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 1atj_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 0.000 175.989 176.000 -0.018 0.000 1.003 1 Q CA 0.000 55.800 55.803 -0.005 0.000 1.022 1 Q CB 0.000 28.730 28.738 -0.014 0.000 1.108 2 L N 1.559 122.761 121.223 -0.035 0.000 2.326 2 L HA 0.200 nan 4.340 nan 0.000 0.278 2 L C -0.646 176.212 176.870 -0.020 0.000 1.092 2 L CA -0.021 54.778 54.840 -0.068 0.000 0.810 2 L CB 0.615 42.630 42.059 -0.073 0.000 1.153 2 L HN -0.379 7.835 8.230 -0.027 0.000 0.439 3 T N 2.899 117.449 114.554 -0.006 0.000 2.893 3 T HA 0.476 nan 4.350 nan 0.000 0.293 3 T C -1.321 173.400 174.700 0.035 0.000 1.027 3 T CA -2.614 59.507 62.100 0.036 0.000 0.988 3 T CB 1.789 70.701 68.868 0.074 0.000 1.043 3 T HN 0.022 8.234 8.240 -0.047 0.000 0.461 4 P HA 0.004 nan 4.420 nan 0.000 0.226 4 P C -0.346 176.980 177.300 0.043 0.000 1.153 4 P CA 1.406 64.526 63.100 0.032 0.000 0.777 4 P CB 0.405 32.127 31.700 0.036 0.000 0.794 5 T N -6.345 108.236 114.554 0.046 0.000 3.145 5 T HA 0.178 nan 4.350 nan 0.000 0.255 5 T C 1.439 176.147 174.700 0.014 0.000 1.039 5 T CA -1.076 61.043 62.100 0.033 0.000 0.928 5 T CB -0.671 68.204 68.868 0.011 0.000 1.029 5 T HN -0.520 7.702 8.240 0.047 0.047 0.554 6 F N 4.026 123.866 119.950 -0.183 0.000 2.147 6 F HA -0.479 nan 4.527 nan 0.000 0.301 6 F C -0.343 175.229 175.800 -0.380 0.000 1.084 6 F CA 3.945 61.739 58.000 -0.343 0.000 1.268 6 F CB 0.354 39.014 39.000 -0.567 0.000 1.009 6 F HN -0.764 7.531 8.300 0.126 0.081 0.486 7 Y N -7.378 112.983 120.300 0.101 0.000 2.458 7 Y HA 0.059 nan 4.550 nan 0.000 0.256 7 Y C 0.824 176.708 175.900 -0.026 0.000 1.159 7 Y CA -1.152 56.958 58.100 0.018 0.000 1.261 7 Y CB -0.443 38.067 38.460 0.083 0.000 1.119 7 Y HN -0.351 7.941 8.280 0.054 0.020 0.524 8 D N 1.665 122.110 120.400 0.076 0.000 2.221 8 D HA -0.270 nan 4.640 nan 0.000 0.204 8 D C 0.852 177.160 176.300 0.014 0.000 0.982 8 D CA 3.443 57.467 54.000 0.041 0.000 0.857 8 D CB -0.557 40.252 40.800 0.016 0.000 0.934 8 D HN -0.102 8.112 8.370 0.032 0.176 0.475 9 N N -2.794 115.897 118.700 -0.014 0.000 2.454 9 N HA 0.016 nan 4.740 nan 0.000 0.177 9 N C 0.581 176.086 175.510 -0.008 0.000 1.049 9 N CA 1.275 54.312 53.050 -0.022 0.000 0.887 9 N CB 0.934 39.392 38.487 -0.049 0.000 1.095 9 N HN 0.098 8.424 8.380 -0.041 0.029 0.446 10 S N -1.555 114.148 115.700 0.005 0.000 2.406 10 S HA -0.003 nan 4.470 nan 0.000 0.224 10 S C 0.110 174.742 174.600 0.053 0.000 1.030 10 S CA 1.295 59.514 58.200 0.031 0.000 0.958 10 S CB 1.003 64.231 63.200 0.047 0.000 0.811 10 S HN -0.117 8.190 8.310 -0.005 0.000 0.489 11 c N 3.192 121.842 118.600 0.084 0.000 3.432 11 c HA 0.490 nan 4.570 nan 0.000 0.242 11 c C -1.657 172.454 174.090 0.034 0.000 1.152 11 c CA -2.314 54.031 56.329 0.026 0.000 1.242 11 c CB -0.036 42.446 42.510 -0.047 0.000 1.802 11 c HN 0.287 8.476 8.230 0.136 0.123 0.577 12 P HA -0.143 nan 4.420 nan 0.000 0.223 12 P C 0.115 177.419 177.300 0.006 0.000 1.144 12 P CA 2.089 65.204 63.100 0.025 0.000 0.783 12 P CB 0.148 31.856 31.700 0.013 0.000 0.771 13 N N -3.116 115.577 118.700 -0.012 0.000 2.236 13 N HA 0.173 nan 4.740 nan 0.000 0.196 13 N C 1.601 177.085 175.510 -0.043 0.000 1.114 13 N CA 0.255 53.290 53.050 -0.025 0.000 0.859 13 N CB 0.453 38.925 38.487 -0.026 0.000 0.982 13 N HN -0.133 8.182 8.380 -0.016 0.056 0.493 14 V N -1.238 118.640 119.914 -0.060 0.000 2.250 14 V HA -0.545 nan 4.120 nan 0.000 0.250 14 V C 1.311 177.358 176.094 -0.079 0.000 1.060 14 V CA 4.582 66.824 62.300 -0.097 0.000 1.030 14 V CB -1.197 30.531 31.823 -0.159 0.000 0.643 14 V HN -0.339 7.770 8.190 -0.048 0.052 0.445 15 S N -0.088 115.576 115.700 -0.060 0.000 2.399 15 S HA -0.449 nan 4.470 nan 0.000 0.231 15 S C 1.941 176.502 174.600 -0.065 0.000 1.022 15 S CA 4.079 62.236 58.200 -0.071 0.000 0.983 15 S CB -0.826 62.332 63.200 -0.070 0.000 0.803 15 S HN 0.294 8.579 8.310 -0.041 0.000 0.480 16 N N 2.879 121.549 118.700 -0.050 0.000 2.084 16 N HA -0.262 nan 4.740 nan 0.000 0.190 16 N C 2.057 177.540 175.510 -0.044 0.000 1.030 16 N CA 3.378 56.403 53.050 -0.042 0.000 0.849 16 N CB -0.071 38.396 38.487 -0.032 0.000 1.012 16 N HN -0.661 7.678 8.380 -0.044 0.014 0.423 17 I N 0.526 121.067 120.570 -0.048 0.000 2.163 17 I HA -0.538 nan 4.170 nan 0.000 0.243 17 I C 1.612 177.699 176.117 -0.051 0.000 1.085 17 I CA 4.588 65.860 61.300 -0.047 0.000 1.347 17 I CB -0.322 37.647 38.000 -0.053 0.000 1.044 17 I HN -0.060 8.120 8.210 -0.050 0.000 0.408 18 V N 0.138 120.014 119.914 -0.063 0.000 2.295 18 V HA -0.503 nan 4.120 nan 0.000 0.246 18 V C 1.855 177.912 176.094 -0.061 0.000 1.049 18 V CA 4.624 66.884 62.300 -0.068 0.000 1.024 18 V CB -1.119 30.652 31.823 -0.087 0.000 0.648 18 V HN 0.315 8.463 8.190 -0.070 0.000 0.447 19 R N -0.688 119.775 120.500 -0.063 0.000 2.083 19 R HA -0.473 nan 4.340 nan 0.000 0.237 19 R C 1.736 178.013 176.300 -0.039 0.000 1.137 19 R CA 3.855 59.922 56.100 -0.055 0.000 0.951 19 R CB -0.281 29.986 30.300 -0.055 0.000 0.851 19 R HN 0.412 8.532 8.270 -0.067 0.110 0.434 20 D N -1.593 118.786 120.400 -0.035 0.000 2.144 20 D HA -0.218 nan 4.640 nan 0.000 0.199 20 D C 2.508 178.793 176.300 -0.024 0.000 0.984 20 D CA 3.294 57.279 54.000 -0.026 0.000 0.834 20 D CB -0.504 40.282 40.800 -0.024 0.000 0.955 20 D HN 0.228 8.575 8.370 -0.038 0.000 0.465 21 T N 2.843 117.380 114.554 -0.029 0.000 2.708 21 T HA -0.249 nan 4.350 nan 0.000 0.266 21 T C 2.093 176.779 174.700 -0.024 0.000 1.037 21 T CA 4.808 66.892 62.100 -0.025 0.000 1.146 21 T CB -0.356 68.495 68.868 -0.030 0.000 0.865 21 T HN -0.292 7.919 8.240 -0.034 0.009 0.435 22 I N 0.979 121.531 120.570 -0.029 0.000 2.202 22 I HA -0.466 nan 4.170 nan 0.000 0.242 22 I C 1.327 177.435 176.117 -0.016 0.000 1.091 22 I CA 4.571 65.855 61.300 -0.026 0.000 1.368 22 I CB -0.322 37.658 38.000 -0.033 0.000 1.058 22 I HN -0.291 7.824 8.210 -0.035 0.074 0.410 23 V N -0.227 119.678 119.914 -0.015 0.000 2.324 23 V HA -0.615 nan 4.120 nan 0.000 0.250 23 V C 1.972 178.063 176.094 -0.005 0.000 1.060 23 V CA 4.826 67.122 62.300 -0.007 0.000 1.042 23 V CB -1.073 30.745 31.823 -0.008 0.000 0.650 23 V HN 0.278 8.456 8.190 -0.020 0.000 0.450 24 N N -1.939 116.756 118.700 -0.008 0.000 2.069 24 N HA -0.355 nan 4.740 nan 0.000 0.191 24 N C 2.092 177.599 175.510 -0.005 0.000 1.031 24 N CA 3.475 56.521 53.050 -0.006 0.000 0.852 24 N CB 0.113 38.595 38.487 -0.009 0.000 1.018 24 N HN -0.329 8.044 8.380 -0.012 -0.001 0.423 25 E N -0.141 120.054 120.200 -0.009 0.000 2.106 25 E HA -0.258 nan 4.350 nan 0.000 0.192 25 E C 2.483 179.080 176.600 -0.006 0.000 0.984 25 E CA 2.098 58.492 56.400 -0.009 0.000 0.806 25 E CB -0.186 29.505 29.700 -0.016 0.000 0.750 25 E HN -0.454 7.818 8.360 -0.012 0.081 0.458 26 L N -1.504 119.716 121.223 -0.004 0.000 2.129 26 L HA -0.311 nan 4.340 nan 0.000 0.212 26 L C 1.904 178.778 176.870 0.006 0.000 1.087 26 L CA 2.976 57.818 54.840 0.002 0.000 0.757 26 L CB -0.379 41.686 42.059 0.011 0.000 0.896 26 L HN 0.284 8.498 8.230 -0.005 0.012 0.434 27 R N -2.589 117.914 120.500 0.005 0.000 2.120 27 R HA -0.252 nan 4.340 nan 0.000 0.234 27 R C 1.060 177.363 176.300 0.006 0.000 1.123 27 R CA 2.625 58.729 56.100 0.007 0.000 0.975 27 R CB 0.222 30.525 30.300 0.005 0.000 0.866 27 R HN -0.283 7.974 8.270 0.003 0.015 0.446 28 S N -2.984 112.718 115.700 0.003 0.000 2.497 28 S HA 0.047 nan 4.470 nan 0.000 0.221 28 S C -0.272 174.329 174.600 0.002 0.000 1.037 28 S CA 1.446 59.648 58.200 0.003 0.000 0.920 28 S CB 1.297 64.498 63.200 0.002 0.000 0.800 28 S HN -0.530 7.651 8.310 0.001 0.130 0.505 29 D N 0.866 121.265 120.400 -0.002 0.000 2.375 29 D HA 0.472 nan 4.640 nan 0.000 0.259 29 D C -1.412 174.882 176.300 -0.010 0.000 1.235 29 D CA -2.747 51.249 54.000 -0.007 0.000 0.924 29 D CB 1.332 42.124 40.800 -0.014 0.000 1.143 29 D HN -0.040 8.225 8.370 -0.003 0.104 0.529 30 P HA -0.129 nan 4.420 nan 0.000 0.228 30 P C 0.243 177.533 177.300 -0.016 0.000 1.151 30 P CA 1.126 64.228 63.100 0.004 0.000 0.770 30 P CB 0.250 31.960 31.700 0.017 0.000 0.786 31 R N -1.972 118.507 120.500 -0.036 0.000 2.276 31 R HA -0.015 nan 4.340 nan 0.000 0.196 31 R C 1.389 177.619 176.300 -0.117 0.000 0.961 31 R CA 1.063 57.116 56.100 -0.078 0.000 1.024 31 R CB 0.276 30.545 30.300 -0.052 0.000 0.940 31 R HN -0.658 7.739 8.270 -0.025 -0.141 0.480 32 I N 0.455 120.976 120.570 -0.081 0.000 2.236 32 I HA -0.485 nan 4.170 nan 0.000 0.249 32 I C 0.274 176.327 176.117 -0.108 0.000 1.102 32 I CA 1.944 63.192 61.300 -0.086 0.000 1.365 32 I CB -0.235 37.733 38.000 -0.054 0.000 1.051 32 I HN -0.214 7.807 8.210 -0.053 0.156 0.420 33 A N -2.059 120.700 122.820 -0.101 0.000 1.902 33 A HA -0.324 nan 4.320 nan 0.000 0.217 33 A C 1.678 179.139 177.584 -0.205 0.000 1.181 33 A CA 3.198 55.195 52.037 -0.068 0.000 0.623 33 A CB -1.240 17.802 19.000 0.069 0.000 0.818 33 A HN 0.188 8.289 8.150 -0.083 0.000 0.443 34 A N -1.286 121.191 122.820 -0.572 0.000 1.877 34 A HA -0.312 nan 4.320 nan 0.000 0.216 34 A C 2.305 179.705 177.584 -0.306 0.000 1.186 34 A CA 3.004 54.526 52.037 -0.858 0.000 0.620 34 A CB -1.016 17.389 19.000 -0.992 0.000 0.822 34 A HN -0.394 7.444 8.150 -0.520 0.000 0.443 35 S N -0.332 115.235 115.700 -0.222 0.000 2.359 35 S HA -0.354 nan 4.470 nan 0.000 0.224 35 S C 2.324 176.843 174.600 -0.136 0.000 1.035 35 S CA 4.144 62.250 58.200 -0.156 0.000 1.018 35 S CB -0.318 62.791 63.200 -0.152 0.000 0.876 35 S HN -0.552 7.617 8.310 -0.235 0.000 0.448 36 I N 1.355 121.858 120.570 -0.111 0.000 2.226 36 I HA -0.448 nan 4.170 nan 0.000 0.245 36 I C 1.505 177.630 176.117 0.013 0.000 1.100 36 I CA 3.769 65.028 61.300 -0.068 0.000 1.374 36 I CB -0.120 37.845 38.000 -0.059 0.000 1.057 36 I HN -0.113 8.025 8.210 -0.120 0.000 0.413 37 L N -0.344 120.915 121.223 0.061 0.000 2.042 37 L HA -0.413 nan 4.340 nan 0.000 0.210 37 L C 1.401 178.380 176.870 0.183 0.000 1.076 37 L CA 3.411 58.358 54.840 0.179 0.000 0.749 37 L CB -0.606 41.631 42.059 0.296 0.000 0.893 37 L HN -0.394 7.850 8.230 0.025 0.000 0.432 38 R N -1.127 119.421 120.500 0.081 0.000 2.096 38 R HA -0.336 nan 4.340 nan 0.000 0.235 38 R C 2.454 178.724 176.300 -0.050 0.000 1.127 38 R CA 3.546 59.671 56.100 0.040 0.000 0.968 38 R CB -0.233 30.020 30.300 -0.079 0.000 0.861 38 R HN -0.356 7.929 8.270 0.025 0.000 0.440 39 L N -1.557 119.631 121.223 -0.058 0.000 2.046 39 L HA -0.462 nan 4.340 nan 0.000 0.208 39 L C 1.818 178.748 176.870 0.100 0.000 1.077 39 L CA 3.239 58.056 54.840 -0.038 0.000 0.747 39 L CB -0.580 41.428 42.059 -0.085 0.000 0.896 39 L HN -0.210 7.897 8.230 -0.066 0.084 0.432 40 H N 0.303 119.408 119.070 0.058 0.000 2.321 40 H HA -0.394 nan 4.556 nan 0.000 0.300 40 H C 1.993 177.426 175.328 0.174 0.000 1.087 40 H CA 3.801 59.909 56.048 0.101 0.000 1.319 40 H CB 0.710 30.530 29.762 0.096 0.000 1.379 40 H HN -0.495 7.919 8.280 0.224 0.000 0.501 41 F N 0.659 120.587 119.950 -0.038 0.000 2.069 41 F HA -0.459 nan 4.527 nan 0.000 0.298 41 F C 1.500 177.308 175.800 0.013 0.000 1.113 41 F CA 2.862 60.811 58.000 -0.086 0.000 1.214 41 F CB -0.590 38.366 39.000 -0.073 0.000 0.978 41 F HN -0.266 8.237 8.300 0.339 0.000 0.474 42 H N -2.449 116.348 119.070 -0.455 0.000 2.491 42 H HA -0.318 nan 4.556 nan 0.000 0.290 42 H C 1.786 176.992 175.328 -0.203 0.000 1.050 42 H CA 2.065 57.817 56.048 -0.494 0.000 1.309 42 H CB 0.061 29.644 29.762 -0.298 0.000 1.392 42 H HN -0.004 8.266 8.280 -0.017 0.000 0.554 43 D N -0.741 119.671 120.400 0.021 0.000 2.091 43 D HA -0.108 nan 4.640 nan 0.000 0.199 43 D C 2.323 178.621 176.300 -0.003 0.000 0.980 43 D CA 2.530 56.550 54.000 0.033 0.000 0.831 43 D CB 0.443 41.286 40.800 0.072 0.000 0.987 43 D HN -0.214 7.939 8.370 0.032 0.236 0.460 44 c N 0.005 118.574 118.600 -0.052 0.000 2.422 44 c HA -0.242 nan 4.570 nan 0.000 0.279 44 c C 2.501 176.616 174.090 0.042 0.000 1.305 44 c CA 3.751 60.062 56.329 -0.028 0.000 1.757 44 c CB -1.284 41.171 42.510 -0.092 0.000 1.962 44 c HN 0.127 8.285 8.230 -0.119 0.000 0.499 45 F N -2.071 117.756 119.950 -0.204 0.000 2.661 45 F HA -0.100 nan 4.527 nan 0.000 0.298 45 F C -0.264 175.422 175.800 -0.190 0.000 1.137 45 F CA 1.905 59.772 58.000 -0.221 0.000 1.454 45 F CB 0.393 39.194 39.000 -0.333 0.000 1.103 45 F HN -0.660 7.716 8.300 0.160 0.020 0.577 46 V N 0.981 120.886 119.914 -0.015 0.000 2.284 46 V HA 0.065 nan 4.120 nan 0.000 0.274 46 V C -1.119 174.927 176.094 -0.079 0.000 1.023 46 V CA -1.664 60.609 62.300 -0.045 0.000 0.808 46 V CB -1.259 30.566 31.823 0.004 0.000 1.035 46 V HN -0.661 7.480 8.190 0.002 0.051 0.445 47 N N 2.685 121.269 118.700 -0.193 0.000 2.741 47 N HA -0.323 nan 4.740 nan 0.000 0.250 47 N C -0.064 175.357 175.510 -0.149 0.000 1.115 47 N CA 0.853 53.742 53.050 -0.268 0.000 0.724 47 N CB -0.354 37.803 38.487 -0.549 0.000 1.090 47 N HN 0.623 8.884 8.380 -0.199 0.000 0.558 48 G N -4.751 103.981 108.800 -0.113 0.000 2.796 48 G HA2 -0.421 nan 3.960 nan 0.000 0.571 48 G HA3 -0.421 nan 3.960 nan 0.000 0.571 48 G C -0.634 174.249 174.900 -0.027 0.000 1.370 48 G CA -0.353 44.702 45.100 -0.075 0.000 0.856 48 G HN -0.750 7.441 8.290 -0.130 0.021 0.538 49 c N 2.806 121.400 118.600 -0.011 0.000 2.305 49 c HA 0.010 nan 4.570 nan 0.000 0.378 49 c C -0.324 173.794 174.090 0.046 0.000 1.047 49 c CA -0.983 55.364 56.329 0.031 0.000 1.385 49 c CB -2.747 39.809 42.510 0.077 0.000 1.825 49 c HN 0.164 8.383 8.230 -0.018 0.000 0.508 50 D N 1.293 121.725 120.400 0.053 0.000 2.556 50 D HA -0.025 nan 4.640 nan 0.000 0.237 50 D C -0.233 176.104 176.300 0.061 0.000 1.296 50 D CA -1.488 52.544 54.000 0.055 0.000 0.807 50 D CB -0.110 40.729 40.800 0.066 0.000 1.084 50 D HN -0.353 8.223 8.370 0.056 -0.172 0.510 51 A N -1.879 120.986 122.820 0.074 0.000 2.847 51 A HA -0.448 nan 4.320 nan 0.000 0.263 51 A C 1.199 178.813 177.584 0.049 0.000 1.391 51 A CA 1.513 53.593 52.037 0.073 0.000 0.866 51 A CB -2.227 16.810 19.000 0.062 0.000 1.057 51 A HN 0.037 8.542 8.150 0.084 -0.305 0.673 52 S N -0.957 114.773 115.700 0.050 0.000 2.399 52 S HA -0.276 nan 4.470 nan 0.000 0.231 52 S C 1.764 176.350 174.600 -0.023 0.000 1.022 52 S CA 2.794 60.984 58.200 -0.016 0.000 0.983 52 S CB 0.072 63.320 63.200 0.080 0.000 0.803 52 S HN -0.086 8.609 8.310 0.078 -0.339 0.480 53 I N 0.243 120.845 120.570 0.053 0.000 2.700 53 I HA -0.302 nan 4.170 nan 0.000 0.261 53 I C -0.082 176.093 176.117 0.096 0.000 1.219 53 I CA 1.818 63.169 61.300 0.085 0.000 1.463 53 I CB -0.087 38.007 38.000 0.156 0.000 1.092 53 I HN -0.756 7.483 8.210 0.077 0.018 0.452 54 L N -3.760 117.516 121.223 0.089 0.000 2.509 54 L HA -0.085 nan 4.340 nan 0.000 0.222 54 L C -0.067 176.795 176.870 -0.014 0.000 1.123 54 L CA 0.045 54.934 54.840 0.083 0.000 0.856 54 L CB 0.303 42.436 42.059 0.124 0.000 0.985 54 L HN -0.832 7.273 8.230 0.072 0.168 0.456 55 L N -0.962 120.249 121.223 -0.020 0.000 2.416 55 L HA -0.203 nan 4.340 nan 0.000 0.272 55 L C -0.621 176.251 176.870 0.004 0.000 1.161 55 L CA 0.246 55.094 54.840 0.014 0.000 0.845 55 L CB 0.164 42.246 42.059 0.039 0.000 1.119 55 L HN -0.940 7.232 8.230 -0.027 0.042 0.464 56 D N 3.425 123.829 120.400 0.006 0.000 2.388 56 D HA 0.053 nan 4.640 nan 0.000 0.254 56 D C -1.055 175.243 176.300 -0.003 0.000 1.111 56 D CA -0.627 53.350 54.000 -0.039 0.000 0.993 56 D CB 1.321 42.080 40.800 -0.068 0.000 1.118 56 D HN -0.182 8.201 8.370 0.022 0.000 0.502 57 N N -1.581 117.088 118.700 -0.052 0.000 2.345 57 N HA -0.150 nan 4.740 nan 0.000 0.243 57 N C -0.140 175.233 175.510 -0.228 0.000 1.246 57 N CA 1.304 54.291 53.050 -0.104 0.000 0.863 57 N CB 0.552 38.983 38.487 -0.093 0.000 1.096 57 N HN -0.001 8.342 8.380 -0.062 0.000 0.446 58 T N -1.820 112.479 114.554 -0.426 0.000 2.804 58 T HA 0.407 nan 4.350 nan 0.000 0.290 58 T C 0.851 175.321 174.700 -0.382 0.000 1.099 58 T CA -0.513 61.294 62.100 -0.488 0.000 1.011 58 T CB 1.959 70.321 68.868 -0.843 0.000 1.291 58 T HN 0.221 8.195 8.240 -0.444 0.000 0.523 59 T N -5.720 108.660 114.554 -0.289 0.000 3.085 59 T HA 0.135 nan 4.350 nan 0.000 0.263 59 T C 0.570 175.155 174.700 -0.191 0.000 1.127 59 T CA 1.311 63.297 62.100 -0.190 0.000 1.103 59 T CB -0.294 68.497 68.868 -0.128 0.000 0.921 59 T HN 0.338 8.414 8.240 -0.273 0.000 0.510 60 S N 2.158 117.680 115.700 -0.296 0.000 2.486 60 S HA -0.001 nan 4.470 nan 0.000 0.220 60 S C -0.754 173.791 174.600 -0.092 0.000 1.011 60 S CA 0.803 58.899 58.200 -0.174 0.000 0.921 60 S CB 1.173 64.312 63.200 -0.103 0.000 0.785 60 S HN -0.345 7.663 8.310 -0.441 0.037 0.517 61 F N -1.325 118.582 119.950 -0.072 0.000 2.665 61 F HA 0.204 nan 4.527 nan 0.000 0.308 61 F C -2.230 173.514 175.800 -0.094 0.000 1.112 61 F CA -1.282 56.662 58.000 -0.092 0.000 0.972 61 F CB 1.530 40.444 39.000 -0.143 0.000 1.295 61 F HN -0.621 7.132 8.300 -0.740 0.102 0.440 62 R N 0.566 121.173 120.500 0.179 0.000 2.441 62 R HA 0.290 nan 4.340 nan 0.000 0.284 62 R C -0.243 176.137 176.300 0.134 0.000 1.070 62 R CA -0.963 55.190 56.100 0.088 0.000 1.047 62 R CB 0.509 30.828 30.300 0.032 0.000 1.016 62 R HN 0.327 8.701 8.270 0.174 0.000 0.477 63 T N 2.377 116.971 114.554 0.066 0.000 2.919 63 T HA 0.094 nan 4.350 nan 0.000 0.302 63 T C 1.458 176.144 174.700 -0.024 0.000 1.031 63 T CA -0.585 61.531 62.100 0.027 0.000 1.127 63 T CB 1.020 69.873 68.868 -0.026 0.000 0.952 63 T HN -0.079 8.466 8.240 0.025 -0.290 0.540 64 E N 6.601 126.776 120.200 -0.041 0.000 2.418 64 E HA -0.212 nan 4.350 nan 0.000 0.197 64 E C 2.087 178.676 176.600 -0.018 0.000 1.026 64 E CA 2.698 59.076 56.400 -0.035 0.000 0.862 64 E CB -0.270 29.421 29.700 -0.016 0.000 0.799 64 E HN 0.716 9.046 8.360 -0.051 0.000 0.518 65 K N -1.206 119.173 120.400 -0.034 0.000 2.360 65 K HA -0.279 nan 4.320 nan 0.000 0.201 65 K C 0.661 177.268 176.600 0.011 0.000 1.046 65 K CA 2.309 58.588 56.287 -0.014 0.000 0.945 65 K CB -0.262 32.154 32.500 -0.140 0.000 0.750 65 K HN -0.581 7.580 8.250 -0.063 0.052 0.464 66 D N -3.485 116.902 120.400 -0.022 0.000 2.339 66 D HA 0.074 nan 4.640 nan 0.000 0.217 66 D C -0.155 176.093 176.300 -0.087 0.000 1.050 66 D CA -0.209 53.776 54.000 -0.024 0.000 0.856 66 D CB 0.361 41.140 40.800 -0.034 0.000 0.922 66 D HN -0.790 7.509 8.370 -0.038 0.048 0.518 67 A N -0.918 121.835 122.820 -0.111 0.000 2.466 67 A HA -0.080 nan 4.320 nan 0.000 0.238 67 A C 0.741 178.256 177.584 -0.115 0.000 1.074 67 A CA 0.572 52.469 52.037 -0.234 0.000 0.774 67 A CB 0.733 19.644 19.000 -0.147 0.000 1.015 67 A HN -0.321 7.603 8.150 -0.062 0.189 0.498 68 F N 0.847 120.838 119.950 0.067 0.000 2.161 68 F HA -0.342 nan 4.527 nan 0.000 0.300 68 F C 1.468 177.327 175.800 0.098 0.000 1.089 68 F CA 2.347 60.405 58.000 0.097 0.000 1.282 68 F CB -0.466 38.603 39.000 0.115 0.000 1.010 68 F HN 0.582 8.848 8.300 -0.656 -0.359 0.485 69 G N -4.650 104.258 108.800 0.181 0.000 2.985 69 G HA2 -0.073 nan 3.960 nan 0.000 0.209 69 G HA3 -0.073 nan 3.960 nan 0.000 0.209 69 G C -0.735 174.281 174.900 0.193 0.000 1.165 69 G CA -0.206 44.962 45.100 0.114 0.000 0.776 69 G HN 0.304 8.655 8.290 0.102 0.000 0.541 70 N N 0.429 119.235 118.700 0.176 0.000 2.516 70 N HA 0.074 nan 4.740 nan 0.000 0.197 70 N C -0.580 175.056 175.510 0.209 0.000 1.064 70 N CA -0.091 53.093 53.050 0.223 0.000 0.866 70 N CB 1.872 40.471 38.487 0.185 0.000 1.255 70 N HN -0.358 7.910 8.380 0.137 0.194 0.447 71 A N 1.800 124.729 122.820 0.181 0.000 2.566 71 A HA -0.165 nan 4.320 nan 0.000 0.245 71 A C -0.422 177.277 177.584 0.191 0.000 1.056 71 A CA 1.266 53.405 52.037 0.170 0.000 0.757 71 A CB -0.402 18.703 19.000 0.175 0.000 0.979 71 A HN 0.109 8.359 8.150 0.167 0.000 0.508 72 N N 1.329 120.126 118.700 0.162 0.000 2.714 72 N HA -0.324 nan 4.740 nan 0.000 0.252 72 N C -1.260 174.362 175.510 0.186 0.000 1.014 72 N CA 1.602 54.743 53.050 0.152 0.000 0.735 72 N CB -1.723 36.840 38.487 0.128 0.000 0.924 72 N HN 0.742 9.208 8.380 0.144 0.000 0.540 73 S N -3.026 112.792 115.700 0.195 0.000 4.257 73 S HA 0.041 nan 4.470 nan 0.000 0.208 73 S C -1.124 173.561 174.600 0.142 0.000 1.152 73 S CA 0.678 58.999 58.200 0.201 0.000 1.110 73 S CB 2.041 65.397 63.200 0.259 0.000 1.434 73 S HN -0.483 7.940 8.310 0.194 0.004 0.509 74 A N 2.555 125.471 122.820 0.161 0.000 2.498 74 A HA -0.064 nan 4.320 nan 0.000 0.239 74 A C -1.514 176.106 177.584 0.060 0.000 1.068 74 A CA 0.866 52.959 52.037 0.093 0.000 0.766 74 A CB 0.349 19.488 19.000 0.233 0.000 1.003 74 A HN -0.190 7.974 8.150 0.208 0.110 0.497 75 R N 2.115 122.496 120.500 -0.198 0.000 2.733 75 R HA 0.127 nan 4.340 nan 0.000 0.272 75 R C -0.877 175.149 176.300 -0.456 0.000 1.029 75 R CA -1.188 54.781 56.100 -0.219 0.000 0.888 75 R CB 1.484 31.751 30.300 -0.056 0.000 1.251 75 R HN -0.014 8.090 8.270 -0.278 0.000 0.464 76 G N -2.884 105.722 108.800 -0.323 0.000 2.192 76 G HA2 -0.218 nan 3.960 nan 0.000 0.193 76 G HA3 -0.218 nan 3.960 nan 0.000 0.193 76 G C 0.054 174.814 174.900 -0.233 0.000 0.999 76 G CA 0.017 44.955 45.100 -0.271 0.000 0.659 76 G HN 0.209 8.410 8.290 -0.148 0.000 0.503 77 F N 0.721 120.676 119.950 0.010 0.000 2.091 77 F HA -0.204 nan 4.527 nan 0.000 0.299 77 F C -0.848 174.956 175.800 0.006 0.000 1.103 77 F CA 4.120 62.126 58.000 0.011 0.000 1.228 77 F CB -2.397 36.612 39.000 0.015 0.000 0.984 77 F HN -0.054 7.925 8.300 -0.448 0.052 0.477 78 P HA -0.192 nan 4.420 nan 0.000 0.218 78 P C 1.040 178.373 