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_D 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 0.616 42.631 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 2.895 117.445 114.554 -0.006 0.000 2.893 3 T HA 0.476 nan 4.350 nan 0.000 0.293 3 T C -1.322 173.399 174.700 0.035 0.000 1.027 3 T CA -2.613 59.509 62.100 0.036 0.000 0.988 3 T CB 1.790 70.702 68.868 0.074 0.000 1.043 3 T HN 0.021 8.233 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 64.525 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 -6.346 108.236 114.554 0.046 0.000 3.186 5 T HA 0.178 nan 4.350 nan 0.000 0.257 5 T C 1.438 176.146 174.700 0.014 0.000 1.029 5 T CA -1.079 61.040 62.100 0.033 0.000 0.916 5 T CB -0.672 68.203 68.868 0.011 0.000 1.041 5 T HN -0.519 7.702 8.240 0.047 0.047 0.562 6 F N 4.026 123.866 119.950 -0.183 0.000 2.147 6 F HA -0.480 nan 4.527 nan 0.000 0.301 6 F C -0.343 175.230 175.800 -0.380 0.000 1.084 6 F CA 3.946 61.740 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 -7.379 112.982 120.300 0.101 0.000 2.458 7 Y HA 0.059 nan 4.550 nan 0.000 0.256 7 Y C 0.826 176.711 175.900 -0.026 0.000 1.159 7 Y CA -1.146 56.965 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 -0.352 7.940 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 0.853 177.161 176.300 0.014 0.000 0.982 8 D CA 3.443 57.467 54.000 0.041 0.000 0.857 8 D CB -0.558 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 -2.796 115.896 118.700 -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 1.274 54.310 53.050 -0.022 0.000 0.887 9 N CB 0.935 39.393 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 -1.554 114.148 115.700 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 1.296 59.515 58.200 0.031 0.000 0.958 10 S CB 1.003 64.231 63.200 0.046 0.000 0.811 10 S HN -0.117 8.190 8.310 -0.005 0.000 0.489 11 c N 3.191 121.841 118.600 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 -2.313 54.032 56.329 0.026 0.000 1.242 11 c CB -0.035 42.447 42.510 -0.047 0.000 1.802 11 c HN 0.288 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 -3.113 115.580 118.700 -0.012 0.000 2.236 13 N HA 0.173 nan 4.740 nan 0.000 0.196 13 N C 1.602 177.086 175.510 -0.043 0.000 1.114 13 N CA 0.258 53.293 53.050 -0.025 0.000 0.859 13 N CB 0.453 38.924 38.487 -0.026 0.000 0.982 13 N HN -0.134 8.182 8.380 -0.016 0.055 0.493 14 V N -1.239 118.639 119.914 -0.060 0.000 2.250 14 V HA -0.546 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 4.581 66.823 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 -0.089 115.575 115.700 -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 4.078 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 2.056 177.540 175.510 -0.044 0.000 1.030 16 N CA 3.379 56.403 53.050 -0.042 0.000 0.849 16 N CB -0.071 38.397 38.487 -0.032 0.000 1.012 16 N HN -0.661 7.679 8.380 -0.044 0.014 0.423 17 I N 0.527 121.069 120.570 -0.048 0.000 2.163 17 I HA -0.538 nan 4.170 nan 0.000 0.243 17 I C 1.612 177.698 176.117 -0.051 0.000 1.085 17 I CA 4.590 65.861 61.300 -0.047 0.000 1.347 17 I CB -0.321 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 0.137 120.013 119.914 -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 66.883 62.300 -0.068 0.000 1.024 18 V CB -1.119 30.651 31.823 -0.087 0.000 0.648 18 V HN 0.314 8.462 8.190 -0.070 0.000 0.447 19 R N -0.687 119.775 120.500 -0.063 0.000 2.083 19 R HA -0.473 nan 4.340 nan 0.000 0.237 19 R C 1.737 178.013 176.300 -0.039 0.000 1.137 19 R CA 3.856 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 -1.595 118.784 120.400 -0.035 0.000 2.144 20 D HA -0.218 nan 4.640 nan 0.000 0.199 20 D C 2.507 178.793 176.300 -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 0.229 8.576 8.370 -0.038 0.000 0.465 21 T N 2.844 117.381 114.554 -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 66.893 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 -0.293 7.917 8.240 -0.034 0.009 0.435 22 I N 0.979 121.532 120.570 -0.029 0.000 2.202 22 I HA -0.467 nan 4.170 nan 0.000 0.242 22 I C 1.328 177.435 176.117 -0.016 0.000 1.091 22 I CA 4.570 65.855 61.300 -0.026 0.000 1.368 22 I CB -0.323 37.657 38.000 -0.033 0.000 1.058 22 I HN -0.290 7.825 8.210 -0.035 0.074 0.410 23 V N -0.229 119.676 119.914 -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 4.825 67.121 62.300 -0.007 0.000 1.042 23 V CB -1.074 30.745 31.823 -0.008 0.000 0.650 23 V HN 0.277 8.455 8.190 -0.020 0.000 0.450 24 N N -1.938 116.757 118.700 -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 56.522 53.050 -0.006 0.000 0.852 24 N CB 0.113 38.595 38.487 -0.008 0.000 1.018 24 N HN -0.329 8.045 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 -0.257 nan 4.350 nan 0.000 0.192 25 E C 2.483 179.079 176.600 -0.006 0.000 0.984 25 E CA 2.095 58.490 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 -0.455 7.817 8.360 -0.012 0.081 0.458 26 L N -1.503 119.717 121.223 -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 2.977 57.818 54.840 0.003 0.000 0.757 26 L CB -0.380 41.686 42.059 0.011 0.000 0.896 26 L HN 0.284 8.499 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 1.062 177.365 176.300 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 30.526 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 -2.986 112.716 115.700 0.003 0.000 2.497 28 S HA 0.047 nan 4.470 nan 0.000 0.221 28 S C -0.273 174.329 174.600 