 5.397 4.740 1.076 0.000 0.179 268 N C 0.080 175.588 175.510 -0.003 0.000 1.032 268 N CA 0.676 53.722 53.050 -0.007 0.000 0.898 268 N CB 0.154 38.638 38.487 -0.005 0.000 0.971 268 N HN 0.293 nan 8.380 nan 0.000 0.441 269 S N -0.822 114.886 115.700 0.014 0.000 2.720 269 S HA 0.201 5.317 4.470 1.076 0.000 0.278 269 S C 0.569 175.154 174.600 -0.025 0.000 1.172 269 S CA -0.715 57.482 58.200 -0.005 0.000 1.019 269 S CB 1.360 64.568 63.200 0.013 0.000 1.049 269 S HN -0.040 nan 8.310 nan 0.000 0.483 270 T N 3.807 118.292 114.554 -0.116 0.000 2.720 270 T HA -0.160 4.835 4.350 1.076 0.000 0.268 270 T C 1.809 176.293 174.700 -0.361 0.000 1.037 270 T CA 1.831 63.757 62.100 -0.290 0.000 1.144 270 T CB -0.278 68.319 68.868 -0.451 0.000 0.864 270 T HN 0.766 nan 8.240 nan 0.000 0.444 271 Q N 0.295 119.967 119.800 -0.214 0.000 2.061 271 Q HA -0.158 4.827 4.340 1.076 0.000 0.204 271 Q C 2.245 178.221 176.000 -0.040 0.000 0.984 271 Q CA 1.788 57.522 55.803 -0.115 0.000 0.846 271 Q CB -0.260 28.444 28.738 -0.058 0.000 0.902 271 Q HN 0.450 nan 8.270 nan 0.000 0.421 272 T N 0.894 115.447 114.554 -0.002 0.000 2.708 272 T HA -0.158 4.837 4.350 1.076 0.000 0.266 272 T C 1.300 175.980 174.700 -0.034 0.000 1.037 272 T CA 1.324 63.458 62.100 0.055 0.000 1.146 272 T CB -0.473 68.490 68.868 0.158 0.000 0.865 272 T HN 0.366 nan 8.240 nan 0.000 0.435 273 F N 1.772 121.564 119.950 -0.264 0.000 2.075 273 F HA -0.031 5.141 4.527 1.074 0.000 0.297 273 F C 1.781 177.491 175.800 -0.150 0.000 1.113 273 F CA 0.712 58.368 58.000 -0.574 0.000 1.218 273 F CB -0.873 37.929 39.000 -0.329 0.000 0.984 273 F HN 0.050 nan 8.300 nan 0.000 0.472 274 F N 1.406 121.043 119.950 -0.521 0.000 2.126 274 F HA -0.238 4.934 4.527 1.075 0.000 0.299 274 F C 2.392 177.964 175.800 -0.380 0.000 1.096 274 F CA 1.498 59.190 58.000 -0.512 0.000 1.255 274 F CB -1.686 37.163 39.000 -0.253 0.000 0.997 274 F HN 0.079 nan 8.300 nan 0.000 0.479 275 N N 0.220 118.878 118.700 -0.070 0.000 2.084 275 N HA -0.139 5.246 4.740 1.076 0.000 0.190 275 N C 2.049 177.454 175.510 -0.175 0.000 1.030 275 N CA 1.549 54.529 53.050 -0.116 0.000 0.849 275 N CB -0.794 37.662 38.487 -0.052 0.000 1.012 275 N HN 0.242 nan 8.380 nan 0.000 0.423 276 A N 0.133 122.842 122.820 -0.184 0.000 1.930 276 A HA -0.089 4.876 4.320 1.076 0.000 0.217 276 A C 2.102 179.579 177.584 -0.178 0.000 1.175 276 A CA 0.791 52.738 52.037 -0.150 0.000 0.627 276 A CB -0.844 18.036 19.000 -0.201 0.000 0.815 276 A HN 0.279 nan 8.150 nan 0.000 0.443 277 F N 0.563 120.247 119.950 -0.444 0.000 2.146 277 F HA -0.126 5.044 4.527 1.072 0.000 0.298 277 F C 2.234 177.744 175.800 -0.483 0.000 1.096 277 F CA 1.805 59.553 58.000 -0.420 0.000 1.275 277 F CB -0.210 