177.300 0.054 0.000 1.149 78 P CA 3.023 66.182 63.100 0.099 0.000 0.817 78 P CB -0.647 31.099 31.700 0.076 0.000 0.785 79 V N -1.601 118.330 119.914 0.028 0.000 2.427 79 V HA -0.343 nan 4.120 nan 0.000 0.248 79 V C 2.011 178.107 176.094 0.004 0.000 1.051 79 V CA 4.046 66.347 62.300 0.002 0.000 1.048 79 V CB -0.883 30.926 31.823 -0.024 0.000 0.666 79 V HN -0.501 7.683 8.190 0.022 0.019 0.456 80 I N -0.540 120.041 120.570 0.018 0.000 2.252 80 I HA -0.483 nan 4.170 nan 0.000 0.245 80 I C 1.808 177.945 176.117 0.033 0.000 1.102 80 I CA 2.163 63.478 61.300 0.025 0.000 1.385 80 I CB -1.850 36.184 38.000 0.058 0.000 1.064 80 I HN -0.598 7.539 8.210 0.024 0.087 0.414 81 D N -0.034 120.397 120.400 0.052 0.000 2.123 81 D HA -0.318 nan 4.640 nan 0.000 0.196 81 D C 2.693 179.004 176.300 0.019 0.000 0.992 81 D CA 3.816 57.840 54.000 0.039 0.000 0.833 81 D CB -0.603 40.225 40.800 0.046 0.000 0.954 81 D HN -0.281 8.062 8.370 0.074 0.071 0.455 82 R N -0.323 120.186 120.500 0.015 0.000 2.073 82 R HA -0.299 nan 4.340 nan 0.000 0.234 82 R C 2.606 178.902 176.300 -0.007 0.000 1.134 82 R CA 3.275 59.377 56.100 0.003 0.000 0.952 82 R CB 0.140 30.441 30.300 0.002 0.000 0.850 82 R HN -0.161 8.051 8.270 0.021 0.071 0.433 83 M N -2.713 116.880 119.600 -0.011 0.000 2.229 83 M HA -0.171 nan 4.480 nan 0.000 0.264 83 M C 1.793 178.076 176.300 -0.027 0.000 1.063 83 M CA 3.448 58.734 55.300 -0.024 0.000 1.114 83 M CB -0.284 32.296 32.600 -0.034 0.000 1.387 83 M HN -0.017 8.268 8.290 -0.007 0.000 0.420 84 K N 0.695 121.085 120.400 -0.016 0.000 2.057 84 K HA -0.296 nan 4.320 nan 0.000 0.206 84 K C 1.807 178.396 176.600 -0.018 0.000 1.050 84 K CA 2.421 58.697 56.287 -0.018 0.000 0.935 84 K CB -0.579 31.920 32.500 -0.002 0.000 0.715 84 K HN 0.139 8.297 8.250 -0.006 0.089 0.439 85 A N -1.692 121.122 122.820 -0.010 0.000 1.902 85 A HA -0.241 nan 4.320 nan 0.000 0.217 85 A C 1.976 179.550 177.584 -0.017 0.000 1.181 85 A CA 3.018 55.049 52.037 -0.010 0.000 0.623 85 A CB -1.052 17.945 19.000 -0.005 0.000 0.818 85 A HN -0.054 8.093 8.150 -0.006 0.000 0.443 86 A N -2.506 120.302 122.820 -0.020 0.000 1.902 86 A HA -0.248 nan 4.320 nan 0.000 0.217 86 A C 1.988 179.551 177.584 -0.034 0.000 1.181 86 A CA 3.119 55.141 52.037 -0.025 0.000 0.623 86 A CB -0.420 18.564 19.000 -0.027 0.000 0.818 86 A HN -0.389 7.750 8.150 -0.019 0.000 0.443 87 V N -3.544 116.343 119.914 -0.045 0.000 2.719 87 V HA -0.218 nan 4.120 nan 0.000 0.252 87 V C 1.599 177.662 176.094 -0.052 0.000 1.065 87 V CA 3.099 65.362 62.300 -0.061 0.000 1.086 87 V CB -0.814 30.951 31.823 -0.096 0.000 0.700 87 V HN 0.124 8.215 8.190 -0.043 0.073 0.467 88 E N 1.259 121.437 120.200 -0.037 0.000 2.106 88 E HA -0.268 nan 4.350 nan 0.000 0.192 88 E C 2.031 178.618 176.600 -0.022 0.000 0.984 88 E CA 2.507 58.891 56.400 -0.026 0.000 0.806 88 E CB -0.673 29.017 29.700 -0.016 0.000 0.750 88 E HN 0.324 8.578 8.360 -0.033 0.086 0.458 89 S N -1.323 114.364 115.700 -0.021 0.000 2.382 89 S HA -0.209 nan 4.470 nan 0.000 0.228 89 S C 1.358 175.946 174.600 -0.019 0.000 1.027 89 S CA 2.145 60.334 58.200 -0.017 0.000 0.991 89 S CB 0.323 63.514 63.200 -0.016 0.000 0.823 89 S HN -0.213 8.076 8.310 -0.022 0.008 0.469 90 A N -0.141 122.663 122.820 -0.027 0.000 1.935 90 A HA -0.040 nan 4.320 nan 0.000 0.214 90 A C -0.384 177.184 177.584 -0.028 0.000 1.178 90 A CA 1.531 53.552 52.037 -0.028 0.000 0.640 90 A CB 1.215 20.194 19.000 -0.035 0.000 0.825 90 A HN -0.548 7.491 8.150 -0.032 0.092 0.447 91 c N -1.241 117.338 118.600 -0.035 0.000 3.328 91 c HA 0.442 nan 4.570 nan 0.000 0.230 91 c C -2.858 171.218 174.090 -0.023 0.000 1.232 91 c CA -2.682 53.629 56.329 -0.030 0.000 1.431 91 c CB -1.037 41.442 42.510 -0.051 0.000 1.818 91 c HN 0.132 8.231 8.230 -0.041 0.106 0.484 92 P HA -0.162 nan 4.420 nan 0.000 0.263 92 P C -0.733 176.570 177.300 0.005 0.000 1.175 92 P CA 1.077 64.174 63.100 -0.005 0.000 0.761 92 P CB 0.163 31.863 31.700 -0.001 0.000 0.794 93 R N 0.208 120.713 120.500 0.008 0.000 3.610 93 R HA -0.433 nan 4.340 nan 0.000 0.274 93 R C -0.140 176.186 176.300 0.043 0.000 1.123 93 R CA 1.645 57.760 56.100 0.023 0.000 0.747 93 R CB -2.789 27.527 30.300 0.026 0.000 1.149 93 R HN 0.703 9.335 8.270 0.003 -0.361 0.471 94 T N -6.466 108.108 114.554 0.034 0.000 2.987 94 T HA 0.158 nan 4.350 nan 0.000 0.248 94 T C -0.176 174.593 174.700 0.114 0.000 0.997 94 T CA 0.610 62.763 62.100 0.087 0.000 1.013 94 T CB 2.109 71.031 68.868 0.090 0.000 1.077 94 T HN -0.527 7.695 8.240 0.002 0.019 0.483 95 V N 4.808 124.689 119.914 -0.055 0.000 2.383 95 V HA 0.330 nan 4.120 nan 0.000 0.275 95 V C -1.237 174.850 176.094 -0.011 0.000 1.036 95 V CA -1.748 60.454 62.300 -0.162 0.000 0.889 95 V CB -0.387 31.170 31.823 -0.443 0.000 0.985 95 V HN -0.115 8.029 8.190 -0.078 0.000 0.459 96 S N 4.907 120.659 115.700 0.086 0.000 2.593 96 S HA 0.245 nan 4.470 nan 0.000 0.269 96 S C 1.388 176.008 174.600 0.033 0.000 1.334 96 S CA -0.339 57.900 58.200 0.064 0.000 1.015 96 S CB 1.468 64.717 63.200 0.081 0.000 0.912 96 S HN -0.304 8.127 8.310 0.201 0.000 0.541 97 c N 1.812 120.432 118.600 0.032 0.000 2.435 97 c HA -0.198 nan 4.570 nan 0.000 0.279 97 c C 1.878 175.995 174.090 0.045 0.000 1.321 97 c CA 3.756 60.104 56.329 0.032 0.000 1.752 97 c CB -2.032 40.502 42.510 0.041 0.000 1.959 97 c HN 0.577 9.170 8.230 0.035 -0.342 0.500 98 A N 0.283 123.134 122.820 0.053 0.000 1.883 98 A HA -0.365 nan 4.320 nan 0.000 0.217 98 A C 1.733 179.354 177.584 0.062 0.000 1.186 98 A CA 3.636 55.714 52.037 0.067 0.000 0.624 98 A CB -0.953 18.078 19.000 0.053 0.000 0.822 98 A HN 0.450 8.896 8.150 0.048 -0.267 0.444 99 D N -0.666 119.766 120.400 0.052 0.000 2.117 99 D HA -0.189 nan 4.640 nan 0.000 0.198 99 D C 2.105 178.409 176.300 0.007 0.000 0.982 99 D CA 3.098 57.133 54.000 0.058 0.000 0.828 99 D CB -0.205 40.704 40.800 0.182 0.000 0.967 99 D HN -0.666 7.739 8.370 0.059 0.000 0.464 100 L N 0.288 121.505 121.223 -0.011 0.000 2.042 100 L HA -0.276 nan 4.340 nan 0.000 0.210 100 L C 1.802 178.637 176.870 -0.058 0.000 1.076 100 L CA 3.360 58.171 54.840 -0.048 0.000 0.749 100 L CB -0.028 42.008 42.059 -0.038 0.000 0.893 100 L HN -0.119 8.115 8.230 0.005 0.000 0.432 101 L N -2.841 118.367 121.223 -0.025 0.000 2.156 101 L HA -0.263 nan 4.340 nan 0.000 0.208 101 L C 1.683 178.447 176.870 -0.177 0.000 1.095 101 L CA 3.131 57.954 54.840 -0.028 0.000 0.770 101 L CB -0.694 41.413 42.059 0.079 0.000 0.914 101 L HN -0.014 8.222 8.230 0.009 0.000 0.439 102 T N 3.216 117.631 114.554 -0.231 0.000 2.701 102 T HA -0.348 nan 4.350 nan 0.000 0.263 102 T C 2.080 176.548 174.700 -0.387 0.000 1.040 102 T CA 5.300 67.085 62.100 -0.524 0.000 1.147 102 T CB -0.370 68.367 68.868 -0.219 0.000 0.865 102 T HN -0.631 7.451 8.240 -0.088 0.105 0.426 103 I N 1.078 121.509 120.570 -0.231 0.000 2.208 103 I HA -0.559 nan 4.170 nan 0.000 0.245 103 I C 1.341 177.319 176.117 -0.232 0.000 1.097 103 I CA 4.200 65.364 61.300 -0.227 0.000 1.363 103 I CB -0.624 37.290 38.000 -0.144 0.000 1.051 103 I HN 0.345 8.460 8.210 -0.159 0.000 0.413 104 A N -1.080 121.631 122.820 -0.181 0.000 1.908 104 A HA -0.375 nan 4.320 nan 0.000 0.218 104 A C 1.768 179.264 177.584 -0.148 0.000 1.181 104 A CA 3.294 55.246 52.037 -0.142 0.000 0.627 104 A CB -1.145 17.796 19.000 -0.098 0.000 0.818 104 A HN 0.189 8.242 8.150 -0.162 0.000 0.445 105 A N -1.733 120.973 122.820 -0.189 0.000 1.902 105 A HA -0.346 nan 4.320 nan 0.000 0.217 105 A C 2.011 179.512 177.584 -0.139 0.000 1.181 105 A CA 3.053 55.020 52.037 -0.116 0.000 0.623 105 A CB -1.055 17.856 19.000 -0.150 0.000 0.818 105 A HN -0.195 7.802 8.150 -0.256 0.000 0.443 106 Q N -1.220 118.395 119.800 -0.309 0.000 2.050 106 Q HA -0.355 nan 4.340 nan 0.000 0.202 106 Q C 2.357 178.122 176.000 -0.392 0.000 0.980 106 Q CA 3.253 58.734 55.803 -0.536 0.000 0.840 106 Q CB -0.265 27.907 28.738 -0.943 0.000 0.898 106 Q HN -0.365 7.688 8.270 -0.362 0.000 0.424 107 Q N -1.298 118.329 119.800 -0.288 0.000 2.124 107 Q HA -0.267 nan 4.340 nan 0.000 0.202 107 Q C 2.743 178.673 176.000 -0.116 0.000 0.977 107 Q CA 2.740 58.428 55.803 -0.192 0.000 0.850 107 Q CB -0.407 28.241 28.738 -0.150 0.000 0.901 107 Q HN 0.249 8.349 8.270 -0.283 0.000 0.429 108 S N 0.943 116.597 115.700 -0.077 0.000 2.382 108 S HA -0.346 nan 4.470 nan 0.000 0.228 108 S C 2.362 176.985 174.600 0.039 0.000 1.027 108 S CA 3.536 61.743 58.200 0.012 0.000 0.991 108 S CB -0.143 63.087 63.200 0.051 0.000 0.823 108 S HN 0.112 8.364 8.310 -0.096 0.000 0.469 109 V N 1.695 121.562 119.914 -0.078 0.000 2.307 109 V HA -0.410 nan 4.120 nan 0.000 0.245 109 V C 1.929 177.817 176.094 -0.344 0.000 1.045 109 V CA 4.794 66.881 62.300 -0.355 0.000 1.024 109 V CB -0.679 30.855 31.823 -0.482 0.000 0.651 109 V HN -0.388 7.653 8.190 -0.086 0.098 0.449 110 T N 2.507 116.936 114.554 -0.209 0.000 2.708 110 T HA -0.306 nan 4.350 nan 0.000 0.266 110 T C 2.356 177.013 174.700 -0.072 0.000 1.037 110 T CA 4.902 66.917 62.100 -0.142 0.000 1.146 110 T CB -0.458 68.342 68.868 -0.113 0.000 0.865 110 T HN -0.526 7.599 8.240 -0.192 0.000 0.435 111 L N 0.236 121.433 121.223 -0.044 0.000 2.265 111 L HA -0.236 nan 4.340 nan 0.000 0.215 111 L C 1.195 178.096 176.870 0.051 0.000 1.117 111 L CA 2.573 57.415 54.840 0.004 0.000 0.782 111 L CB -0.373 41.691 42.059 0.008 0.000 0.914 111 L HN 0.336 8.529 8.230 -0.062 0.000 0.441 112 A N -3.829 119.037 122.820 0.077 0.000 2.307 112 A HA 0.208 nan 4.320 nan 0.000 0.218 112 A C -0.184 177.470 177.584 0.118 0.000 1.228 112 A CA -0.376 51.759 52.037 0.163 0.000 0.857 112 A CB 0.201 19.410 19.000 0.349 0.000 0.897 112 A HN -0.356 7.678 8.150 0.032 0.136 0.495 113 G N -3.612 105.222 108.800 0.056 0.000 2.144 113 G HA2 -0.287 nan 3.960 nan 0.000 0.218 113 G HA3 -0.287 nan 3.960 nan 0.000 0.218 113 G C -0.084 174.857 174.900 0.068 0.000 0.988 113 G CA -0.400 44.749 45.100 0.082 0.000 0.659 113 G HN 0.084 8.157 8.290 0.016 0.227 0.522 114 G N 1.760 110.468 108.800 -0.154 0.000 2.525 114 G HA2 0.272 nan 3.960 nan 0.000 0.287 114 G HA3 0.272 nan 3.960 nan 0.000 0.287 114 G C -2.150 172.388 174.900 -0.602 0.000 1.350 114 G CA -2.065 42.694 45.100 -0.569 0.000 1.039 114 G HN 0.151 8.233 8.290 -0.194 0.091 0.513 115 P HA 0.022 nan 4.420 nan 0.000 0.271 115 P C -1.495 175.811 177.300 0.010 0.000 1.244 115 P CA -0.181 62.692 63.100 -0.379 0.000 0.793 115 P CB 1.269 32.683 31.700 -0.476 0.000 0.984 116 S N -0.419 115.365 115.700 0.140 0.000 2.561 116 S HA 0.371 nan 4.470 nan 0.000 0.303 116 S C -1.766 173.041 174.600 0.345 0.000 1.110 116 S CA -1.254 57.060 58.200 0.191 0.000 1.034 116 S CB 0.773 64.011 63.200 0.063 0.000 1.010 116 S