0.002 0.000 1.037 28 S CA 1.447 59.649 58.200 0.003 0.000 0.920 28 S CB 1.296 64.497 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 0.864 121.263 120.400 -0.002 0.000 2.375 29 D HA 0.471 nan 4.640 nan 0.000 0.259 29 D C -1.411 174.883 176.300 -0.010 0.000 1.235 29 D CA -2.746 51.250 54.000 -0.007 0.000 0.924 29 D CB 1.332 42.123 40.800 -0.014 0.000 1.143 29 D HN -0.040 8.224 8.370 -0.003 0.104 0.529 30 P HA -0.129 nan 4.420 nan 0.000 0.228 30 P C 0.244 177.534 177.300 -0.016 0.000 1.151 30 P CA 1.126 64.229 63.100 0.004 0.000 0.770 30 P CB 0.250 31.961 31.700 0.017 0.000 0.786 31 R N -1.973 118.506 120.500 -0.036 0.000 2.276 31 R HA -0.015 nan 4.340 nan 0.000 0.196 31 R C 1.390 177.619 176.300 -0.117 0.000 0.961 31 R CA 1.063 57.116 56.100 -0.078 0.000 1.024 31 R CB 0.275 30.544 30.300 -0.052 0.000 0.940 31 R HN -0.657 7.739 8.270 -0.025 -0.141 0.480 32 I N 0.455 120.977 120.570 -0.081 0.000 2.236 32 I HA -0.485 nan 4.170 nan 0.000 0.249 32 I C 0.275 176.328 176.117 -0.108 0.000 1.102 32 I CA 1.947 63.195 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 -0.215 7.807 8.210 -0.053 0.156 0.420 33 A N -2.061 120.698 122.820 -0.101 0.000 1.902 33 A HA -0.325 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 0.189 8.289 8.150 -0.082 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 3.003 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 -0.395 7.444 8.150 -0.520 0.000 0.443 35 S N -0.329 115.238 115.700 -0.222 0.000 2.359 35 S HA -0.355 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 -0.319 62.790 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 1.351 121.854 120.570 -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 3.767 65.026 61.300 -0.068 0.000 1.374 36 I CB -0.121 37.844 38.000 -0.059 0.000 1.057 36 I HN -0.113 8.024 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 58.359 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 7.851 8.230 0.025 0.000 0.432 38 R N -1.126 119.422 120.500 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 3.547 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 -0.354 7.930 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 1.819 178.749 176.870 0.100 0.000 1.077 39 L CA 3.240 58.057 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 -0.209 7.898 8.230 -0.066 0.084 0.432 40 H N 0.301 119.405 119.070 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 3.799 59.907 56.048 0.101 0.000 1.319 40 H CB 0.711 30.531 29.762 0.096 0.000 1.379 40 H HN -0.495 7.920 8.280 0.224 0.000 0.501 41 F N 0.662 120.590 119.950 -0.038 0.000 2.069 41 F HA -0.459 nan 4.527 nan 0.000 0.298 41 F C 1.501 177.308 175.800 0.013 0.000 1.113 41 F CA 2.862 60.811 58.000 -0.085 0.000 1.214 41 F CB -0.590 38.366 39.000 -0.073 0.000 0.978 41 F HN -0.266 8.238 8.300 0.339 0.000 0.474 42 H N -2.451 116.346 119.070 -0.455 0.000 2.491 42 H HA -0.318 nan 4.556 nan 0.000 0.290 42 H C 1.786 176.993 175.328 -0.203 0.000 1.050 42 H CA 2.065 57.816 56.048 -0.494 0.000 1.309 42 H CB 0.061 29.645 29.762 -0.298 0.000 1.392 42 H HN -0.002 8.268 8.280 -0.017 0.000 0.554 43 D N -0.739 119.673 120.400 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 0.007 118.576 118.600 -0.052 0.000 2.422 44 c HA -0.242 nan 4.570 nan 0.000 0.279 44 c C 2.503 176.617 174.090 0.041 0.000 1.305 44 c CA 3.752 60.064 56.329 -0.029 0.000 1.757 44 c CB -1.284 41.171 42.510 -0.092 0.000 1.962 44 c HN 0.126 8.285 8.230 -0.119 0.000 0.499 45 F N -2.070 117.758 119.950 -0.204 0.000 2.661 45 F HA -0.100 nan 4.527 nan 0.000 0.298 45 F C -0.264 175.423 175.800 -0.190 0.000 1.137 45 F CA 1.909 59.776 58.000 -0.221 0.000 1.454 45 F CB 0.393 39.193 39.000 -0.333 0.000 1.103 45 F HN -0.659 7.716 8.300 0.160 0.020 0.577 46 V N 0.978 120.883 119.914 -0.015 0.000 2.284 46 V HA 0.065 nan 4.120 nan 0.000 0.274 46 V C -1.118 174.928 176.094 -0.080 0.000 1.023 46 V CA -1.664 60.609 62.300 -0.045 0.000 0.808 46 V CB -1.258 30.567 31.823 0.004 0.000 1.035 46 V HN -0.660 7.480 8.190 0.002 0.051 0.445 47 N N 2.685 121.270 118.700 -0.193 0.000 2.741 47 N HA -0.323 nan 4.740 nan 0.000 0.250 47 N C -0.062 175.358 175.510 -0.149 0.000 1.115 47 N CA 0.853 53.743 53.050 -0.268 0.000 0.724 47 N CB -0.354 37.804 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 -4.748 103.984 108.800 -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 -0.633 174.250 174.900 -0.027 0.000 1.370 48 G CA -0.352 44.703 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 2.808 121.401 118.600 -0.011 0.000 2.311 49 c HA 0.009 nan 4.570 nan 0.000 0.357 49 c C -0.324 173.793 174.090 0.046 0.000 1.086 49 c CA -0.980 55.367 56.329 0.031 0.000 1.486 49 c CB -2.746 39.809 42.510 0.076 0.000 1.974 49 c HN 0.164 8.383 8.230 -0.018 0.000 0.508 50 D N 1.297 121.729 120.400 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 52.545 54.000 0.055 0.000 0.807 50 D CB -0.112 40.728 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 -1.877 120.987 122.820 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 53.594 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 -0.957 114.772 115.700 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 8.610 8.310 0.078 -0.339 0.480 53 I N 0.241 120.842 120.570 0.053 0.000 2.700 53 I HA -0.301 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 1.817 63.168 61.300 0.086 0.000 1.463 53 I CB -0.087 