38.399 39.000 -0.652 0.000 1.008 277 F HN 0.029 nan 8.300 nan 0.000 0.480 278 V N 0.246 119.771 119.914 -0.647 0.000 2.358 278 V HA -0.290 4.475 4.120 1.076 0.000 0.246 278 V C 2.364 178.070 176.094 -0.647 0.000 1.047 278 V CA 2.206 63.874 62.300 -1.053 0.000 1.035 278 V CB -0.704 30.455 31.823 -1.107 0.000 0.658 278 V HN 0.398 nan 8.190 nan 0.000 0.452 279 E N 0.232 120.197 120.200 -0.392 0.000 2.051 279 E HA -0.231 4.764 4.350 1.076 0.000 0.192 279 E C 2.213 178.706 176.600 -0.178 0.000 0.991 279 E CA 1.476 57.743 56.400 -0.222 0.000 0.799 279 E CB -0.228 29.396 29.700 -0.126 0.000 0.748 279 E HN 0.568 nan 8.360 nan 0.000 0.449 280 A N 0.650 123.352 122.820 -0.197 0.000 1.929 280 A HA -0.127 4.838 4.320 1.076 0.000 0.216 280 A C 2.158 179.635 177.584 -0.178 0.000 1.176 280 A CA 1.145 53.107 52.037 -0.125 0.000 0.628 280 A CB -0.317 18.647 19.000 -0.059 0.000 0.816 280 A HN 0.265 nan 8.150 nan 0.000 0.444 281 M N 0.076 119.450 119.600 -0.377 0.000 2.117 281 M HA -0.139 4.987 4.480 1.076 0.000 0.262 281 M C 1.281 177.568 176.300 -0.022 0.000 1.065 281 M CA 1.511 56.652 55.300 -0.265 0.000 1.114 281 M CB -1.287 31.070 32.600 -0.405 0.000 1.361 281 M HN 0.336 nan 8.290 nan 0.000 0.408 282 D N -0.488 119.886 120.400 -0.043 0.000 2.178 282 D HA -0.080 5.206 4.640 1.076 0.000 0.202 282 D C 2.163 178.478 176.300 0.025 0.000 0.974 282 D CA 0.881 54.912 54.000 0.052 0.000 0.841 282 D CB -0.161 40.660 40.800 0.035 0.000 0.953 282 D HN 0.334 nan 8.370 nan 0.000 0.478 283 R N -0.075 120.418 120.500 -0.011 0.000 2.075 283 R HA 0.029 5.014 4.340 1.076 0.000 0.232 283 R C 2.325 178.626 176.300 0.002 0.000 1.126 283 R CA 0.753 56.852 56.100 -0.003 0.000 0.963 283 R CB -0.209 30.091 30.300 -0.001 0.000 0.858 283 R HN 0.181 nan 8.270 nan 0.000 0.435 284 M N -0.072 119.537 119.600 0.014 0.000 2.175 284 M HA -0.052 5.073 4.480 1.076 0.000 0.264 284 M C 1.822 178.130 176.300 0.013 0.000 1.063 284 M CA 1.983 57.295 55.300 0.019 0.000 1.119 284 M CB -0.116 32.525 32.600 0.068 0.000 1.377 284 M HN 0.245 nan 8.290 nan 0.000 0.415 285 G N -0.112 108.733 108.800 0.075 0.000 2.625 285 G HA2 -0.205 4.401 3.960 1.076 0.000 0.214 285 G HA3 -0.205 4.401 3.960 1.076 0.000 0.214 285 G C 1.045 175.980 174.900 0.058 0.000 1.132 285 G CA 0.627 45.804 45.100 0.129 0.000 0.782 285 G HN 0.679 nan 8.290 nan 0.000 0.538 286 N N -0.219 118.491 118.700 0.018 0.000 2.230 286 N HA 0.172 5.557 4.740 1.076 0.000 0.202 286 N C 0.052 175.540 175.510 -0.036 0.000 1.119 286 N CA -0.384 52.661 53.050 -0.008 0.000 0.851 286 N CB 0.110 38.592 38.487 -0.007 0.000 0.990 286 N HN 0.143 nan 8.380 nan 0.000 0.497 287 I N 2.296 122.834 120.570 -0.053 0.000 2.505 287 I HA -0.071 4.744 