HN 0.149 8.519 8.310 0.100 0.000 0.482 117 W N 2.716 123.964 121.300 -0.085 0.000 3.005 117 W HA 0.181 nan 4.660 nan 0.000 0.343 117 W C -2.627 173.862 176.519 -0.051 0.000 1.243 117 W CA -0.875 56.434 57.345 -0.061 0.000 1.186 117 W CB 1.692 31.113 29.460 -0.065 0.000 1.453 117 W HN -0.282 7.919 8.180 0.036 0.000 0.575 118 R N 1.878 122.386 120.500 0.014 0.000 2.229 118 R HA 0.228 nan 4.340 nan 0.000 0.332 118 R C -0.938 175.301 176.300 -0.101 0.000 0.989 118 R CA -0.746 55.280 56.100 -0.122 0.000 0.842 118 R CB 0.426 30.719 30.300 -0.011 0.000 1.119 118 R HN 0.114 8.513 8.270 0.215 0.000 0.456 119 V N 1.418 121.165 119.914 -0.279 0.000 2.686 119 V HA 0.268 nan 4.120 nan 0.000 0.295 119 V C -1.405 174.681 176.094 -0.014 0.000 1.055 119 V CA -4.251 57.985 62.300 -0.107 0.000 1.050 119 V CB -0.829 30.873 31.823 -0.201 0.000 0.984 119 V HN 0.368 8.319 8.190 -0.399 0.000 0.482 120 P HA 0.113 nan 4.420 nan 0.000 0.268 120 P C -1.721 175.557 177.300 -0.036 0.000 1.205 120 P CA 0.570 63.676 63.100 0.010 0.000 0.771 120 P CB 0.386 32.099 31.700 0.023 0.000 0.858 121 L N 0.604 121.773 121.223 -0.090 0.000 2.250 121 L HA 0.472 nan 4.340 nan 0.000 0.252 121 L C -0.005 176.542 176.870 -0.538 0.000 1.054 121 L CA -0.930 53.791 54.840 -0.198 0.000 0.856 121 L CB 3.535 45.531 42.059 -0.104 0.000 1.443 121 L HN 0.257 8.364 8.230 -0.073 0.079 0.427 122 G N -3.493 104.775 108.800 -0.887 0.000 2.154 122 G HA2 -0.328 nan 3.960 nan 0.000 0.186 122 G HA3 -0.328 nan 3.960 nan 0.000 0.186 122 G C -1.107 173.423 174.900 -0.618 0.000 1.000 122 G CA -0.374 43.828 45.100 -1.497 0.000 0.664 122 G HN 0.252 8.645 8.290 -0.570 -0.445 0.513 123 R N -0.667 119.648 120.500 -0.308 0.000 2.637 123 R HA 0.301 nan 4.340 nan 0.000 0.269 123 R C -0.332 175.920 176.300 -0.081 0.000 1.089 123 R CA 0.133 56.149 56.100 -0.140 0.000 1.177 123 R CB 0.827 31.095 30.300 -0.054 0.000 1.091 123 R HN -0.381 8.117 8.270 -0.267 -0.388 0.540 124 R N -1.081 119.398 120.500 -0.035 0.000 2.888 124 R HA 0.603 nan 4.340 nan 0.000 0.266 124 R C -1.040 175.271 176.300 0.019 0.000 1.020 124 R CA -1.171 54.931 56.100 0.003 0.000 0.963 124 R CB 3.470 33.775 30.300 0.008 0.000 1.197 124 R HN 0.385 8.634 8.270 -0.036 0.000 0.481 125 D N 1.045 121.463 120.400 0.029 0.000 2.256 125 D HA 0.340 nan 4.640 nan 0.000 0.250 125 D C 0.448 176.763 176.300 0.026 0.000 1.093 125 D CA -0.471 53.547 54.000 0.030 0.000 0.882 125 D CB 1.175 41.994 40.800 0.030 0.000 1.185 125 D HN 0.325 8.715 8.370 0.033 0.000 0.437 126 S N 2.417 118.133 115.700 0.026 0.000 2.589 126 S HA 0.046 nan 4.470 nan 0.000 0.265 126 S C 0.741 175.320 174.600 -0.033 0.000 1.342 126 S CA 0.615 58.829 58.200 0.024 0.000 1.005 126 S CB 1.182 64.422 63.200 0.066 0.000 0.909 126 S HN 0.374 8.702 8.310 0.030 0.000 0.555 127 L N -1.507 119.687 121.223 -0.048 0.000 2.554 127 L HA 0.106 nan 4.340 nan 0.000 0.225 127 L C -1.145 175.599 176.870 -0.210 0.000 1.104 127 L CA 0.575 55.380 54.840 -0.058 0.000 0.866 127 L CB 0.170 42.231 42.059 0.004 0.000 1.047 127 L HN 0.302 8.530 8.230 -0.003 0.000 0.468 128 Q N -5.812 113.666 119.800 -0.538 0.000 2.565 128 Q HA 0.118 nan 4.340 nan 0.000 0.294 128 Q C -1.948 173.074 176.000 -1.629 0.000 1.005 128 Q CA -2.330 52.659 55.803 -1.357 0.000 0.771 128 Q CB 3.170 31.296 28.738 -1.019 0.000 1.486 128 Q HN -0.995 6.982 8.270 -0.418 0.042 0.422 129 A N -0.714 120.958 122.820 -1.913 0.000 2.312 129 A HA 0.369 nan 4.320 nan 0.000 0.328 129 A C -0.637 176.278 177.584 -1.114 0.000 1.158 129 A CA -1.055 50.298 52.037 -1.139 0.000 0.821 129 A CB 1.798 20.477 19.000 -0.536 0.000 1.170 129 A HN 0.202 6.619 8.150 -2.888 0.000 0.490 130 F N 1.257 121.101 119.950 -0.177 0.000 2.371 130 F HA 0.251 nan 4.527 nan 0.000 0.343 130 F C -0.195 175.553 175.800 -0.086 0.000 1.150 130 F CA -1.438 56.492 58.000 -0.116 0.000 1.220 130 F CB -0.792 38.145 39.000 -0.107 0.000 1.475 130 F HN 0.220 8.701 8.300 -0.251 -0.331 0.521 131 L N 3.345 124.580 121.223 0.019 0.000 2.012 131 L HA -0.372 nan 4.340 nan 0.000 0.210 131 L C 0.664 177.514 176.870 -0.034 0.000 1.073 131 L CA 3.980 58.805 54.840 -0.025 0.000 0.748 131 L CB -0.028 42.003 42.059 -0.046 0.000 0.891 131 L HN -0.016 8.202 8.230 -0.020 0.000 0.431 132 D N -1.157 119.247 120.400 0.005 0.000 2.117 132 D HA -0.301 nan 4.640 nan 0.000 0.197 132 D C 2.437 178.748 176.300 0.017 0.000 0.987 132 D CA 3.694 57.698 54.000 0.006 0.000 0.829 132 D CB -0.698 40.123 40.800 0.035 0.000 0.961 132 D HN 0.207 8.597 8.370 0.033 0.000 0.460 133 L N -0.265 120.983 121.223 0.042 0.000 2.046 133 L HA -0.270 nan 4.340 nan 0.000 0.208 133 L C 1.278 178.150 176.870 0.003 0.000 1.077 133 L CA 2.372 57.221 54.840 0.016 0.000 0.747 133 L CB -0.381 41.675 42.059 -0.004 0.000 0.896 133 L HN -0.419 7.861 8.230 0.083 0.000 0.432 134 A N -1.126 121.694 122.820 0.001 0.000 1.902 134 A HA -0.409 nan 4.320 nan 0.000 0.217 134 A C 2.055 179.607 177.584 -0.054 0.000 1.181 134 A CA 3.389 55.398 52.037 -0.046 0.000 0.623 134 A CB -0.922 18.040 19.000 -0.063 0.000 0.818 134 A HN 0.369 8.466 8.150 0.030 0.071 0.443 135 N N -1.345 117.316 118.700 -0.064 0.000 2.223 135 N HA -0.268 nan 4.740 nan 0.000 0.185 135 N C 1.817 177.395 175.510 0.113 0.000 1.016 135 N CA 2.535 55.573 53.050 -0.019 0.000 0.863 135 N CB -0.311 38.107 38.487 -0.115 0.000 0.983 135 N HN 0.047 8.309 8.380 -0.080 0.070 0.429 136 A N -1.539 121.329 122.820 0.080 0.000 2.021 136 A HA -0.010 nan 4.320 nan 0.000 0.216 136 A C 1.047 178.699 177.584 0.113 0.000 1.163 136 A CA 1.900 54.002 52.037 0.109 0.000 0.676 136 A CB 0.291 19.334 19.000 0.071 0.000 0.818 136 A HN -0.307 7.748 8.150 0.041 0.119 0.453 137 N N -3.469 115.273 118.700 0.070 0.000 2.415 137 N HA 0.132 nan 4.740 nan 0.000 0.174 137 N C -0.175 175.410 175.510 0.124 0.000 1.048 137 N CA 0.551 53.654 53.050 0.088 0.000 0.895 137 N CB 1.323 39.828 38.487 0.030 0.000 1.036 137 N HN -0.257 8.053 8.380 0.036 0.092 0.449 138 L N 1.248 122.470 121.223 -0.001 0.000 2.360 138 L HA 0.137 nan 4.340 nan 0.000 0.276 138 L C -1.504 175.302 176.870 -0.106 0.000 1.121 138 L CA -1.315 53.432 54.840 -0.154 0.000 0.845 138 L CB -0.445 41.396 42.059 -0.364 0.000 1.143 138 L HN -0.701 7.520 8.230 -0.016 0.000 0.452 139 P HA 0.111 nan 4.420 nan 0.000 0.274 139 P C -2.050 174.774 177.300 -0.793 0.000 1.237 139 P CA -0.800 62.032 63.100 -0.446 0.000 0.793 139 P CB 1.043 32.711 31.700 -0.053 0.000 0.977 140 A N -0.685 121.114 122.820 -1.702 0.000 2.356 140 A HA 0.482 nan 4.320 nan 0.000 0.323 140 A C -0.294 176.733 177.584 -0.928 0.000 1.119 140 A CA -2.712 48.622 52.037 -1.173 0.000 0.790 140 A CB 0.886 19.062 19.000 -1.373 0.000 1.273 140 A HN 0.063 6.128 8.150 -3.474 0.000 0.452 141 P HA -0.144 nan 4.420 nan 0.000 0.219 141 P C -0.083 177.239 177.300 0.037 0.000 1.146 141 P CA 2.280 65.307 63.100 -0.121 0.000 0.808 141 P CB 0.053 31.751 31.700 -0.004 0.000 0.779 142 F N -7.395 112.663 119.950 0.180 0.000 2.773 142 F HA 0.114 nan 4.527 nan 0.000 0.304 142 F C -1.073 174.972 175.800 0.409 0.000 1.129 142 F CA -1.731 56.432 58.000 0.271 0.000 1.378 142 F CB -0.793 38.345 39.000 0.230 0.000 1.095 142 F HN -0.513 7.356 8.300 -0.658 0.037 0.565 143 F N 2.133 122.019 119.950 -0.107 0.000 2.459 143 F HA -0.070 nan 4.527 nan 0.000 0.346 143 F C 0.230 176.098 175.800 0.113 0.000 1.128 143 F CA -1.011 57.000 58.000 0.019 0.000 1.268 143 F CB 0.477 39.459 39.000 -0.030 0.000 1.161 143 F HN -0.648 7.591 8.300 0.009 0.067 0.583 144 T N -2.868 111.834 114.554 0.246 0.000 2.788 144 T HA 0.233 nan 4.350 nan 0.000 0.280 144 T C 0.786 175.586 174.700 0.166 0.000 0.984 144 T CA -2.040 60.170 62.100 0.184 0.000 0.972 144 T CB 2.230 71.167 68.868 0.116 0.000 1.039 144 T HN 0.231 8.895 8.240 0.144 -0.337 0.530 145 L N 0.316 121.615 121.223 0.128 0.000 2.012 145 L HA -0.039 nan 4.340 nan 0.000 0.210 145 L C -0.898 176.023 176.870 0.085 0.000 1.073 145 L CA 4.360 59.261 54.840 0.102 0.000 0.748 145 L CB -2.360 39.742 42.059 0.072 0.000 0.891 145 L HN 0.562 8.864 8.230 0.121 0.000 0.431 146 P HA -0.230 nan 4.420 nan 0.000 0.218 146 P C 2.032 179.363 177.300 0.053 0.000 1.149 146 P CA 3.025 66.153 63.100 0.048 0.000 0.817 146 P CB -0.543 31.174 31.700 0.029 0.000 0.785 147 Q N -1.671 118.152 119.800 0.039 0.000 2.083 147 Q HA -0.278 nan 4.340 nan 0.000 0.198 147 Q C 2.683 178.799 176.000 0.193 0.000 0.969 147 Q CA 3.317 59.108 55.803 -0.020 0.000 0.838 147 Q CB -0.171 28.396 28.738 -0.284 0.000 0.900 147 Q HN -0.643 7.554 8.270 0.046 0.102 0.436 148 L N -0.037 121.361 121.223 0.293 0.000 2.017 148 L HA -0.437 nan 4.340 nan 0.000 0.208 148 L C 1.896 178.942 176.870 0.293 0.000 1.073 148 L CA 3.440 58.498 54.840 0.363 0.000 0.745 148 L CB -0.463 41.720 42.059 0.207 0.000 0.894 148 L HN 0.235 8.529 8.230 0.231 0.074 0.432 149 K N -1.360 119.134 120.400 0.156 0.000 2.063 149 K HA -0.433 nan 4.320 nan 0.000 0.208 149 K C 2.405 179.120 176.600 0.191 0.000 1.048 149 K CA 3.754 60.117 56.287 0.126 0.000 0.928 149 K CB -0.492 32.050 32.500 0.070 0.000 0.713 149 K HN 0.231 8.557 8.250 0.126 0.000 0.442 150 D N -0.860 119.639 120.400 0.166 0.000 2.117 150 D HA -0.173 nan 4.640 nan 0.000 0.197 150 D C 2.345 178.765 176.300 0.200 0.000 0.987 150 D CA 3.110 57.194 54.000 0.140 0.000 0.829 150 D CB -0.150 40.698 40.800 0.081 0.000 0.961 150 D HN -0.278 7.995 8.370 0.140 0.181 0.460 151 S N 0.353 116.242 115.700 0.316 0.000 2.368 151 S HA -0.251 nan 4.470 nan 0.000 0.225 151 S C 2.355 177.188 174.600 0.389 0.000 1.030 151 S CA 3.208 61.647 58.200 0.397 0.000 0.999 151 S CB -0.040 63.517 63.200 0.595 0.000 0.844 151 S HN -0.223 8.208 8.310 0.336 0.080 0.459 152 F N 0.634 120.729 119.950 0.241 0.000 2.206 152 F HA -0.197 nan 4.527 nan 0.000 0.298 152 F C 1.703 177.510 175.800 0.012 0.000 1.090 152 F CA 3.055 61.163 58.000 0.180 0.000 1.323 152 F CB -0.071 39.067 39.000 0.230 0.000 1.028 152 F HN -0.175 8.597 8.300 0.787 0.000 0.492 153 R N -0.535 120.101 120.500 0.225 0.000 2.096 153 R HA -0.434 nan 4.340 nan 0.000 0.235 153 R C 2.734 179.040 176.300 0.011 0.000 1.127 153 R CA 3.402 59.562 56.100 0.099 0.000 0.968 153 R CB -0.416 29.941 30.300 0.095 0.000 0.861 153 R HN -0.009 8.435 8.270 0.291 0.000 0.440 154 N N -0.208 118.497 118.700 0.008 0.000 2.192 154 N HA -0.230 nan 4.740 nan 0.000 0.188 154 N C 1.050 176.478 175.510 -0.137 0.000 1.013 154 N CA 2.966 55.989 53.050 -0.045 0.000 0.863 154 N CB 0.382 38.861 38.487 -0.013 0.000 0.990 154 N HN -0.108 8.304 8.380 0.068 0.009 0.430 155 V N -8.854 110.907 119.914 -0.255 0.000 3.542 155 V HA 0.413 nan 4.120 nan 0.000 0.296 155 V C 0.080 176.015 176.094 -0.266 0.000 