38.007 38.000 0.156 0.000 1.092 53 I HN -0.755 7.483 8.210 0.077 0.018 0.452 54 L N -3.758 117.518 121.223 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 0.044 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 -0.961 120.250 121.223 -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 0.248 55.096 54.840 0.014 0.000 0.845 55 L CB 0.163 42.245 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 3.426 123.830 120.400 0.006 0.000 2.388 56 D HA 0.053 nan 4.640 nan 0.000 0.254 56 D C -1.056 175.242 176.300 -0.003 0.000 1.111 56 D CA -0.629 53.347 54.000 -0.039 0.000 0.993 56 D CB 1.324 42.083 40.800 -0.068 0.000 1.118 56 D HN -0.183 8.200 8.370 0.022 0.000 0.502 57 N N -1.579 117.090 118.700 -0.052 0.000 2.345 57 N HA -0.151 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 54.292 53.050 -0.104 0.000 0.863 57 N CB 0.551 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 -0.512 61.295 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 8.194 8.240 -0.444 0.000 0.523 59 T N -5.719 108.661 114.554 -0.290 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 63.298 62.100 -0.190 0.000 1.103 59 T CB -0.293 68.498 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 2.157 117.679 115.700 -0.296 0.000 2.486 60 S HA -0.001 nan 4.470 nan 0.000 0.220 60 S C -0.754 173.790 174.600 -0.092 0.000 1.011 60 S CA 0.803 58.899 58.200 -0.174 0.000 0.921 60 S CB 1.174 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 -1.326 118.581 119.950 -0.072 0.000 2.665 61 F HA 0.204 nan 4.527 nan 0.000 0.308 61 F C -2.229 173.514 175.800 -0.094 0.000 1.112 61 F CA -1.282 56.663 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 7.133 8.300 -0.740 0.102 0.440 62 R N 0.560 121.168 120.500 0.179 0.000 2.441 62 R HA 0.291 nan 4.340 nan 0.000 0.284 62 R C -0.245 176.135 176.300 0.134 0.000 1.070 62 R CA -0.963 55.189 56.100 0.088 0.000 1.047 62 R CB 0.510 30.829 30.300 0.032 0.000 1.016 62 R HN 0.327 8.702 8.270 0.174 0.000 0.477 63 T N 2.371 116.964 114.554 0.066 0.000 2.919 63 T HA 0.095 nan 4.350 nan 0.000 0.302 63 T C 1.459 176.145 174.700 -0.024 0.000 1.031 63 T CA -0.589 61.527 62.100 0.027 0.000 1.127 63 T CB 1.021 69.873 68.868 -0.026 0.000 0.952 63 T HN -0.078 8.468 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 2.085 178.675 176.600 -0.018 0.000 1.026 64 E CA 2.697 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 0.717 9.046 8.360 -0.051 0.000 0.518 65 K N -1.209 119.171 120.400 -0.034 0.000 2.360 65 K HA -0.279 nan 4.320 nan 0.000 0.201 65 K C 0.659 177.266 176.600 0.011 0.000 1.046 65 K CA 2.307 58.585 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 -0.582 7.579 8.250 -0.063 0.052 0.464 66 D N -3.479 116.908 120.400 -0.022 0.000 2.339 66 D HA 0.074 nan 4.640 nan 0.000 0.217 66 D C -0.154 176.094 176.300 -0.087 0.000 1.050 66 D CA -0.208 53.778 54.000 -0.024 0.000 0.856 66 D CB 0.360 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 -0.081 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 -0.233 0.000 0.774 67 A CB 0.732 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 0.847 120.837 119.950 0.067 0.000 2.161 68 F HA -0.342 nan 4.527 nan 0.000 0.300 68 F C 1.469 177.328 175.800 0.098 0.000 1.089 68 F CA 2.350 60.408 58.000 0.097 0.000 1.282 68 F CB -0.467 38.602 39.000 0.115 0.000 1.010 68 F HN 0.583 8.848 8.300 -0.656 -0.359 0.485 69 G N -4.651 104.258 108.800 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 -0.733 174.282 174.900 0.193 0.000 1.165 69 G CA -0.207 44.961 45.100 0.114 0.000 0.776 69 G HN 0.304 8.656 8.290 0.102 0.000 0.541 70 N N 0.434 119.240 118.700 0.176 0.000 2.516 70 N HA 0.073 nan 4.740 nan 0.000 0.197 70 N C -0.579 175.056 175.510 0.209 0.000 1.064 70 N CA -0.092 53.092 53.050 0.223 0.000 0.866 70 N CB 1.869 40.468 38.487 0.185 0.000 1.255 70 N HN -0.357 7.911 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 -0.403 18.703 19.000 0.175 0.000 0.979 71 A HN 0.109 8.360 8.150 0.167 0.000 0.508 72 N N 1.325 120.122 118.700 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 1.603 54.744 53.050 0.152 0.000 0.735 72 N CB -1.722 36.842 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 -3.024 112.793 115.700 0.196 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 0.677 58.998 58.200 0.201 0.000 1.110 73 S CB 2.042 65.398 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 2.553 125.470 122.820 0.161 0.000 2.498 74 A HA -0.064 nan 4.320 nan 0.000 0.239 74 A C -1.515 176.105 177.584 0.060 0.000 1.068 74 A CA 0.865 52.958 52.037 0.093 0.000 0.766 74 A CB 0.349 19.489 19.000 0.233 0.000 1.003 74 A HN -0.191 7.973 8.150 0.208 0.110 0.497 75 R N 2.113 122.494 120.500 -0.198 0.000 2.733 75 R HA 0.127 nan 4.340 nan 0.000 0.272 75 R C -0.878 175.149 176.300 -0.456 0.000 1.029 75 R CA -1.187 54.782 56.100 -0.219 0.000 0.888 75 R CB 1.485 31.751 30.300 -0.056 0.000 1.251 75 R HN -0.014 8.089 8.270 -0.279 0.000 0.464 76 G N -2.882 105.724 108.800 -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 0.053 174.813 174.900 -0.233 0.000 0.999 76 G CA 0.017 44.954 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 -0.203 nan 4.527 nan 0.000 0.299 77 F C -0.850 174.954 175.800 0.006 0.000 1.103 77 F CA 4.118 62.124 58.000 0.011 0.000 1.228 77 F CB -2.395 36.614 39.000 0.015 0.000 0.984 77 F HN -0.054 7.926 8.300 -0.448 0.052 0.477 78 P HA -0.191 