4.170 1.076 0.000 0.287 287 I C 0.630 176.693 176.117 -0.089 0.000 1.104 287 I CA 0.036 61.281 61.300 -0.093 0.000 1.387 287 I CB 0.546 38.459 38.000 -0.145 0.000 1.404 287 I HN 0.231 nan 8.210 nan 0.000 0.528 288 T N 4.565 119.065 114.554 -0.089 0.000 3.213 288 T HA -0.127 4.868 4.350 1.076 0.000 0.427 288 T C -1.963 172.694 174.700 -0.072 0.000 0.772 288 T CA -0.681 61.368 62.100 -0.085 0.000 2.150 288 T CB -1.823 66.978 68.868 -0.112 0.000 1.655 288 T HN 0.472 nan 8.240 nan 0.000 0.584 289 P HA 0.503 nan 4.420 nan 0.000 0.276 289 P C 0.247 177.520 177.300 -0.044 0.000 1.244 289 P CA -0.923 62.148 63.100 -0.047 0.000 0.801 289 P CB 1.005 32.675 31.700 -0.050 0.000 1.006 290 L N 1.921 123.123 121.223 -0.035 0.000 2.292 290 L HA 0.443 5.428 4.340 1.076 0.000 0.284 290 L C 1.170 178.015 176.870 -0.042 0.000 1.065 290 L CA -0.022 54.802 54.840 -0.026 0.000 0.806 290 L CB 1.218 43.273 42.059 -0.006 0.000 1.175 290 L HN 0.564 nan 8.230 nan 0.000 0.431 291 T N -1.079 113.453 114.554 -0.037 0.000 2.804 291 T HA 0.773 5.769 4.350 1.076 0.000 0.290 291 T C 0.488 175.180 174.700 -0.014 0.000 1.099 291 T CA -0.059 62.009 62.100 -0.052 0.000 1.011 291 T CB 1.802 70.631 68.868 -0.064 0.000 1.291 291 T HN 0.865 nan 8.240 nan 0.000 0.523 292 G N 1.283 110.086 108.800 0.005 0.000 2.620 292 G HA2 -0.353 4.252 3.960 1.076 0.000 0.315 292 G HA3 -0.353 4.252 3.960 1.076 0.000 0.315 292 G C 0.982 175.911 174.900 0.047 0.000 1.179 292 G CA 1.871 46.994 45.100 0.040 0.000 0.971 292 G HN 2.081 nan 8.290 nan 0.000 0.544 293 T N -0.886 113.689 114.554 0.034 0.000 3.054 293 T HA 0.473 5.468 4.350 1.076 0.000 0.255 293 T C 0.827 175.544 174.700 0.028 0.000 1.035 293 T CA 0.987 63.108 62.100 0.035 0.000 0.941 293 T CB 0.282 69.168 68.868 0.030 0.000 1.026 293 T HN 0.748 nan 8.240 nan 0.000 0.533 294 Q N 1.516 121.328 119.800 0.020 0.000 2.352 294 Q HA 0.493 5.478 4.340 1.076 0.000 0.260 294 Q C 1.137 177.149 176.000 0.021 0.000 0.976 294 Q CA 0.389 56.202 55.803 0.017 0.000 0.881 294 Q CB 0.641 29.383 28.738 0.007 0.000 1.235 294 Q HN 0.584 nan 8.270 nan 0.000 0.419 295 G N 1.694 110.509 108.800 0.024 0.000 2.641 295 G HA2 -0.287 4.318 3.960 1.076 0.000 0.254 295 G HA3 -0.287 4.318 3.960 1.076 0.000 0.254 295 G C -0.707 174.213 174.900 0.034 0.000 1.315 295 G CA 0.023 45.141 45.100 0.029 0.000 0.907 295 G HN 0.686 nan 8.290 nan 0.000 0.572 296 Q N -1.582 118.241 119.800 0.038 0.000 2.687 296 Q HA 0.736 5.722 4.340 1.076 0.000 0.305 296 Q C -0.789 175.243 176.000 0.054 0.000 1.006 296 Q CA -1.207 54.623 55.803 0.045 0.000 0.763 296 Q CB 1.759 30.521 28.738 0.040 0.000 1.506 296 Q HN 0.476 nan 8.270 nan 0.000 0.459 297 I N 1.908 122.514 120.570 0.061 0.000 2.310 