1.364 155 V CA -1.731 60.349 62.300 -0.367 0.000 1.118 155 V CB -0.736 30.619 31.823 -0.780 0.000 0.972 155 V HN -0.646 7.257 8.190 -0.261 0.131 0.430 156 G N -0.708 107.999 108.800 -0.155 0.000 2.176 156 G HA2 -0.260 nan 3.960 nan 0.000 0.232 156 G HA3 -0.260 nan 3.960 nan 0.000 0.232 156 G C -0.280 174.596 174.900 -0.039 0.000 0.986 156 G CA 0.093 45.140 45.100 -0.088 0.000 0.643 156 G HN -0.085 7.919 8.290 -0.123 0.212 0.522 157 L N 2.363 123.572 121.223 -0.023 0.000 2.399 157 L HA -0.030 nan 4.340 nan 0.000 0.257 157 L C -1.184 175.789 176.870 0.171 0.000 1.236 157 L CA -0.617 54.288 54.840 0.109 0.000 1.144 157 L CB -1.549 40.643 42.059 0.221 0.000 1.379 157 L HN -0.159 7.965 8.230 -0.098 0.047 0.414 158 N N 0.927 119.685 118.700 0.098 0.000 2.383 158 N HA -0.052 nan 4.740 nan 0.000 0.192 158 N C -0.049 175.508 175.510 0.080 0.000 1.141 158 N CA 0.066 53.168 53.050 0.087 0.000 0.851 158 N CB 0.141 38.657 38.487 0.050 0.000 0.976 158 N HN -0.308 8.077 8.380 0.064 0.033 0.465 159 R N 0.200 120.754 120.500 0.091 0.000 2.604 159 R HA 0.311 nan 4.340 nan 0.000 0.287 159 R C 0.392 176.732 176.300 0.067 0.000 0.970 159 R CA -1.177 54.965 56.100 0.069 0.000 0.946 159 R CB 1.689 32.030 30.300 0.068 0.000 1.127 159 R HN -0.485 8.086 8.270 0.115 -0.232 0.473 160 S N 3.866 119.591 115.700 0.041 0.000 2.399 160 S HA -0.372 nan 4.470 nan 0.000 0.231 160 S C 1.446 176.075 174.600 0.050 0.000 1.022 160 S CA 3.337 61.550 58.200 0.022 0.000 0.983 160 S CB -0.319 62.884 63.200 0.004 0.000 0.803 160 S HN 0.745 9.076 8.310 0.034 0.000 0.480 161 S N 0.488 116.239 115.700 0.086 0.000 2.399 161 S HA -0.273 nan 4.470 nan 0.000 0.231 161 S C 1.746 176.462 174.600 0.194 0.000 1.022 161 S CA 3.047 61.350 58.200 0.173 0.000 0.983 161 S CB -0.687 62.624 63.200 0.185 0.000 0.803 161 S HN 0.154 8.501 8.310 0.071 0.006 0.480 162 D N 3.152 123.640 120.400 0.147 0.000 2.092 162 D HA -0.266 nan 4.640 nan 0.000 0.193 162 D C 1.914 178.311 176.300 0.162 0.000 0.994 162 D CA 2.971 57.085 54.000 0.191 0.000 0.828 162 D CB -0.412 40.546 40.800 0.263 0.000 0.963 162 D HN -0.567 7.757 8.370 0.123 0.120 0.450 163 L N -0.414 120.774 121.223 -0.058 0.000 2.056 163 L HA -0.202 nan 4.340 nan 0.000 0.207 163 L C 1.811 178.628 176.870 -0.087 0.000 1.078 163 L CA 3.176 57.757 54.840 -0.430 0.000 0.749 163 L CB -0.038 41.694 42.059 -0.547 0.000 0.901 163 L HN -0.724 7.495 8.230 -0.020 0.000 0.433 164 V N -1.197 118.779 119.914 0.102 0.000 2.379 164 V HA -0.445 nan 4.120 nan 0.000 0.245 164 V C 1.938 178.360 176.094 0.547 0.000 1.044 164 V CA 4.458 66.940 62.300 0.304 0.000 1.036 164 V CB -1.484 30.480 31.823 0.235 0.000 0.664 164 V HN 0.115 8.355 8.190 0.084 0.000 0.453 165 A N -0.244 122.896 122.820 0.534 0.000 1.873 165 A HA -0.234 nan 4.320 nan 0.000 0.215 165 A C 2.405 180.292 177.584 0.505 0.000 1.186 165 A CA 3.422 55.778 52.037 0.531 0.000 0.616 165 A CB -0.655 18.520 19.000 0.292 0.000 0.823 165 A HN 0.296 8.584 8.150 0.421 0.115 0.442 166 L N -2.966 118.423 121.223 0.276 0.000 2.201 166 L HA -0.342 nan 4.340 nan 0.000 0.212 166 L C 2.549 179.434 176.870 0.025 0.000 1.105 166 L CA 2.498 57.444 54.840 0.176 0.000 0.775 166 L CB -0.465 41.682 42.059 0.146 0.000 0.913 166 L HN 0.005 8.375 8.230 0.233 0.000 0.440 167 S N 0.186 115.869 115.700 -0.029 0.000 2.474 167 S HA -0.188 nan 4.470 nan 0.000 0.235 167 S C 2.069 176.241 174.600 -0.714 0.000 0.997 167 S CA 3.579 61.588 58.200 -0.319 0.000 0.949 167 S CB -0.838 62.327 63.200 -0.058 0.000 0.766 167 S HN -0.131 8.128 8.310 0.093 0.106 0.517 168 G N -0.006 108.578 108.800 -0.360 0.000 2.586 168 G HA2 -0.155 nan 3.960 nan 0.000 0.215 168 G HA3 -0.155 nan 3.960 nan 0.000 0.215 168 G C 0.759 175.298 174.900 -0.603 0.000 1.128 168 G CA 0.899 45.597 45.100 -0.670 0.000 0.774 168 G HN -0.017 8.195 8.290 0.131 0.156 0.543 169 G N 0.461 109.050 108.800 -0.350 0.000 2.509 169 G HA2 -0.232 nan 3.960 nan 0.000 0.218 169 G HA3 -0.232 nan 3.960 nan 0.000 0.218 169 G C 0.524 175.287 174.900 -0.228 0.000 1.124 169 G CA 0.824 45.849 45.100 -0.126 0.000 0.776 169 G HN -0.329 7.613 8.290 -0.286 0.177 0.547 170 H N -0.601 118.076 119.070 -0.655 0.000 2.547 170 H HA 0.013 nan 4.556 nan 0.000 0.274 170 H C 0.180 175.305 175.328 -0.338 0.000 1.024 170 H CA -0.548 55.077 56.048 -0.705 0.000 1.155 170 H CB -0.456 28.803 29.762 -0.838 0.000 1.344 170 H HN -0.516 6.992 8.280 -1.018 0.161 0.598 171 T N -0.051 114.314 114.554 -0.316 0.000 3.113 171 T HA -0.026 nan 4.350 nan 0.000 0.263 171 T C -1.333 173.393 174.700 0.043 0.000 1.143 171 T CA 1.210 63.168 62.100 -0.238 0.000 1.090 171 T CB 0.461 68.950 68.868 -0.633 0.000 0.922 171 T HN -0.195 7.556 8.240 -0.503 0.187 0.521 172 F N -4.805 115.138 119.950 -0.013 0.000 2.923 172 F HA 0.553 nan 4.527 nan 0.000 0.323 172 F C -0.861 175.030 175.800 0.153 0.000 1.189 172 F CA -2.818 55.233 58.000 0.086 0.000 0.930 172 F CB 1.091 40.149 39.000 0.097 0.000 1.414 172 F HN -0.954 7.606 8.300 0.534 0.061 0.496 173 G N -1.219 107.661 108.800 0.133 0.000 2.712 173 G HA2 -0.350 nan 3.960 nan 0.000 0.683 173 G HA3 -0.350 nan 3.960 nan 0.000 0.683 173 G C -2.403 172.663 174.900 0.277 0.000 1.320 173 G CA -0.076 45.070 45.100 0.078 0.000 0.847 173 G HN -0.130 8.235 8.290 0.124 0.000 0.553 174 K N -0.337 120.194 120.400 0.218 0.000 2.295 174 K HA 0.792 nan 4.320 nan 0.000 0.239 174 K C -1.384 175.243 176.600 0.044 0.000 0.991 174 K CA -1.711 54.636 56.287 0.101 0.000 0.845 174 K CB 3.120 35.648 32.500 0.046 0.000 1.197 174 K HN 0.143 8.491 8.250 0.163 0.000 0.441 175 N N 1.000 119.601 118.700 -0.166 0.000 2.308 175 N HA 0.207 nan 4.740 nan 0.000 0.283 175 N C -2.305 173.192 175.510 -0.022 0.000 1.105 175 N CA -0.519 52.425 53.050 -0.177 0.000 0.840 175 N CB 3.177 41.204 38.487 -0.767 0.000 1.633 175 N HN 0.539 8.823 8.380 -0.160 0.000 0.476 176 Q N 2.952 122.853 119.800 0.168 0.000 2.340 176 Q HA 0.155 nan 4.340 nan 0.000 0.249 176 Q C 1.245 177.224 176.000 -0.034 0.000 0.957 176 Q CA 0.335 56.162 55.803 0.040 0.000 0.882 176 Q CB 1.587 30.298 28.738 -0.046 0.000 1.235 176 Q HN 0.156 8.667 8.270 0.402 0.000 0.439 177 c N 3.987 122.542 118.600 -0.075 0.000 2.403 177 c HA -0.397 nan 4.570 nan 0.000 0.277 177 c C 2.093 176.125 174.090 -0.097 0.000 1.248 177 c CA 3.896 60.185 56.329 -0.066 0.000 1.762 177 c CB -1.595 40.888 42.510 -0.045 0.000 2.014 177 c HN 0.838 9.028 8.230 -0.066 0.000 0.486 178 R N 1.231 121.593 120.500 -0.231 0.000 2.139 178 R HA -0.365 nan 4.340 nan 0.000 0.243 178 R C 2.356 178.506 176.300 -0.251 0.000 1.145 178 R CA 2.995 58.914 56.100 -0.301 0.000 0.976 178 R CB -1.032 28.972 30.300 -0.493 0.000 0.866 178 R HN 0.042 8.145 8.270 -0.254 0.014 0.449 179 F N -2.989 116.989 119.950 0.046 0.000 2.748 179 F HA -0.101 nan 4.527 nan 0.000 0.299 179 F C 0.050 175.890 175.800 0.066 0.000 1.154 179 F CA 1.715 59.759 58.000 0.074 0.000 1.446 179 F CB 0.135 39.176 39.000 0.069 0.000 1.112 179 F HN -0.437 7.548 8.300 -0.306 0.131 0.584 180 I N -7.772 112.886 120.570 0.146 0.000 4.240 180 I HA 0.276 nan 4.170 nan 0.000 0.331 180 I C 0.663 176.815 176.117 0.060 0.000 1.381 180 I CA -0.510 60.840 61.300 0.085 0.000 1.136 180 I CB 1.577 39.568 38.000 -0.016 0.000 1.137 180 I HN -0.042 8.042 8.210 0.077 0.173 0.411 181 M N 2.148 121.801 119.600 0.088 0.000 2.065 181 M HA -0.432 nan 4.480 nan 0.000 0.259 181 M C 1.867 178.272 176.300 0.175 0.000 1.069 181 M CA 3.434 58.822 55.300 0.147 0.000 1.110 181 M CB -1.679 31.012 32.600 0.151 0.000 1.328 181 M HN -0.660 7.677 8.290 0.077 0.000 0.405 182 D N -2.148 118.354 120.400 0.169 0.000 2.158 182 D HA -0.303 nan 4.640 nan 0.000 0.197 182 D C 2.439 178.913 176.300 0.290 0.000 0.995 182 D CA 3.082 57.193 54.000 0.185 0.000 0.846 182 D CB -0.683 40.185 40.800 0.114 0.000 0.941 182 D HN 0.355 8.816 8.370 0.151 0.000 0.456 183 R N -1.842 118.806 120.500 0.246 0.000 2.093 183 R HA -0.150 nan 4.340 nan 0.000 0.224 183 R C 2.383 178.639 176.300 -0.074 0.000 1.101 183 R CA 2.505 58.682 56.100 0.129 0.000 0.979 183 R CB 0.173 30.464 30.300 -0.015 0.000 0.877 183 R HN -0.767 7.511 8.270 0.196 0.110 0.441 184 L N -1.843 119.259 121.223 -0.200 0.000 2.240 184 L HA -0.229 nan 4.340 nan 0.000 0.211 184 L C 1.505 177.961 176.870 -0.690 0.000 1.106 184 L CA 2.916 57.429 54.840 -0.544 0.000 0.793 184 L CB -0.037 41.494 42.059 -0.882 0.000 0.927 184 L HN -0.417 7.645 8.230 -0.121 0.095 0.446 185 Y N -6.314 114.011 120.300 0.041 0.000 2.769 185 Y HA 0.005 nan 4.550 nan 0.000 0.266 185 Y C -0.041 175.894 175.900 0.059 0.000 1.091 185 Y CA 0.792 58.914 58.100 0.036 0.000 1.272 185 Y CB 1.774 40.245 38.460 0.019 0.000 1.469 185 Y HN -0.240 8.039 8.280 -0.001 0.000 0.475 186 N N -0.532 118.308 118.700 0.233 0.000 2.648 186 N HA 0.053 nan 4.740 nan 0.000 0.261 186 N C -1.616 173.995 175.510 0.168 0.000 1.138 186 N CA -0.583 52.566 53.050 0.164 0.000 0.804 186 N CB 0.775 39.329 38.487 0.111 0.000 1.237 186 N HN -0.756 7.774 8.380 0.251 0.000 0.532 187 F N 6.237 126.211 119.950 0.039 0.000 2.444 187 F HA 0.098 nan 4.527 nan 0.000 0.360 187 F C -0.599 175.222 175.800 0.035 0.000 1.106 187 F CA -0.179 57.843 58.000 0.036 0.000 1.170 187 F CB 1.162 40.178 39.000 0.027 0.000 1.113 187 F HN 0.860 9.222 8.300 0.298 0.117 0.521 188 S N 8.537 123.877 115.700 -0.600 0.000 3.631 188 S HA -0.469 nan 4.470 nan 0.000 0.366 188 S C -0.486 174.002 174.600 -0.187 0.000 0.993 188 S CA 1.112 59.032 58.200 -0.467 0.000 1.167 188 S CB -1.470 61.342 63.200 -0.647 0.000 0.909 188 S HN 0.892 8.865 8.310 -0.562 0.000 0.478 189 N N -3.297 115.339 118.700 -0.107 0.000 2.732 189 N HA -0.284 nan 4.740 nan 0.000 0.250 189 N C 0.546 176.050 175.510 -0.009 0.000 1.097 189 N CA 1.189 54.212 53.050 -0.044 0.000 0.812 189 N CB -0.412 38.045 38.487 -0.050 0.000 1.148 189 N HN 0.296 8.612 8.380 -0.107 0.000 0.572 190 T N -6.276 108.287 114.554 0.014 0.000 3.085 190 T HA 0.039 nan 4.350 nan 0.000 0.263 190 T C 1.546 176.280 174.700 0.055 0.000 1.127 190 T CA 0.478 62.606 62.100 0.048 0.000 1.103 190 T CB 0.322 69.246 68.868 0.094 0.000 0.921 190 T HN -0.198 7.870 8.240 0.006 0.175 0.510 191 G N 2.088 110.924 108.800 0.059 0.000 2.162 191 G HA2 -0.404 nan 3.960 nan 0.000 0.260 191 G HA3 -0.404 nan 3.960 nan 0.000 0.260 191 G C -1.104 173.844 174.900 0.080 0.000 0.976 191 G CA 0.311 45.448 45.100 0.061 0.000 0.655 191 G HN 0.205 8.804 8.290 0.056 -0.275 0.533 192 L N -1.140 120.144 121.223 0.101 0.000 2.359 192 L HA 0.546 nan 4.340 nan 0.000 0.256 192 L C -2.099 174.845 176.870 0.124 0.000 1.026 192 L CA -3.623 51.275 54.840 0.097 0.000 0.828 192 L CB 2.414 44.520 42.059 0.077 0.000 1.406 