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 -1.600 118.331 119.914 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 4.045 66.346 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 -0.539 120.041 120.570 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 2.164 63.479 61.300 0.025 0.000 1.385 80 I CB -1.850 36.185 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 -0.035 120.396 120.400 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 3.817 57.840 54.000 0.039 0.000 0.833 81 D CB -0.602 40.226 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 -0.322 120.187 120.500 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 0.141 30.442 30.300 0.002 0.000 0.850 82 R HN -0.161 8.051 8.270 0.022 0.071 0.433 83 M N -2.712 116.881 119.600 -0.011 0.000 2.229 83 M HA -0.171 nan 4.480 nan 0.000 0.264 83 M C 1.792 178.076 176.300 -0.027 0.000 1.063 83 M CA 3.448 58.733 55.300 -0.024 0.000 1.114 83 M CB -0.283 32.297 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 0.694 121.085 120.400 -0.016 0.000 2.057 84 K HA -0.295 nan 4.320 nan 0.000 0.206 84 K C 1.806 178.395 176.600 -0.018 0.000 1.050 84 K CA 2.419 58.695 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 0.140 8.297 8.250 -0.006 0.089 0.439 85 A N -1.690 121.124 122.820 -0.010 0.000 1.902 85 A HA -0.241 nan 4.320 nan 0.000 0.217 85 A C 1.975 179.549 177.584 -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 -2.502 120.305 122.820 -0.020 0.000 1.902 86 A HA -0.248 nan 4.320 nan 0.000 0.217 86 A C 1.987 179.551 177.584 -0.034 0.000 1.181 86 A CA 3.119 55.141 52.037 -0.025 0.000 0.623 86 A CB -0.421 18.563 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 -3.544 116.344 119.914 -0.045 0.000 2.719 87 V HA -0.218 nan 4.120 nan 0.000 0.252 87 V C 1.600 177.663 176.094 -0.052 0.000 1.065 87 V CA 3.101 65.364 62.300 -0.061 0.000 1.086 87 V CB -0.815 30.951 31.823 -0.096 0.000 0.700 87 V HN 0.125 8.217 8.190 -0.043 0.073 0.467 88 E N 1.258 121.435 120.200 -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 58.892 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 0.323 8.577 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 1.358 175.947 174.600 -0.019 0.000 1.027 89 S CA 2.144 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 -0.139 122.665 122.820 -0.027 0.000 1.935 90 A HA -0.040 nan 4.320 nan 0.000 0.214 90 A C -0.383 177.185 177.584 -0.027 0.000 1.178 90 A CA 1.533 53.553 52.037 -0.028 0.000 0.640 90 A CB 1.214 20.193 19.000 -0.035 0.000 0.825 90 A HN -0.548 7.492 8.150 -0.032 0.092 0.447 91 c N -1.243 117.336 118.600 -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 -2.684 53.627 56.329 -0.030 0.000 1.431 91 c CB -1.040 41.439 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 -0.732 176.571 177.300 0.005 0.000 1.175 92 P CA 1.079 64.176 63.100 -0.005 0.000 0.761 92 P CB 0.162 31.862 31.700 -0.001 0.000 0.794 93 R N 0.202 120.707 120.500 0.008 0.000 3.610 93 R HA -0.433 nan 4.340 nan 0.000 0.274 93 R C -0.139 176.187 176.300 0.043 0.000 1.123 93 R CA 1.647 57.761 56.100 0.024 0.000 0.747 93 R CB -2.790 27.526 30.300 0.026 0.000 1.149 93 R HN 0.704 9.336 8.270 0.003 -0.361 0.471 94 T N -6.460 108.114 114.554 0.034 0.000 2.987 94 T HA 0.158 nan 4.350 nan 0.000 0.248 94 T C -0.175 174.594 174.700 0.115 0.000 0.997 94 T CA 0.612 62.765 62.100 0.087 0.000 1.013 94 T CB 2.108 71.030 68.868 0.090 0.000 1.077 94 T HN -0.526 7.695 8.240 0.002 0.019 0.483 95 V N 4.806 124.688 119.914 -0.055 0.000 2.383 95 V HA 0.330 nan 4.120 nan 0.000 0.275 95 V C -1.237 174.851 176.094 -0.011 0.000 1.036 95 V CA -1.748 60.455 62.300 -0.162 0.000 0.889 95 V CB -0.387 31.171 31.823 -0.443 0.000 0.985 95 V HN -0.114 8.029 8.190 -0.078 0.000 0.459 96 S N 4.908 120.660 115.700 0.086 0.000 2.593 96 S HA 0.245 nan 4.470 nan 0.000 0.269 96 S C 1.390 176.009 174.600 0.033 0.000 1.334 96 S CA -0.338 57.901 58.200 0.064 0.000 1.015 96 S CB 1.467 64.716 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 1.820 120.439 118.600 0.032 0.000 2.435 97 c HA -0.199 nan 4.570 nan 0.000 0.279 97 c C 1.879 175.996 174.090 0.045 0.000 1.321 97 c CA 3.760 60.108 56.329 0.032 0.000 1.752 97 c CB -2.032 40.503 42.510 0.041 0.000 1.959 97 c HN 0.578 9.171 8.230 0.035 -0.342 0.500 98 A N 0.276 123.128 122.820 0.053 0.000 1.883 98 A HA -0.364 nan 4.320 nan 0.000 0.217 98 A C 1.734 179.355 177.584 0.062 0.000 1.186 98 A CA 3.635 55.712 52.037 0.067 0.000 0.624 98 A CB -0.954 18.078 19.000 0.053 0.000 0.822 98 A HN 0.450 8.896 8.150 0.048 -0.268 0.444 99 D N -0.664 119.767 120.400 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 3.099 57.133 54.000 0.058 0.000 0.828 99 D CB -0.206 40.703 40.800 0.182 0.000 0.967 99 D HN -0.665 7.740 8.370 0.059 0.000 0.464 100 L N 0.286 121.502 121.223 -0.011 0.000 2.042 100 L HA -0.276 nan 4.340 nan 0.000 0.210 100 L C 1.801 178.636 176.870 -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 -0.118 8.115 8.230 0.005 0.000 0.432 101 L N -2.841 118.366 121.223 -0.025 0.000 2.156 101 L HA -0.262 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 41.412 42.059 0.079 0.000 0.914 101 L HN -0.014 8.221 8.230 0.009 0.000 0.439 102 T N 3.218 117.633 114.554 -0.231 0.000 2.701 102 T HA -0.349 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 67.086 62.100 -0.523 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 