297 I HA 0.280 5.095 4.170 1.076 0.000 0.287 297 I C 0.011 176.158 176.117 0.051 0.000 1.073 297 I CA -0.266 61.076 61.300 0.069 0.000 1.216 297 I CB 0.373 38.425 38.000 0.087 0.000 1.415 297 I HN 0.576 nan 8.210 nan 0.000 0.480 298 R N 4.860 125.387 120.500 0.046 0.000 2.522 298 R HA 0.132 5.117 4.340 1.076 0.000 0.284 298 R C 0.827 177.146 176.300 0.031 0.000 1.032 298 R CA -0.001 56.122 56.100 0.038 0.000 1.049 298 R CB 0.817 31.142 30.300 0.040 0.000 0.956 298 R HN 0.585 nan 8.270 nan 0.000 0.422 299 L N 2.217 123.456 121.223 0.026 0.000 2.202 299 L HA 0.041 5.027 4.340 1.076 0.000 0.205 299 L C 0.801 177.682 176.870 0.017 0.000 1.083 299 L CA 0.456 55.307 54.840 0.019 0.000 0.790 299 L CB -0.207 41.862 42.059 0.016 0.000 0.942 299 L HN 0.566 nan 8.230 nan 0.000 0.452 300 N N -0.722 117.990 118.700 0.020 0.000 2.483 300 N HA 0.120 5.506 4.740 1.076 0.000 0.267 300 N C 0.435 175.962 175.510 0.029 0.000 0.998 300 N CA -0.440 52.622 53.050 0.021 0.000 0.918 300 N CB 1.494 39.990 38.487 0.016 0.000 1.215 300 N HN -0.025 nan 8.380 nan 0.000 0.500 301 c N 2.520 121.141 118.600 0.035 0.000 2.409 301 c HA -0.003 5.212 4.570 1.076 0.000 0.288 301 c C 2.118 176.235 174.090 0.045 0.000 1.395 301 c CA 0.469 56.826 56.329 0.047 0.000 1.792 301 c CB -0.900 41.647 42.510 0.062 0.000 1.847 301 c HN 0.691 nan 8.230 nan 0.000 0.534 302 R N 0.323 120.842 120.500 0.031 0.000 2.240 302 R HA 0.105 5.090 4.340 1.076 0.000 0.203 302 R C 0.471 176.787 176.300 0.025 0.000 1.011 302 R CA 0.645 56.753 56.100 0.015 0.000 1.007 302 R CB 0.080 30.377 30.300 -0.005 0.000 0.911 302 R HN 0.565 nan 8.270 nan 0.000 0.468 303 V N -3.384 116.550 119.914 0.033 0.000 3.049 303 V HA 0.449 5.215 4.120 1.076 0.000 0.309 303 V C 0.001 176.126 176.094 0.053 0.000 1.148 303 V CA -1.304 61.022 62.300 0.042 0.000 0.990 303 V CB 2.120 33.951 31.823 0.014 0.000 1.039 303 V HN -0.300 nan 8.190 nan 0.000 0.430 304 V N 2.958 122.917 119.914 0.074 0.000 2.811 304 V HA 0.238 5.003 4.120 1.076 0.000 0.302 304 V C 0.678 176.797 176.094 0.042 0.000 1.063 304 V CA -0.248 62.092 62.300 0.066 0.000 1.088 304 V CB 0.601 32.479 31.823 0.092 0.000 0.982 304 V HN 1.000 nan 8.190 nan 0.000 0.485 305 N N 2.214 120.935 118.700 0.036 0.000 2.453 305 N HA 0.254 5.639 4.740 1.076 0.000 0.253 305 N C 0.053 175.577 175.510 0.023 0.000 1.252 305 N CA 0.048 53.114 53.050 0.027 0.000 0.917 305 N CB 0.953 39.456 38.487 0.027 0.000 1.117 305 N HN 0.949 nan 8.380 nan 0.000 0.442 306 S N 0.000 115.709 115.700 0.016 0.000 2.498 306 S HA 0.000 5.115 4.470 1.076 0.000 0.327 306 S CA 0.000 58.207 58.200 0.011 0.000 1.107 306 S CB 0.000 63.203 63.200 0.005 0.000 0.593 306 S HN 0.000 nan 8.310 nan 0.000 0.517