192 L HN -0.573 7.666 8.230 0.116 0.060 0.413 193 P HA 0.104 nan 4.420 nan 0.000 0.274 193 P C -1.576 175.704 177.300 -0.033 0.000 1.246 193 P CA -0.599 62.509 63.100 0.012 0.000 0.795 193 P CB 0.353 32.009 31.700 -0.073 0.000 1.006 194 D N 0.654 120.920 120.400 -0.222 0.000 2.412 194 D HA 0.026 nan 4.640 nan 0.000 0.257 194 D C 0.759 176.886 176.300 -0.287 0.000 1.217 194 D CA -2.031 51.616 54.000 -0.588 0.000 0.897 194 D CB 0.304 40.495 40.800 -1.014 0.000 1.132 194 D HN -0.157 8.093 8.370 -0.200 0.000 0.493 195 P HA -0.134 nan 4.420 nan 0.000 0.223 195 P C -0.038 177.211 177.300 -0.085 0.000 1.144 195 P CA 1.446 64.495 63.100 -0.085 0.000 0.783 195 P CB -0.093 31.590 31.700 -0.028 0.000 0.771 196 T N -6.709 107.767 114.554 -0.130 0.000 3.144 196 T HA -0.019 nan 4.350 nan 0.000 0.249 196 T C -0.351 174.309 174.700 -0.067 0.000 1.089 196 T CA -0.740 61.316 62.100 -0.072 0.000 0.989 196 T CB -0.011 68.825 68.868 -0.054 0.000 0.992 196 T HN -0.168 8.227 8.240 -0.219 -0.286 0.540 197 L N 2.273 123.433 121.223 -0.104 0.000 2.257 197 L HA 0.165 nan 4.340 nan 0.000 0.290 197 L C -0.617 176.233 176.870 -0.034 0.000 1.044 197 L CA -1.268 53.524 54.840 -0.080 0.000 0.810 197 L CB 1.200 43.169 42.059 -0.151 0.000 1.193 197 L HN -0.556 7.516 8.230 -0.137 0.076 0.425 198 N N 7.300 126.014 118.700 0.024 0.000 2.292 198 N HA -0.215 nan 4.740 nan 0.000 0.258 198 N C 0.595 176.125 175.510 0.033 0.000 1.261 198 N CA 1.298 54.371 53.050 0.037 0.000 0.845 198 N CB 1.580 40.106 38.487 0.064 0.000 1.064 198 N HN 0.101 8.510 8.380 0.047 0.000 0.471 199 T N 1.128 115.689 114.554 0.012 0.000 2.915 199 T HA -0.154 nan 4.350 nan 0.000 0.269 199 T C 1.996 176.707 174.700 0.018 0.000 1.071 199 T CA 2.964 65.065 62.100 0.001 0.000 1.132 199 T CB -0.075 68.790 68.868 -0.006 0.000 0.878 199 T HN 0.287 8.531 8.240 0.007 0.000 0.479 200 T N 5.174 119.751 114.554 0.039 0.000 2.812 200 T HA -0.185 nan 4.350 nan 0.000 0.264 200 T C 1.476 176.240 174.700 0.107 0.000 1.042 200 T CA 4.334 66.463 62.100 0.048 0.000 1.140 200 T CB -0.588 68.297 68.868 0.029 0.000 0.870 200 T HN -0.153 8.307 8.240 0.036 -0.199 0.445 201 Y N 3.021 123.292 120.300 -0.049 0.000 2.224 201 Y HA -0.273 nan 4.550 nan 0.000 0.289 201 Y C 1.114 176.976 175.900 -0.064 0.000 1.146 201 Y CA 0.659 58.726 58.100 -0.055 0.000 1.182 201 Y CB -0.291 38.132 38.460 -0.062 0.000 0.983 201 Y HN -0.165 8.569 8.280 0.189 -0.340 0.524 202 L N -0.587 120.618 121.223 -0.030 0.000 2.043 202 L HA -0.473 nan 4.340 nan 0.000 0.212 202 L C 1.917 178.714 176.870 -0.121 0.000 1.075 202 L CA 3.703 58.455 54.840 -0.148 0.000 0.752 202 L CB -0.466 41.525 42.059 -0.114 0.000 0.891 202 L HN 0.026 8.192 8.230 0.036 0.085 0.432 203 Q N -2.621 117.153 119.800 -0.042 0.000 2.050 203 Q HA -0.333 nan 4.340 nan 0.000 0.202 203 Q C 2.868 178.860 176.000 -0.013 0.000 0.980 203 Q CA 2.798 58.588 55.803 -0.021 0.000 0.840 203 Q CB -0.886 27.856 28.738 0.006 0.000 0.898 203 Q HN -0.371 7.801 8.270 -0.011 0.091 0.424 204 T N 3.759 118.326 114.554 0.020 0.000 2.684 204 T HA -0.279 nan 4.350 nan 0.000 0.267 204 T C 2.266 176.952 174.700 -0.023 0.000 1.036 204 T CA 4.781 66.905 62.100 0.041 0.000 1.148 204 T CB -0.504 68.454 68.868 0.149 0.000 0.863 204 T HN -0.593 7.608 8.240 0.055 0.071 0.436 205 L N 0.433 121.578 121.223 -0.130 0.000 2.042 205 L HA -0.506 nan 4.340 nan 0.000 0.210 205 L C 1.964 178.762 176.870 -0.121 0.000 1.076 205 L CA 3.452 58.171 54.840 -0.201 0.000 0.749 205 L CB -0.681 41.144 42.059 -0.391 0.000 0.893 205 L HN 0.330 8.459 8.230 -0.168 0.000 0.432 206 R N -2.734 117.699 120.500 -0.113 0.000 2.152 206 R HA -0.301 nan 4.340 nan 0.000 0.232 206 R C 2.058 178.386 176.300 0.046 0.000 1.117 206 R CA 2.923 59.008 56.100 -0.026 0.000 0.981 206 R CB -0.468 29.817 30.300 -0.025 0.000 0.870 206 R HN 0.015 8.204 8.270 -0.135 0.000 0.451 207 G N -1.978 106.831 108.800 0.015 0.000 2.403 207 G HA2 -0.154 nan 3.960 nan 0.000 0.216 207 G HA3 -0.154 nan 3.960 nan 0.000 0.216 207 G C 0.428 175.340 174.900 0.020 0.000 1.154 207 G CA 1.035 46.150 45.100 0.024 0.000 0.784 207 G HN -0.494 7.655 8.290 -0.007 0.137 0.538 208 L N -1.630 119.596 121.223 0.005 0.000 2.179 208 L HA -0.005 nan 4.340 nan 0.000 0.208 208 L C -0.190 176.683 176.870 0.005 0.000 1.096 208 L CA 1.423 56.263 54.840 0.000 0.000 0.779 208 L CB 0.864 42.914 42.059 -0.015 0.000 0.922 208 L HN -0.661 7.464 8.230 -0.009 0.099 0.443 209 c N -0.531 118.081 118.600 0.019 0.000 2.816 209 c HA 0.533 nan 4.570 nan 0.000 0.255 209 c C -2.731 171.442 174.090 0.138 0.000 1.141 209 c CA -3.234 53.126 56.329 0.051 0.000 1.554 209 c CB -1.105 41.425 42.510 0.033 0.000 1.778 209 c HN 0.104 8.251 8.230 0.015 0.092 0.429 210 P HA 0.145 nan 4.420 nan 0.000 0.271 210 P C 0.066 177.368 177.300 0.003 0.000 1.218 210 P CA -0.470 62.680 63.100 0.084 0.000 0.780 210 P CB 0.454 32.169 31.700 0.025 0.000 0.901 211 L N 2.771 123.888 121.223 -0.177 0.000 2.263 211 L HA -0.325 nan 4.340 nan 0.000 0.216 211 L C 0.022 176.763 176.870 -0.215 0.000 1.111 211 L CA 2.317 56.895 54.840 -0.438 0.000 0.773 211 L CB 0.136 41.776 42.059 -0.698 0.000 0.906 211 L HN 0.386 8.535 8.230 -0.134 0.000 0.439 212 N N -3.903 114.724 118.700 -0.122 0.000 2.517 212 N HA 0.071 nan 4.740 nan 0.000 0.285 212 N C -0.646 174.834 175.510 -0.051 0.000 1.528 212 N CA -0.554 52.445 53.050 -0.084 0.000 0.892 212 N CB 0.673 39.114 38.487 -0.077 0.000 1.356 212 N HN -0.388 7.892 8.380 -0.097 0.041 0.495 213 G N -0.283 108.494 108.800 -0.039 0.000 2.641 213 G HA2 0.157 nan 3.960 nan 0.000 0.239 213 G HA3 0.157 nan 3.960 nan 0.000 0.239 213 G C -1.916 172.968 174.900 -0.025 0.000 1.402 213 G CA -1.359 43.727 45.100 -0.023 0.000 1.046 213 G HN -0.270 7.994 8.290 -0.042 0.000 0.565 214 N N -0.020 118.668 118.700 -0.020 0.000 2.406 214 N HA 0.029 nan 4.740 nan 0.000 0.251 214 N C 1.676 177.165 175.510 -0.034 0.000 1.069 214 N CA -0.690 52.345 53.050 -0.025 0.000 0.947 214 N CB 0.356 38.833 38.487 -0.018 0.000 1.111 214 N HN 0.086 8.457 8.380 -0.015 0.000 0.497 215 L N 5.542 126.735 121.223 -0.049 0.000 2.456 215 L HA -0.186 nan 4.340 nan 0.000 0.224 215 L C 0.787 177.595 176.870 -0.103 0.000 1.148 215 L CA 2.003 56.794 54.840 -0.081 0.000 0.825 215 L CB -0.048 41.952 42.059 -0.099 0.000 0.937 215 L HN 0.780 8.982 8.230 -0.046 0.000 0.450 216 S N -2.720 112.940 115.700 -0.066 0.000 2.556 216 S HA 0.001 nan 4.470 nan 0.000 0.216 216 S C 0.003 174.587 174.600 -0.027 0.000 0.970 216 S CA 0.046 58.216 58.200 -0.050 0.000 0.912 216 S CB -0.225 62.961 63.200 -0.024 0.000 0.790 216 S HN -0.255 7.973 8.310 -0.049 0.052 0.504 217 A N 1.169 123.971 122.820 -0.029 0.000 2.445 217 A HA 0.000 nan 4.320 nan 0.000 0.242 217 A C -1.682 175.891 177.584 -0.019 0.000 1.075 217 A CA 0.438 52.465 52.037 -0.017 0.000 0.777 217 A CB 1.200 20.191 19.000 -0.016 0.000 1.013 217 A HN -0.716 7.249 8.150 -0.036 0.164 0.493 218 L N 0.644 121.861 121.223 -0.011 0.000 2.309 218 L HA 0.794 nan 4.340 nan 0.000 0.282 218 L C -0.125 176.729 176.870 -0.027 0.000 1.036 218 L CA -1.075 53.757 54.840 -0.014 0.000 0.806 218 L CB 1.725 43.785 42.059 0.002 0.000 1.220 218 L HN -0.049 8.177 8.230 -0.006 0.000 0.429 219 V N -1.744 118.135 119.914 -0.059 0.000 2.914 219 V HA 0.497 nan 4.120 nan 0.000 0.314 219 V C -1.528 174.515 176.094 -0.086 0.000 1.084 219 V CA -3.081 59.182 62.300 -0.062 0.000 0.963 219 V CB 3.668 35.439 31.823 -0.087 0.000 1.025 219 V HN 0.819 8.853 8.190 -0.084 0.106 0.432 220 D N 1.730 122.117 120.400 -0.022 0.000 2.345 220 D HA 0.207 nan 4.640 nan 0.000 0.247 220 D C -0.938 175.371 176.300 0.015 0.000 1.108 220 D CA 0.738 54.755 54.000 0.028 0.000 0.894 220 D CB 1.058 41.907 40.800 0.082 0.000 1.203 220 D HN -0.067 8.307 8.370 0.007 0.000 0.430 221 F N 0.681 120.670 119.950 0.066 0.000 2.186 221 F HA -0.283 nan 4.527 nan 0.000 0.299 221 F C 0.177 176.044 175.800 0.112 0.000 1.090 221 F CA 3.553 61.592 58.000 0.066 0.000 1.307 221 F CB 0.953 39.981 39.000 0.047 0.000 1.019 221 F HN 0.144 8.613 8.300 0.281 0.000 0.489 222 D N -2.030 118.543 120.400 0.288 0.000 2.440 222 D HA 0.130 nan 4.640 nan 0.000 0.239 222 D C 0.045 176.400 176.300 0.091 0.000 1.084 222 D CA -1.840 52.264 54.000 0.174 0.000 0.843 222 D CB 0.971 41.862 40.800 0.151 0.000 1.097 222 D HN -0.460 8.062 8.370 0.282 0.017 0.531 223 L N -0.028 121.208 121.223 0.022 0.000 2.217 223 L HA 0.048 nan 4.340 nan 0.000 0.211 223 L C 0.879 177.718 176.870 -0.052 0.000 1.107 223 L CA 1.764 56.581 54.840 -0.038 0.000 0.783 223 L CB 0.135 42.074 42.059 -0.200 0.000 0.919 223 L HN 0.200 8.434 8.230 0.007 0.000 0.442 224 R N -0.851 119.614 120.500 -0.058 0.000 2.056 224 R HA -0.096 nan 4.340 nan 0.000 0.227 224 R C -0.035 176.260 176.300 -0.009 0.000 1.149 224 R CA 1.627 57.698 56.100 -0.048 0.000 0.937 224 R CB 0.637 30.899 30.300 -0.063 0.000 0.835 224 R HN -0.086 8.310 8.270 -0.065 -0.165 0.430 225 T N -4.453 110.109 114.554 0.012 0.000 3.150 225 T HA 0.519 nan 4.350 nan 0.000 0.383 225 T C -1.249 173.498 174.700 0.078 0.000 1.313 225 T CA -3.575 58.548 62.100 0.039 0.000 1.235 225 T CB 0.112 68.999 68.868 0.033 0.000 1.088 225 T HN -0.649 7.982 8.240 0.007 -0.387 0.556 226 P HA -0.173 nan 4.420 nan 0.000 0.218 226 P C -0.308 177.109 177.300 0.196 0.000 1.146 226 P CA 2.194 65.376 63.100 0.137 0.000 0.813 226 P CB -0.138 31.622 31.700 0.100 0.000 0.778 227 T N -11.740 102.923 114.554 0.182 0.000 3.040 227 T HA 0.135 nan 4.350 nan 0.000 0.266 227 T C -0.317 174.547 174.700 0.274 0.000 1.005 227 T CA -1.254 60.992 62.100 0.244 0.000 0.906 227 T CB 0.190 69.155 68.868 0.160 0.000 1.082 227 T HN -0.242 8.049 8.240 0.136 0.031 0.531 228 I N 2.574 123.252 120.570 0.180 0.000 2.377 228 I HA 0.132 nan 4.170 nan 0.000 0.293 228 I C -1.520 174.616 176.117 0.032 0.000 0.987 228 I CA -1.013 60.367 61.300 0.133 0.000 1.185 228 I CB 1.794 39.853 38.000 0.098 0.000 1.341 228 I HN -0.785 7.404 8.210 0.147 0.109 0.455 229 F N 9.757 129.612 119.950 -0.158 0.000 2.439 229 F HA -0.161 nan 4.527 nan 0.000 0.356 229 F C -1.567 174.236 175.800 0.006 0.000 1.161 229 F CA 0.358 58.155 58.000 -0.338 0.000 1.151 229 F CB 0.130 38.787 39.000 -0.571 0.000 1.222 229 F HN 0.530 8.814 8.300 0.157 0.111 0.558 230 D N 4.370 124.690 120.400 -0.134 0.000 2.825 230 D HA 0.241 nan 4.640 nan 0.000 0.327 230 D C -0.937 175.411 176.300 0.081 0.000 1.277 230 D CA -1.232 52.885 54.000 0.195 0.000 0.950 230 D CB 1.656 42.517 40.800 0.102 0.000 1.438 230 D HN -0.397 7.706 8.370 -0.445 0.000 0.526 231 N N -2.655 116.094 118.700 0.082 0.000 2.383 231 N HA -0.116 nan 4.740 nan 0.000 0.192 231 N C 1.410 