1.076 121.507 120.570 -0.231 0.000 2.208 103 I HA -0.558 nan 4.170 nan 0.000 0.245 103 I C 1.342 177.320 176.117 -0.232 0.000 1.097 103 I CA 4.199 65.363 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 -1.078 121.633 122.820 -0.181 0.000 1.908 104 A HA -0.375 nan 4.320 nan 0.000 0.218 104 A C 1.769 179.264 177.584 -0.148 0.000 1.181 104 A CA 3.294 55.246 52.037 -0.141 0.000 0.627 104 A CB -1.145 17.796 19.000 -0.098 0.000 0.818 104 A HN 0.190 8.243 8.150 -0.162 0.000 0.445 105 A N -1.731 120.975 122.820 -0.189 0.000 1.902 105 A HA -0.346 nan 4.320 nan 0.000 0.217 105 A C 2.011 179.511 177.584 -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 17.855 19.000 -0.150 0.000 0.818 105 A HN -0.195 7.802 8.150 -0.255 0.000 0.443 106 Q N -1.221 118.394 119.800 -0.309 0.000 2.050 106 Q HA -0.355 nan 4.340 nan 0.000 0.202 106 Q C 2.358 178.122 176.000 -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 27.908 28.738 -0.942 0.000 0.898 106 Q HN -0.364 7.689 8.270 -0.362 0.000 0.424 107 Q N -1.300 118.328 119.800 -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 2.739 58.426 55.803 -0.192 0.000 0.850 107 Q CB -0.406 28.242 28.738 -0.150 0.000 0.901 107 Q HN 0.250 8.350 8.270 -0.283 0.000 0.429 108 S N 0.944 116.597 115.700 -0.077 0.000 2.382 108 S HA -0.345 nan 4.470 nan 0.000 0.228 108 S C 2.361 176.984 174.600 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 63.088 63.200 0.051 0.000 0.823 108 S HN 0.111 8.364 8.310 -0.096 0.000 0.469 109 V N 1.698 121.565 119.914 -0.078 0.000 2.307 109 V HA -0.410 nan 4.120 nan 0.000 0.245 109 V C 1.928 177.816 176.094 -0.344 0.000 1.045 109 V CA 4.796 66.883 62.300 -0.355 0.000 1.024 109 V CB -0.678 30.855 31.823 -0.482 0.000 0.651 109 V HN -0.388 7.652 8.190 -0.087 0.098 0.449 110 T N 2.507 116.935 114.554 -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 4.901 66.916 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 0.235 121.431 121.223 -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 -0.374 41.690 42.059 0.008 0.000 0.914 111 L HN 0.336 8.528 8.230 -0.062 0.000 0.441 112 A N -3.830 119.036 122.820 0.077 0.000 2.307 112 A HA 0.208 nan 4.320 nan 0.000 0.218 112 A C -0.184 177.471 177.584 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 -3.608 105.225 108.800 0.056 0.000 2.144 113 G HA2 -0.288 nan 3.960 nan 0.000 0.218 113 G HA3 -0.288 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 1.761 110.469 108.800 -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 -2.150 172.389 174.900 -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 -0.195 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 -0.180 62.693 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 -0.419 115.366 115.700 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 0.344 0.000 1.110 116 S CA -1.255 57.060 58.200 0.191 0.000 1.034 116 S CB 0.774 64.012 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 -2.626 173.862 176.519 -0.051 0.000 1.243 117 W CA -0.874 56.435 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 1.879 122.388 120.500 0.014 0.000 2.229 118 R HA 0.228 nan 4.340 nan 0.000 0.332 118 R C -0.938 175.302 176.300 -0.101 0.000 0.989 118 R CA -0.746 55.281 56.100 -0.122 0.000 0.842 118 R CB 0.425 30.718 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 -4.252 57.984 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 0.112 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 0.571 63.677 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 0.601 121.770 121.223 -0.089 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 53.792 54.840 -0.197 0.000 0.856 121 L CB 3.535 45.532 42.059 -0.103 0.000 1.443 121 L HN 0.257 8.364 8.230 -0.073 0.079 0.427 122 G N -3.494 104.773 108.800 -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 -1.107 173.422 174.900 -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 -0.668 119.647 120.500 -0.308 0.000 2.637 123 R HA 0.302 nan 4.340 nan 0.000 0.269 123 R C -0.332 175.919 176.300 -0.081 0.000 1.089 123 R CA 0.131 56.147 56.100 -0.140 0.000 1.177 123 R CB 0.828 31.096 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 -1.082 119.397 120.500 -0.035 0.000 2.888 124 R HA 0.603 nan 4.340 nan 0.000 0.266 124 R C -1.041 175.271 176.300 0.019 0.000 1.020 124 R CA -1.171 54.931 56.100 0.003 0.000 0.963 124 R CB 3.469 33.774 30.300 0.008 0.000 1.197 124 R HN 0.384 8.633 8.270 -0.036 0.000 0.481 125 D N 1.042 121.460 120.400 0.029 0.000 2.256 125 D HA 0.341 nan 4.640 nan 0.000 0.250 125 D C 0.448 176.764 176.300 0.026 0.000 1.093 125 D CA -0.476 53.542 54.000 0.030 0.000 0.882 125 D CB 1.179 41.997 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 2.421 118.136 115.700 0.026 0.000 2.589 126 S HA 0.045 nan 4.470 nan 0.000 0.265 126 S C 0.741 175.321 174.600 -0.033 0.000 1.342 126 S CA 0.619 58.833 58.200 0.024 0.000 1.005 126 S CB 1.179 64.419 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 -1.509 119.685 121.223 -0.048 0.000 2.554 127 L HA 0.107 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 0.574 55.379 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 -5.811 113.666 119.800 -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 -1.020 0.000 1.486 128 Q HN -0.995 6.982 8.270 -0.418 0.042 0.422 129 A N -0.716 120.956 122.820 -1.913 0.000 2.312 129 A HA 0.369 nan 4.320 nan 0.000 0.328 129 A C -0.639 176.277 177.584 -1.114 0.000 1.158 129 A CA -1.056 50.298 52.037 -1.139 0.000 0.821 129 A CB 1.801 20.479 19.000 -0.536 0.000 1.170 129 A HN 0.202 6.620 8.150 -2.887 0.000 0.490 130 F N 1.250 121.094 119.950 -0.177 0.000 2.371 130 F HA 0.251 nan 4.527 nan 0.000 0.343 130 F C -0.199 175.549 175.800 -0.086 0.000 1.150 130 F CA -1.437 56.493 58.000 -0.116 0.000 1.220 130 F CB -0.788 38.148 39.000 -0.107 0.000 1.475 130 F HN 0.221 8.702 8.300 -0.251 -0.331 0.521 131 L N 3.350 124.585 121.223 0.020 0.000 2.012 131 L HA -0.372 nan 4.340 nan 0.000 0.210 131 L C 0.664 177.513 176.870 -0.034 0.000 1.073 131 L CA 3.980 58.804 54.840 -0.025 0.000 0.748 131 L CB -0.028 42.004 42.059 -0.045 0.000 0.891 131 L HN -0.015 8.203 8.230 -0.020 0.000 0.431 132 D N -1.155 119.248 120.400 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 3.695 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 2.371 57.220 54.840 0.016 0.000 0.747 133 L CB -0.381 41.675 42.059 -0.005 0.000 0.896 133 L HN -0.419 7.861 8.230 0.083 0.000 0.432 134 A N -1.122 121.698 122.820 0.001 0.000 1.902 134 A HA -0.409 nan 4.320 nan 0.000 0.217 134 A C 2.056 179.607 177.584 -0.054 0.000 1.181 134 A CA 3.389 55.399 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 0.368 8.465 8.150 0.030 0.071 0.443 135 N N -1.348 117.313 118.700 -0.064 0.000 2.223 135 N HA -0.267 nan 4.740 nan 0.000 0.185 135 N C 1.815 177.393 175.510 0.114 0.000 1.016 135 N CA 2.533 55.572 53.050 -0.019 0.000 0.863 135 N CB -0.309 38.109 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 -1.536 121.332 122.820 0.081 0.000 2.021 136 A HA -0.009 nan 4.320 nan 0.000 0.216 136 A C 1.048 178.700 177.584 0.113 0.000 1.163 136 A CA 1.899 54.001 52.037 0.109 0.000 0.676 136 A CB 0.292 19.334 19.000 0.071 0.000 0.818 136 A HN -0.307 7.749 8.150 0.041 0.118 0.453 137 N N -3.461 115.281 118.700 0.070 0.000 2.409 137 N HA 0.131 nan 4.740 nan 0.000 0.174 137 N C -0.171 175.413 175.510 0.124 0.000 1.037 137 N CA 0.555 53.658 53.050 0.088 0.000 0.898 137 N CB 1.317 39.823 38.487 0.030 0.000 1.010 137 N HN -0.256 8.053 8.380 0.036 0.092 0.445 138 L N 1.247 122.469 121.223 -0.001 0.000 2.360 138 L HA 0.137 nan 4.340 nan 0.000 0.276 138 L C -1.502 175.304 176.870 -0.106 0.000 1.121 138 L CA -1.314 53.434 54.840 -0.153 0.000 0.845 138 L CB -0.446 41.395 42.059 -0.363 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 -0.447 0.000 0.793 139 P CB 1.044 32.712 31.700 -0.053 0.000 0.977 140 A N -0.687 121.112 122.820 -1.701 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 -0.927 0.000 1.119 140 A CA -2.712 48.621 52.037 -1.173 0.000 0.790 140 A CB 0.886 19.063 19.000 -1.373 0.000 1.273 140 A HN 0.063 6.128 8.150 -3.475 0.000 0.452 141 P HA -0.143 nan 4.420 nan 0.000 0.219 141 P C -0.085 177.237 177.300 0.036 0.000 1.146 141 P CA 2.279 65.306 63.100 -0.122 0.000 0.808 141 P CB 0.054 31.751 31.700 -0.004 0.000 0.779 142 F N -7.394 112.664 119.950 0.180 0.000 2.773 142 F HA 0.115 nan 4.527 nan 0.000 0.304 142 F C -1.074 174.972 175.800 0.409 0.000 1.129 142 F CA -1.734 56.429 58.000 0.271 0.000 1.378 142 F CB -0.794 38.344 39.000 0.230 0.000 1.095 142 F HN -0.513 7.355 8.300 -0.659 0.036 0.565 143 F N 2.138 122.024 119.950 -0.107 0.000 2.459 143 F HA -0.070 nan 4.527 nan 0.000 0.346 143 F C 0.229 176.097 175.800 0.113 0.000 1.128 143 F CA -1.011 57.001 58.000 0.019 0.000 1.268 143 F CB 0.478 39.459 39.000 -0.031 0.000 1.161 143 F HN -0.647 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 -2.043 60.167 62.100 0.184 0.000 0.972 144 T CB 2.231 71.168 68.868 0.116 0.000 1.039 144 T HN 0.230 8.894 8.240 0.144 -0.337 0.530 145 L N 0.315 121.615 121.223 0.128 0.000 2.012 145 L HA -0.039 nan 4.340 nan 0.000 0.210 145 L C -0.898 176.022 176.870 0.085 0.000 1.073 145 L CA 4.358 59.260 54.840 0.102 0.000 0.748 145 L CB -2.359 39.743 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 2.032 179.364 177.300 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 -1.673 118.150 119.800 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 3.316 59.107 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 0.292 0.000 2.017 148 L HA -0.437 nan 4.340 nan 0.000 0.208 148 L C 1.897 178.942 176.870 0.292 0.000 1.073 148 L CA 3.441 58.498 54.840 0.363 0.000 0.745 148 L CB -0.464 41.720 42.059 0.207 0.000 0.894 148 L HN 0.235 8.530 8.230 0.231 0.074 0.432 149 K N -1.361 119.133 120.400 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 3.109 57.193 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 7.994 8.370 0.140 0.182 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 2.354 177.187 174.600 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 8.209 8.310 0.336 0.080 0.459 152 F N 0.634 120.728 119.950 0.241 0.000 2.206 152 F HA -0.196 nan 4.527 nan 0.000 0.298 152 F C 1.702 177.509 175.800 0.012 0.000 1.090 152 F CA 3.055 61.163 58.000 0.180 0.000 1.323 152 F CB -0.070 39.068 39.000 0.230 0.000 1.028 152 F HN -0.174 8.598 8.300 0.787 0.000 0.492 153 R N -0.533 120.103 120.500 0.225 0.000 2.096 153 R HA -0.434 nan 4.340 nan 0.000 0.235 153 R C 2.733 179.040 176.300 0.011 0.000 1.127 153 R CA 3.404 59.563 56.100 0.099 0.000 0.968 153 R CB -0.417 29.940 30.300 0.095 0.000 0.861 153 R HN -0.010 8.434 8.270 0.290 0.000 0.440 154 N N -0.211 118.493 118.700 0.008 0.000 2.192 154 N HA -0.230 