176.887 175.510 -0.055 0.000 1.141 231 N CA 0.272 53.275 53.050 -0.078 0.000 0.851 231 N CB -0.542 37.940 38.487 -0.008 0.000 0.976 231 N HN 0.396 8.822 8.380 0.077 0.000 0.465 232 K N 0.304 120.664 120.400 -0.068 0.000 2.218 232 K HA -0.366 nan 4.320 nan 0.000 0.205 232 K C 1.309 177.838 176.600 -0.117 0.000 1.046 232 K CA 2.364 58.606 56.287 -0.074 0.000 0.933 232 K CB -1.415 31.049 32.500 -0.059 0.000 0.728 232 K HN -0.702 7.618 8.250 -0.055 -0.103 0.454 233 Y N 0.735 120.838 120.300 -0.329 0.000 2.139 233 Y HA -0.505 nan 4.550 nan 0.000 0.282 233 Y C 1.924 177.532 175.900 -0.487 0.000 1.179 233 Y CA 3.723 61.556 58.100 -0.445 0.000 1.161 233 Y CB -0.345 37.692 38.460 -0.704 0.000 0.970 233 Y HN -0.437 7.735 8.280 -0.122 0.035 0.511 234 Y N -4.270 115.878 120.300 -0.254 0.000 2.263 234 Y HA -0.381 nan 4.550 nan 0.000 0.292 234 Y C 2.224 177.928 175.900 -0.327 0.000 1.130 234 Y CA 4.200 62.112 58.100 -0.314 0.000 1.179 234 Y CB -0.713 37.654 38.460 -0.155 0.000 0.998 234 Y HN -0.339 7.793 8.280 -0.233 0.008 0.532 235 V N 0.022 119.859 119.914 -0.128 0.000 2.332 235 V HA -0.558 nan 4.120 nan 0.000 0.248 235 V C 1.944 177.892 176.094 -0.244 0.000 1.055 235 V CA 4.174 66.376 62.300 -0.164 0.000 1.038 235 V CB -1.092 30.661 31.823 -0.117 0.000 0.651 235 V HN -0.530 7.526 8.190 -0.081 0.085 0.450 236 N N -0.911 117.626 118.700 -0.271 0.000 2.120 236 N HA -0.288 nan 4.740 nan 0.000 0.188 236 N C 2.256 177.565 175.510 -0.335 0.000 1.024 236 N CA 2.789 55.670 53.050 -0.282 0.000 0.852 236 N CB -0.691 37.640 38.487 -0.260 0.000 1.003 236 N HN -0.219 8.005 8.380 -0.261 0.000 0.424 237 L N -0.605 120.348 121.223 -0.450 0.000 2.079 237 L HA -0.368 nan 4.340 nan 0.000 0.210 237 L C 2.670 179.117 176.870 -0.705 0.000 1.081 237 L CA 3.526 58.074 54.840 -0.486 0.000 0.752 237 L CB -0.584 41.181 42.059 -0.491 0.000 0.896 237 L HN -0.494 7.346 8.230 -0.510 0.084 0.433 238 E N -2.493 117.220 120.200 -0.813 0.000 2.268 238 E HA -0.238 nan 4.350 nan 0.000 0.195 238 E C 1.099 177.427 176.600 -0.453 0.000 0.995 238 E CA 2.273 58.078 56.400 -0.993 0.000 0.836 238 E CB -0.327 29.018 29.700 -0.592 0.000 0.763 238 E HN -0.519 7.474 8.360 -0.599 0.007 0.491 239 E N -3.605 116.412 120.200 -0.306 0.000 2.463 239 E HA 0.106 nan 4.350 nan 0.000 0.193 239 E C -0.748 175.784 176.600 -0.113 0.000 1.041 239 E CA -0.830 55.469 56.400 -0.168 0.000 0.879 239 E CB 0.408 30.012 29.700 -0.160 0.000 0.997 239 E HN -0.759 7.253 8.360 -0.337 0.146 0.478 240 Q N -5.410 114.315 119.800 -0.125 0.000 2.506 240 Q HA -0.356 nan 4.340 nan 0.000 0.268 240 Q C -0.071 175.929 176.000 -0.000 0.000 1.002 240 Q CA 1.267 57.048 55.803 -0.037 0.000 1.052 240 Q CB -2.612 26.129 28.738 0.006 0.000 1.383 240 Q HN -0.236 7.705 8.270 -0.225 0.194 0.537 241 K N -2.004 118.369 120.400 -0.044 0.000 2.498 241 K HA 0.123 nan 4.320 nan 0.000 0.207 241 K C -0.857 175.799 176.600 0.093 0.000 1.033 241 K CA -0.883 55.443 56.287 0.064 0.000 1.138 241 K CB 0.045 32.436 32.500 -0.182 0.000 0.860 241 K HN 0.087 8.138 8.250 -0.135 0.118 0.490 242 G N -1.301 107.499 108.800 -0.002 0.000 2.365 242 G HA2 -0.053 nan 3.960 nan 0.000 0.249 242 G HA3 -0.053 nan 3.960 nan 0.000 0.249 242 G C -0.132 174.827 174.900 0.099 0.000 1.288 242 G CA -0.325 44.772 45.100 -0.005 0.000 0.887 242 G HN -0.566 7.633 8.290 -0.029 0.073 0.524 243 L N 5.838 127.149 121.223 0.148 0.000 2.005 243 L HA -0.048 nan 4.340 nan 0.000 0.207 243 L C -0.181 176.698 176.870 0.014 0.000 1.072 243 L CA 2.082 56.953 54.840 0.051 0.000 0.744 243 L CB 0.936 42.985 42.059 -0.018 0.000 0.895 243 L HN 0.366 8.720 8.230 0.207 0.000 0.433 244 I N -8.154 112.480 120.570 0.107 0.000 2.607 244 I HA 0.182 nan 4.170 nan 0.000 0.305 244 I C 0.116 176.321 176.117 0.146 0.000 0.995 244 I CA -1.726 59.648 61.300 0.123 0.000 1.148 244 I CB 1.889 39.987 38.000 0.165 0.000 1.323 244 I HN -0.930 7.597 8.210 0.200 -0.197 0.461 245 Q N 4.901 124.798 119.800 0.162 0.000 2.096 245 Q HA -0.444 nan 4.340 nan 0.000 0.208 245 Q C 1.545 177.655 176.000 0.183 0.000 0.993 245 Q CA 3.879 59.790 55.803 0.180 0.000 0.862 245 Q CB -0.242 28.669 28.738 0.289 0.000 0.915 245 Q HN 0.760 9.139 8.270 0.181 0.000 0.416 246 S N -2.353 113.462 115.700 0.191 0.000 2.442 246 S HA -0.303 nan 4.470 nan 0.000 0.236 246 S C 2.074 176.792 174.600 0.197 0.000 1.007 246 S CA 2.698 61.008 58.200 0.184 0.000 0.965 246 S CB -0.459 62.834 63.200 0.155 0.000 0.773 246 S HN -0.399 8.024 8.310 0.187 0.000 0.504 247 D N 2.161 122.698 120.400 0.229 0.000 2.085 247 D HA -0.091 nan 4.640 nan 0.000 0.199 247 D C 2.290 178.668 176.300 0.129 0.000 0.981 247 D CA 2.658 56.807 54.000 0.250 0.000 0.834 247 D CB -0.053 40.921 40.800 0.290 0.000 0.992 247 D HN -0.354 8.007 8.370 0.227 0.145 0.457 248 Q N 0.259 120.119 119.800 0.100 0.000 2.170 248 Q HA -0.277 nan 4.340 nan 0.000 0.203 248 Q C 2.220 178.293 176.000 0.122 0.000 0.976 248 Q CA 2.525 58.375 55.803 0.079 0.000 0.858 248 Q CB -0.262 28.505 28.738 0.048 0.000 0.907 248 Q HN -0.448 7.890 8.270 0.113 0.000 0.433 249 E N -0.109 120.166 120.200 0.125 0.000 2.204 249 E HA -0.276 nan 4.350 nan 0.000 0.195 249 E C 2.777 179.444 176.600 0.113 0.000 0.990 249 E CA 2.651 59.123 56.400 0.119 0.000 0.821 249 E CB -0.368 29.411 29.700 0.131 0.000 0.750 249 E HN -0.220 8.200 8.360 0.132 0.019 0.477 250 L N -1.775 119.528 121.223 0.134 0.000 2.265 250 L HA -0.309 nan 4.340 nan 0.000 0.215 250 L C 1.333 178.303 176.870 0.167 0.000 1.117 250 L CA 2.653 57.573 54.840 0.132 0.000 0.782 250 L CB -0.217 41.940 42.059 0.163 0.000 0.914 250 L HN -0.460 7.824 8.230 0.141 0.031 0.441 251 F N -0.919 119.033 119.950 0.002 0.000 2.637 251 F HA 0.027 nan 4.527 nan 0.000 0.284 251 F C 0.632 176.424 175.800 -0.012 0.000 1.105 251 F CA 2.043 60.034 58.000 -0.015 0.000 1.356 251 F CB 1.731 40.711 39.000 -0.033 0.000 1.096 251 F HN -0.127 8.177 8.300 0.256 0.150 0.616 252 S N -1.136 114.625 115.700 0.102 0.000 2.524 252 S HA 0.032 nan 4.470 nan 0.000 0.215 252 S C -0.663 173.931 174.600 -0.010 0.000 0.986 252 S CA 0.678 58.887 58.200 0.015 0.000 0.911 252 S CB 0.523 63.778 63.200 0.091 0.000 0.805 252 S HN -0.077 8.339 8.310 0.178 0.000 0.501 253 S N 2.725 118.429 115.700 0.006 0.000 2.576 253 S HA 0.244 nan 4.470 nan 0.000 0.276 253 S C -0.354 174.235 174.600 -0.019 0.000 1.339 253 S CA -2.299 55.910 58.200 0.016 0.000 1.039 253 S CB 0.686 63.910 63.200 0.040 0.000 0.902 253 S HN -0.606 7.626 8.310 0.021 0.090 0.516 254 P HA -0.117 nan 4.420 nan 0.000 0.222 254 P C -0.011 177.277 177.300 -0.021 0.000 1.147 254 P CA 1.939 65.027 63.100 -0.019 0.000 0.790 254 P CB 0.154 31.853 31.700 -0.001 0.000 0.780 255 N N -3.170 115.525 118.700 -0.008 0.000 2.336 255 N HA -0.027 nan 4.740 nan 0.000 0.189 255 N C 0.600 176.100 175.510 -0.016 0.000 1.113 255 N CA -0.256 52.790 53.050 -0.006 0.000 0.858 255 N CB 0.473 38.967 38.487 0.011 0.000 0.970 255 N HN -0.421 7.914 8.380 0.004 0.047 0.471 256 A N 0.681 123.482 122.820 -0.032 0.000 2.281 256 A HA 0.180 nan 4.320 nan 0.000 0.231 256 A C 0.166 177.706 177.584 -0.072 0.000 1.317 256 A CA 0.608 52.617 52.037 -0.047 0.000 0.959 256 A CB -1.523 17.439 19.000 -0.064 0.000 0.900 256 A HN -0.076 7.853 8.150 -0.037 0.199 0.497 257 T N 1.119 115.638 114.554 -0.058 0.000 2.708 257 T HA -0.301 nan 4.350 nan 0.000 0.266 257 T C 0.875 175.540 174.700 -0.057 0.000 1.037 257 T CA 4.121 66.184 62.100 -0.062 0.000 1.146 257 T CB -0.356 68.485 68.868 -0.044 0.000 0.865 257 T HN -0.216 7.872 8.240 -0.043 0.126 0.435 258 D N -2.500 117.874 120.400 -0.043 0.000 2.348 258 D HA 0.012 nan 4.640 nan 0.000 0.211 258 D C 1.397 177.667 176.300 -0.050 0.000 0.998 258 D CA 1.383 55.359 54.000 -0.041 0.000 0.873 258 D CB -0.464 40.321 40.800 -0.025 0.000 0.925 258 D HN 0.327 8.676 8.370 -0.035 0.000 0.524 259 T N -4.296 110.231 114.554 -0.046 0.000 3.033 259 T HA 0.065 nan 4.350 nan 0.000 0.248 259 T C 1.697 176.370 174.700 -0.045 0.000 1.040 259 T CA 1.421 63.497 62.100 -0.040 0.000 1.133 259 T CB 0.867 69.736 68.868 0.000 0.000 0.895 259 T HN -0.989 7.076 8.240 -0.043 0.149 0.465 260 I N 2.153 122.690 120.570 -0.055 0.000 2.151 260 I HA -0.371 nan 4.170 nan 0.000 0.243 260 I C -0.694 175.402 176.117 -0.034 0.000 1.080 260 I CA 5.916 67.188 61.300 -0.046 0.000 1.339 260 I CB -2.510 35.365 38.000 -0.210 0.000 1.039 260 I HN 0.218 8.383 8.210 -0.075 0.000 0.409 261 P HA -0.183 nan 4.420 nan 0.000 0.216 261 P C 1.695 178.875 177.300 -0.201 0.000 1.153 261 P CA 3.099 66.137 63.100 -0.103 0.000 0.848 261 P CB -0.669 30.975 31.700 -0.093 0.000 0.787 262 L N -2.653 118.394 121.223 -0.293 0.000 2.046 262 L HA -0.316 nan 4.340 nan 0.000 0.208 262 L C 2.415 178.791 176.870 -0.823 0.000 1.077 262 L CA 3.159 57.603 54.840 -0.659 0.000 0.747 262 L CB -0.447 41.251 42.059 -0.603 0.000 0.896 262 L HN -0.856 7.247 8.230 -0.211 0.000 0.432 263 V N -0.529 119.171 119.914 -0.357 0.000 2.287 263 V HA -0.552 nan 4.120 nan 0.000 0.248 263 V C 2.443 178.453 176.094 -0.140 0.000 1.053 263 V CA 4.499 66.716 62.300 -0.139 0.000 1.027 263 V CB -1.047 30.884 31.823 0.179 0.000 0.646 263 V HN 0.269 8.339 8.190 -0.200 0.000 0.447 264 R N -2.102 118.359 120.500 -0.065 0.000 2.073 264 R HA -0.396 nan 4.340 nan 0.000 0.234 264 R C 2.420 178.666 176.300 -0.091 0.000 1.134 264 R CA 3.437 59.518 56.100 -0.032 0.000 0.952 264 R CB -0.292 30.021 30.300 0.021 0.000 0.850 264 R HN 0.168 8.419 8.270 -0.032 0.000 0.433 265 S N -0.216 115.382 115.700 -0.170 0.000 2.359 265 S HA -0.269 nan 4.470 nan 0.000 0.224 265 S C 2.276 176.878 174.600 0.003 0.000 1.035 265 S CA 3.657 61.785 58.200 -0.121 0.000 1.018 265 S CB -0.143 62.940 63.200 -0.195 0.000 0.876 265 S HN 0.122 8.187 8.310 -0.225 0.109 0.448 266 F N -0.502 119.300 119.950 -0.248 0.000 2.259 266 F HA -0.142 nan 4.527 nan 0.000 0.298 266 F C 1.568 177.181 175.800 -0.311 0.000 1.088 266 F CA 0.503 58.264 58.000 -0.400 0.000 1.358 266 F CB -0.864 37.488 39.000 -1.079 0.000 1.040 266 F HN 0.262 8.269 8.300 -0.487 0.000 0.505 267 A N -1.260 121.537 122.820 -0.038 0.000 2.015 267 A HA -0.184 nan 4.320 nan 0.000 0.219 267 A C 1.000 178.580 177.584 -0.008 0.000 1.163 267 A CA 2.021 54.063 52.037 0.009 0.000 0.646 267 A CB -0.203 18.793 19.000 -0.007 0.000 0.806 267 A HN -0.163 7.833 8.150 -0.086 0.103 0.448 268 N N -3.052 115.644 118.700 -0.007 0.000 2.446 268 N HA -0.041 nan 4.740 nan 0.000 0.179 268 N C -0.482 175.024 175.510 -0.007 0.000 1.054 268 N CA 1.204 54.249 53.050 -0.009 0.000 0.905 268 N CB 1.069 39.552 38.487 -0.007 0.000 0.973 268 N HN -0.479 7.776 8.380 -0.007 0.121 0.448 269 S N -0.821 114.884 115.700 0.008 0.000 2.776 269 S HA 0.212 nan 4.470 nan 0.000 0.284 269 S C -0.004 174.574 174.600 -0.037 0.000 1.160 269 S CA -1.369 56.824 58.200 -0.011 0.000 1.051 269 S CB 1.084 64.292 63.200 0.013 0.000 1.037 269 S HN -0.715 7.615 8.310 0.033 0.000 0.485 270 T N 9.793 124.270 114.554 -0.128 0.000 2.759 270 T HA -0.319 nan 4.350 nan 0.000 0.269 270 T C 1.397 175.823 174.700 -0.458 0.000 1.042 270 T CA 4.480 66.389 62.100 -0.318 0.000 1.140 270 T CB -0.305 68.304 68.868 -0.432 0.000 0.864 270 T HN 0.713 8.884 8.240 -0.116 0.000 0.455 271 Q N 0.541 120.184 119.800 -0.261 0.000 2.084 271 Q HA -0.238 nan 4.340 nan 0.000 0.202 271 Q C 1.908 177.869 176.000 -0.065 0.000 0.978 271 Q CA 3.322 59.030 55.803 -0.159 0.000 0.844 271 Q CB -0.807 27.887 28.738 -0.074 0.000 0.898 271 Q HN 0.200 8.348 8.270 -0.184 0.012 0.426 272 T N 3.449 117.994 114.554 -0.015 0.000 2.746 272 T HA -0.306 nan 4.350 nan 0.000 0.267 272 T C 1.855 176.549 174.700 -0.011 0.000 1.039 272 T CA 4.604 66.735 62.100 0.052 0.000 1.142 272 T CB -0.713 68.242 68.868 0.144 0.000 0.866 272 T HN -0.669 7.561 8.240 -0.017 0.000 0.444 273 F N 3.300 123.104 119.950 -0.244 0.000 2.075 273 F HA -0.400 nan 4.527 nan 0.000 0.297 273 F C 0.817 176.551 175.800 -0.110 0.000 1.113 273 F CA 1.408 59.091 58.000 -0.528 0.000 1.218 273 F CB -0.136 38.663 39.000 -0.335 0.000 0.984 273 F HN -0.418 7.935 8.300 0.090 0.000 0.472 274 F N -1.379 118.239 119.950 -0.554 0.000 2.126 274 F HA -0.493 nan 4.527 nan 0.000 0.299 274 F C 2.389 177.954 175.800 -0.392 0.000 1.096 274 F CA 1.964 59.638 58.000 -0.544 0.000 1.255 274 F CB -1.399 37.428 39.000 -0.288 0.000 0.997 274 F HN 0.309 8.544 8.300 -0.108 0.000 0.479 275 N N -0.778 117.880 118.700 -0.071 0.000 2.120 275 N HA -0.329 nan 4.740 nan 0.000 0.188 275 N C 2.231 177.643 175.510 -0.165 0.000 1.024 275 N CA 3.134 56.115 53.050 -0.115 0.000 0.852 275 N CB -0.584 37.871 38.487 -0.053 0.000 1.003 275 N HN 0.062 8.427 8.380 -0.025 0.000 0.424 276 A N 0.569 123.288 122.820 -0.167 0.000 1.877 276 A HA -0.233 nan 4.320 nan 0.000 0.216 276 A C 1.961 179.439 177.584 -0.176 0.000 1.186 276 A CA 2.965 54.915 52.037 -0.145 0.000 0.620 276 A CB -0.719 18.137 19.000 -0.240 0.000 0.822 276 A HN -0.255 7.715 8.150 -0.181 0.071 0.443 277 F N -0.232 119.470 119.950 -0.414 0.000 2.095 277 F HA -0.473 nan 4.527 nan 0.000 0.298 277 F C 1.722 177.257 175.800 -0.442 0.000 1.104 277 F CA 3.928 61.699 58.000 -0.382 0.000 1.232 277 F CB 0.236 38.884 39.000 -0.587 0.000 0.987 277 F HN 0.331 8.364 8.300 -0.267 0.107 0.475 278 V N -1.238 118.334 119.914 -0.570 0.000 2.332 278 V HA -0.577 nan 4.120 nan 0.000 0.248 278 V C 1.845 177.563 176.094 -0.627 0.000 1.055 278 V CA 4.654 66.381 62.300 -0.955 0.000 1.038 278 V CB -1.002 30.209 31.823 -1.020 0.000 0.651 278 V HN 0.251 8.199 8.190 -0.404 0.000 0.450 279 E N -0.972 119.003 120.200 -0.374 0.000 2.106 279 E HA -0.374 nan 4.350 nan 0.000 0.192 279 E C 2.095 178.591 176.600 -0.172 0.000 0.984 279 E CA 3.152 59.421 56.400 -0.218 0.000 0.806 279 E CB -0.070 29.557 29.700 -0.121 0.000 0.750 279 E HN -0.321 7.841 8.360 -0.330 0.000 0.458 280 A N 0.137 122.837 122.820 -0.200 0.000 1.877 280 A HA -0.271 nan 4.320 nan 0.000 0.216 280 A C 2.382 179.862 177.584 -0.172 0.000 1.186 280 A CA 3.295 55.253 52.037 -0.133 0.000 0.620 280 A CB -0.746 18.183 19.000 -0.117 0.000 0.822 280 A HN 0.168 8.172 8.150 -0.244 0.000 0.443 281 M N -1.661 117.724 119.600 -0.358 0.000 2.108 281 M HA -0.404 nan 4.480 nan 0.000 0.261 281 M C 2.329 178.634 176.300 0.007 0.000 1.066 281 M CA 2.848 58.015 55.300 -0.221 0.000 1.107 281 M CB -1.087 31.340 32.600 -0.289 0.000 1.356 281 M HN 0.411 8.368 8.290 -0.556 0.000 0.406 282 D N -1.289 119.102 120.400 -0.015 0.000 2.224 282 D HA -0.180 nan 4.640 nan 0.000 0.205 282 D C 2.309 178.632 176.300 0.038 0.000 0.965 282 D CA 2.818 56.861 54.000 0.071 0.000 0.852 282 D CB -0.432 40.406 40.800 0.063 0.000 0.947 282 D HN -0.214 7.997 8.370 -0.137 0.077 0.494 283 R N -1.633 118.869 120.500 0.003 0.000 2.062 283 R HA -0.175 nan 4.340 nan 0.000 0.229 283 R C 2.599 178.910 176.300 0.018 0.000 1.128 283 R CA 1.994 58.099 56.100 0.009 0.000 0.960 283 R CB -0.171 30.135 30.300 0.011 0.000 0.855 283 R HN -0.420 7.728 8.270 -0.030 0.104 0.432 284 M N 1.199 120.819 119.600 0.033 0.000 2.108 284 M HA -0.251 nan 4.480 nan 0.000 0.261 284 M C 2.073 178.396 176.300 0.038 0.000 1.066 284 M CA 3.426 58.753 55.300 0.046 0.000 1.107 284 M CB -0.049 32.608 32.600 0.094 0.000 1.356 284 M HN 0.349 8.653 8.290 0.025 0.000 0.406 285 G N -3.917 104.939 108.800 0.094 0.000 2.559 285 G HA2 -0.269 nan 3.960 nan 0.000 0.216 285 G HA3 -0.269 nan 3.960 nan 0.000 0.216 285 G C 0.335 175.272 174.900 0.062 0.000 1.126 285 G CA 1.311 46.491 45.100 0.133 0.000 0.778 285 G HN 0.313 8.669 8.290 0.109 0.000 0.543 286 N N -0.387 118.329 118.700 0.027 0.000 2.230 286 N HA 0.055 nan 4.740 nan 0.000 0.202 286 N C -0.611 174.883 175.510 -0.026 0.000 1.119 286 N CA -0.578 52.472 53.050 0.000 0.000 0.851 286 N CB 1.009 39.495 38.487 -0.000 0.000 0.990 286 N HN -0.474 7.729 8.380 0.026 0.193 0.497 287 I N 1.416 121.962 120.570 -0.041 0.000 2.587 287 I HA -0.156 nan 4.170 nan 0.000 0.284 287 I C -0.085 175.989 176.117 -0.072 0.000 1.134 287 I CA 1.022 62.276 61.300 -0.077 0.000 1.410 287 I CB 0.235 38.161 38.000 -0.122 0.000 1.392 287 I HN -0.764 7.371 8.210 -0.029 0.058 0.545 288 T N 2.570 117.078 114.554 -0.077 0.000 2.797 288 T HA -0.196 nan 4.350 nan 0.000 0.451 288 T C -1.460 173.204 174.700 -0.060 0.000 0.776 288 T CA -1.096 60.960 62.100 -0.074 0.000 2.987 288 T CB -1.784 67.025 68.868 -0.098 0.000 1.333 288 T HN 0.386 8.578 8.240 -0.079 0.000 0.423 289 P HA 0.120 nan 4.420 nan 0.000 0.276 289 P C -1.789 175.489 177.300 -0.038 0.000 1.244 289 P CA -1.207 61.870 63.100 -0.039 0.000 0.801 289 P CB 1.256 32.930 31.700 -0.042 0.000 1.006 290 L N 0.273 121.478 121.223 -0.029 0.000 2.257 290 L HA 0.313 nan 4.340 nan 0.000 0.290 290 L C -0.664 176.185 176.870 -0.034 0.000 1.044 290 L CA -0.763 54.065 54.840 -0.021 0.000 0.810 290 L CB 0.217 42.274 42.059 -0.003 0.000 1.193 290 L HN 0.388 8.604 8.230 -0.024 0.000 0.425 291 T N -2.989 111.546 114.554 -0.032 0.000 2.864 291 T HA 0.491 nan 4.350 nan 0.000 0.289 291 T C 0.348 175.044 174.700 -0.008 0.000 1.082 291 T CA -2.442 59.633 62.100 -0.042 0.000 1.009 291 T CB 3.403 72.239 68.868 -0.054 0.000 1.234 291 T HN 0.005 8.231 8.240 -0.024 0.000 0.526 292 G N 1.976 110.782 108.800 0.011 0.000 2.601 292 G HA2 -0.475 nan 3.960 nan 0.000 0.306 292 G HA3 -0.475 nan 3.960 nan 0.000 0.306 292 G C -0.328 174.597 174.900 0.042 0.000 1.172 292 G CA 2.139 47.261 45.100 0.037 0.000 0.966 292 G HN 0.558 8.851 8.290 0.005 0.000 0.542 293 T N 1.102 115.674 114.554 0.030 0.000 3.085 293 T HA 0.201 nan 4.350 nan 0.000 0.264 293 T C 0.999 175.714 174.700 0.025 0.000 1.019 293 T CA -0.680 61.439 62.100 0.032 0.000 0.910 293 T CB -0.042 68.843 68.868 0.028 0.000 1.059 293 T HN 0.206 8.460 8.240 0.023 0.000 0.542 294 Q N 2.856 122.667 119.800 0.019 0.000 2.394 294 Q HA 0.024 nan 4.340 nan 0.000 0.248 294 Q C 0.816 176.828 176.000 0.020 0.000 0.992 294 Q CA 0.449 56.262 55.803 0.016 0.000 0.888 294 Q CB 0.916 29.659 28.738 0.008 0.000 1.257 294 Q HN -0.473 7.750 8.270 0.016 0.056 0.462 295 G N 0.015 108.830 108.800 0.024 0.000 2.682 295 G HA2 -0.403 nan 3.960 nan 0.000 0.256 295 G HA3 -0.403 nan 3.960 nan 0.000 0.256 295 G C -1.571 173.347 174.900 0.030 0.000 1.333 295 G CA 0.037 45.153 45.100 0.027 0.000 0.904 295 G HN 0.234 8.539 8.290 0.024 0.000 0.569 296 Q N -2.706 117.113 119.800 0.032 0.000 2.857 296 Q HA 0.570 nan 4.340 nan 0.000 0.319 296 Q C -1.207 174.820 176.000 0.044 0.000 0.963 296 Q CA -1.822 54.004 55.803 0.038 0.000 0.770 296 Q CB 3.695 32.453 28.738 0.034 0.000 1.492 296 Q HN 0.436 8.616 8.270 0.030 0.108 0.493 297 I N 0.274 120.874 120.570 0.050 0.000 2.371 297 I HA 0.142 nan 4.170 nan 0.000 0.282 297 I C -0.081 176.060 176.117 0.041 0.000 1.031 297 I CA -1.058 60.275 61.300 0.055 0.000 1.180 297 I CB 0.017 38.062 38.000 0.076 0.000 1.336 297 I HN 0.346 8.585 8.210 0.048 0.000 0.467 298 R N 6.872 127.392 120.500 0.035 0.000 2.679 298 R HA -0.067 nan 4.340 nan 0.000 0.268 298 R C 0.226 176.539 176.300 0.023 0.000 1.044 298 R CA 0.327 56.444 56.100 0.028 0.000 1.105 298 R CB 0.751 31.067 30.300 0.028 0.000 0.989 298 R HN -0.224 8.346 8.270 0.036 -0.278 0.447 299 L N 0.326 121.560 121.223 0.019 0.000 2.162 299 L HA -0.072 nan 4.340 nan 0.000 0.205 299 L C -0.122 176.755 176.870 0.011 0.000 1.086 299 L CA 1.728 56.576 54.840 0.013 0.000 0.778 299 L CB 0.480 42.545 42.059 0.011 0.000 0.928 299 L HN 0.475 8.717 8.230 0.020 0.000 0.446 300 N N -3.013 115.696 118.700 0.015 0.000 2.352 300 N HA 0.098 nan 4.740 nan 0.000 0.291 300 N C 0.218 175.741 175.510 0.022 0.000 1.040 300 N CA -0.831 52.228 53.050 0.016 0.000 0.864 300 N CB 2.235 40.729 38.487 0.012 0.000 1.440 300 N HN -0.490 7.900 8.380 0.017 0.000 0.483 301 c N 4.580 123.196 118.600 0.028 0.000 2.409 301 c HA -0.214 nan 4.570 nan 0.000 0.284 301 c C 1.615 175.725 174.090 0.034 0.000 1.354 301 c CA 2.086 58.437 56.329 0.037 0.000 1.787 301 c CB -0.735 41.807 42.510 0.053 0.000 1.900 301 c HN 0.883 9.129 8.230 0.027 0.000 0.520 302 R N -2.769 117.746 120.500 0.024 0.000 2.240 302 R HA -0.054 nan 4.340 nan 0.000 0.203 302 R C -0.989 175.325 176.300 0.023 0.000 1.011 302 R CA 1.779 57.885 56.100 0.011 0.000 1.007 302 R CB 0.526 30.821 30.300 -0.008 0.000 0.911 302 R HN -0.153 8.398 8.270 0.023 -0.267 0.468 303 V N -8.162 111.769 119.914 0.029 0.000 3.007 303 V HA 0.349 nan 4.120 nan 0.000 0.311 303 V C -1.557 174.566 176.094 0.049 0.000 1.120 303 V CA -2.086 60.239 62.300 0.041 0.000 0.980 303 V CB 3.118 34.950 31.823 0.014 0.000 1.033 303 V HN -0.717 7.450 8.190 0.025 0.038 0.429 304 V N 1.310 121.267 119.914 0.072 0.000 2.715 304 V HA -0.016 nan 4.120 nan 0.000 0.299 304 V C 0.090 176.207 176.094 0.039 0.000 1.054 304 V CA -0.085 62.254 62.300 0.065 0.000 1.077 304 V CB 0.344 32.228 31.823 0.102 0.000 0.972 304 V HN 0.156 8.401 8.190 0.092 0.000 0.484 305 N N 6.129 124.848 118.700 0.033 0.000 2.513 305 N HA -0.035 nan 4.740 nan 0.000 0.268 305 N C -1.412 174.111 175.510 0.022 0.000 1.180 305 N CA 0.900 53.964 53.050 0.024 0.000 0.948 305 N CB 0.880 39.381 38.487 0.024 0.000 1.083 305 N HN 0.617 9.438 8.380 0.035 -0.421 0.455 306 S N 0.000 115.709 115.700 0.014 0.000 2.498 306 S HA 0.000 nan 4.470 nan 0.000 0.327 306 S CA 0.000 58.207 58.200 0.011 0.000 1.107 306 S CB 0.000 63.202 63.200 0.003 0.000 0.593 306 S HN 0.000 8.317 8.310 0.011 0.000 0.517