nan 4.740 nan 0.000 0.188 154 N C 1.051 176.479 175.510 -0.136 0.000 1.013 154 N CA 2.965 55.988 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 -0.109 8.303 8.380 0.067 0.009 0.430 155 V N -8.856 110.905 119.914 -0.255 0.000 3.542 155 V HA 0.413 nan 4.120 nan 0.000 0.296 155 V C 0.081 176.015 176.094 -0.266 0.000 1.364 155 V CA -1.729 60.350 62.300 -0.367 0.000 1.118 155 V CB -0.733 30.622 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 -0.709 107.998 108.800 -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 -0.281 174.595 174.900 -0.039 0.000 0.986 156 G CA 0.092 45.139 45.100 -0.088 0.000 0.643 156 G HN -0.086 7.918 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 -1.184 175.788 176.870 0.171 0.000 1.236 157 L CA -0.616 54.289 54.840 0.109 0.000 1.144 157 L CB -1.548 40.644 42.059 0.221 0.000 1.379 157 L HN -0.160 7.964 8.230 -0.098 0.047 0.414 158 N N 0.927 119.686 118.700 0.097 0.000 2.383 158 N HA -0.052 nan 4.740 nan 0.000 0.192 158 N C -0.050 175.508 175.510 0.080 0.000 1.141 158 N CA 0.065 53.168 53.050 0.087 0.000 0.851 158 N CB 0.140 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 0.199 120.754 120.500 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 1.688 32.029 30.300 0.068 0.000 1.127 159 R HN -0.486 8.085 8.270 0.115 -0.232 0.473 160 S N 3.865 119.590 115.700 0.041 0.000 2.399 160 S HA -0.372 nan 4.470 nan 0.000 0.231 160 S C 1.446 176.076 174.600 0.050 0.000 1.022 160 S CA 3.336 61.549 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 0.489 116.240 115.700 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 61.351 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 0.155 8.502 8.310 0.071 0.006 0.480 162 D N 3.151 123.639 120.400 0.147 0.000 2.092 162 D HA -0.266 nan 4.640 nan 0.000 0.193 162 D C 1.913 178.310 176.300 0.162 0.000 0.994 162 D CA 2.970 57.085 54.000 0.191 0.000 0.828 162 D CB -0.412 40.547 40.800 0.263 0.000 0.963 162 D HN -0.568 7.756 8.370 0.123 0.120 0.450 163 L N -0.413 120.776 121.223 -0.058 0.000 2.056 163 L HA -0.202 nan 4.340 nan 0.000 0.207 163 L C 1.810 178.628 176.870 -0.087 0.000 1.078 163 L CA 3.176 57.758 54.840 -0.430 0.000 0.749 163 L CB -0.038 41.693 42.059 -0.547 0.000 0.901 163 L HN -0.724 7.494 8.230 -0.020 0.000 0.433 164 V N -1.197 118.778 119.914 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 4.457 66.939 62.300 0.304 0.000 1.036 164 V CB -1.485 30.479 31.823 0.235 0.000 0.664 164 V HN 0.117 8.358 8.190 0.084 0.000 0.453 165 A N -0.245 122.896 122.820 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 -0.656 18.519 19.000 0.292 0.000 0.823 165 A HN 0.295 8.583 8.150 0.421 0.115 0.442 166 L N -2.969 118.420 121.223 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 0.184 115.867 115.700 -0.029 0.000 2.474 167 S HA -0.188 nan 4.470 nan 0.000 0.235 167 S C 2.068 176.240 174.600 -0.714 0.000 0.997 167 S CA 3.576 61.585 58.200 -0.319 0.000 0.949 167 S CB -0.839 62.326 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 -0.003 108.580 108.800 -0.361 0.000 2.586 168 G HA2 -0.156 nan 3.960 nan 0.000 0.215 168 G HA3 -0.156 nan 3.960 nan 0.000 0.215 168 G C 0.760 175.298 174.900 -0.603 0.000 1.128 168 G CA 0.900 45.598 45.100 -0.670 0.000 0.774 168 G HN -0.018 8.194 8.290 0.130 0.156 0.543 169 G N 0.458 109.048 108.800 -0.351 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 0.822 45.847 45.100 -0.126 0.000 0.776 169 G HN -0.329 7.613 8.290 -0.286 0.176 0.547 170 H N -0.600 118.077 119.070 -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 -0.549 55.076 56.048 -0.705 0.000 1.155 170 H CB -0.455 28.803 29.762 -0.838 0.000 1.344 170 H HN -0.515 6.993 8.280 -1.019 0.161 0.598 171 T N -0.050 114.315 114.554 -0.316 0.000 3.113 171 T HA -0.026 nan 4.350 nan 0.000 0.263 171 T C -1.332 173.394 174.700 0.044 0.000 1.143 171 T CA 1.209 63.167 62.100 -0.238 0.000 1.090 171 T CB 0.461 68.949 68.868 -0.633 0.000 0.922 171 T HN -0.196 7.555 8.240 -0.503 0.187 0.521 172 F N -4.807 115.135 119.950 -0.013 0.000 2.923 172 F HA 0.553 nan 4.527 nan 0.000 0.323 172 F C -0.862 175.029 175.800 0.153 0.000 1.189 172 F CA -2.816 55.235 58.000 0.086 0.000 0.930 172 F CB 1.091 40.148 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 -1.220 107.660 108.800 0.133 0.000 2.712 173 G HA2 -0.349 nan 3.960 nan 0.000 0.683 173 G HA3 -0.349 nan 3.960 nan 0.000 0.683 173 G C -2.404 172.662 174.900 0.277 0.000 1.320 173 G CA -0.077 45.070 45.100 0.078 0.000 0.847 173 G HN -0.130 8.234 8.290 0.124 0.000 0.553 174 K N -0.336 120.194 120.400 0.218 0.000 2.295 174 K HA 0.792 nan 4.320 nan 0.000 0.239 174 K C -1.384 175.242 176.600 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 1.001 119.601 118.700 -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 -0.517 52.426 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 0.540 8.824 8.380 -0.160 0.000 0.476 176 Q N 2.956 122.857 119.800 0.168 0.000 2.340 176 Q HA 0.154 nan 4.340 nan 0.000 0.249 176 Q C 1.246 177.225 176.000 -0.034 0.000 0.957 176 Q CA 0.338 56.166 55.803 0.041 0.000 0.882 176 Q CB 1.584 30.294 28.738 -0.046 0.000 1.235 176 Q HN 0.156 8.668 8.270 0.403 0.000 0.439 177 c N 3.991 122.546 118.600 -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 -1.596 40.887 42.510 -0.045 0.000 2.014 177 c HN 0.837 9.028 8.230 -0.066 0.000 0.486 178 R N 1.232 121.594 120.500 -0.231 0.000 2.139 178 R HA -0.365 nan 4.340 nan 0.000 0.243 178 R C 2.357 178.507 176.300 -0.251 0.000 1.145 178 R CA 2.996 58.915 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 0.044 8.147 8.270 -0.254 0.014 0.449 179 F N -2.989 116.988 119.950 0.046 0.000 2.748 179 F HA -0.101 nan 4.527 nan 0.000 0.299 179 F C 0.051 175.890 175.800 0.066 0.000 1.154 179 F CA 1.717 59.761 58.000 0.074 0.000 1.446 179 F CB 0.132 39.173 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 -7.775 112.883 120.570 0.146 0.000 4.240 180 I HA 0.276 nan 4.170 nan 0.000 0.331 180 I C 0.663 176.816 176.117 0.060 0.000 1.381 180 I CA -0.510 60.840 61.300 0.085 0.000 1.136 180 I CB 1.579 39.569 38.000 -0.016 0.000 1.137 180 I HN -0.042 8.041 8.210 0.078 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 1.866 178.271 176.300 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 0.078 0.000 0.405 182 D N -2.148 118.353 120.400 0.169 0.000 2.190 182 D HA -0.303 nan 4.640 nan 0.000 0.200 182 D C 2.437 178.911 176.300 0.290 0.000 0.992 182 D CA 3.082 57.193 54.000 0.185 0.000 0.854 182 D CB -0.683 40.185 40.800 0.114 0.000 0.936 182 D HN 0.355 8.815 8.370 0.151 0.000 0.462 183 R N -1.843 118.804 120.500 0.246 0.000 2.093 183 R HA -0.150 nan 4.340 nan 0.000 0.224 183 R C 2.382 178.638 176.300 -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 0.109 0.441 184 L N -1.843 119.259 121.223 -0.200 0.000 2.270 184 L HA -0.229 nan 4.340 nan 0.000 0.210 184 L C 1.505 177.961 176.870 -0.690 0.000 1.104 184 L CA 2.916 57.429 54.840 -0.545 0.000 0.804 184 L CB -0.036 41.494 42.059 -0.882 0.000 0.937 184 L HN -0.417 7.645 8.230 -0.121 0.096 0.450 185 Y N -6.314 114.010 120.300 0.041 0.000 2.769 185 Y HA 0.005 nan 4.550 nan 0.000 0.266 185 Y C -0.042 175.893 175.900 0.059 0.000 1.091 185 Y CA 0.794 58.916 58.100 0.036 0.000 1.272 185 Y CB 1.776 40.247 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 -0.530 118.310 118.700 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 -0.581 52.568 53.050 0.164 0.000 0.804 186 N CB 0.775 39.328 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 6.234 126.207 119.950 0.039 0.000 2.444 187 F HA 0.098 nan 4.527 nan 0.000 0.360 187 F C -0.600 175.221 175.800 0.035 0.000 1.106 187 F CA -0.180 57.842 58.000 0.036 0.000 1.170 187 F CB 1.162 40.179 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 8.534 123.874 115.700 -0.600 0.000 3.631 188 S HA -0.469 nan 4.470 nan 0.000 0.366 188 S C -0.485 174.002 174.600 -0.187 0.000 0.993 188 S CA 1.111 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 0.893 8.866 8.310 -0.562 0.000 0.478 189 N N -3.298 115.338 118.700 -0.107 0.000 2.732 189 N HA -0.284 nan 4.740 nan 0.000 0.250 189 N C 0.545 176.050 175.510 -0.009 0.000 1.097 189 N CA 1.188 54.211 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 8.611 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 1.546 176.279 174.700 0.055 0.000 1.127 190 T CA 0.476 62.604 62.100 0.048 0.000 1.103 190 T CB 0.321 69.245 68.868 0.094 0.000 0.921 190 T HN -0.199 7.869 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 0.312 45.449 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 -1.141 120.143 121.223 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 2.416 44.521 42.059 0.077 0.000 1.406 192 L HN -0.572 7.667 8.230 0.116 0.060 0.413 193 P HA 0.104 nan 4.420 nan 0.000 0.274 193 P C -1.575 175.705 177.300 -0.033 0.000 1.246 193 P CA -0.598 62.510 63.100 0.012 0.000 0.795 193 P CB 0.352 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 0.025 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 -2.028 51.619 54.000 -0.589 0.000 0.897 194 D CB 0.303 40.495 40.800 -1.014 0.000 1.132 194 D HN -0.156 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 -0.038 177.210 177.300 -0.085 0.000 1.144 195 P CA 1.445 64.494 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 -6.707 107.768 114.554 -0.130 0.000 3.144 196 T HA -0.019 nan 4.350 nan 0.000 0.249 196 T C -0.352 174.308 174.700 -0.067 0.000 1.089 196 T CA -0.742 61.315 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 8.226 8.240 -0.219 -0.286 0.540 197 L N 2.274 123.435 121.223 -0.104 0.000 2.257 197 L HA 0.165 nan 4.340 nan 0.000 0.290 197 L C -0.618 176.232 176.870 -0.034 0.000 1.044 197 L CA -1.269 53.523 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 7.302 126.016 118.700 0.024 0.000 2.292 198 N HA -0.215 nan 4.740 nan 0.000 0.258 198 N C 0.596 176.126 175.510 0.033 0.000 1.261 198 N CA 1.298 54.370 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 8.509 8.380 0.047 0.000 0.471 199 T N 1.132 115.693 114.554 0.012 0.000 2.915 199 T HA -0.155 nan 4.350 nan 0.000 0.269 199 T C 1.997 176.708 174.700 0.018 0.000 1.071 199 T CA 2.967 65.068 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 -0.186 nan 4.350 nan 0.000 0.264 200 T C 1.477 176.241 174.700 0.107 0.000 1.042 200 T CA 4.334 66.462 62.100 0.048 0.000 1.140 200 T CB -0.589 68.297 68.868 0.029 0.000 0.870 200 T HN -0.154 8.306 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 8.570 8.280 0.189 -0.341 0.524 202 L N -0.589 120.616 121.223 -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 3.702 58.453 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 0.024 8.190 8.230 0.036 0.085 0.432 203 Q N -2.622 117.152 119.800 -0.042 0.000 2.050 203 Q HA -0.333 nan 4.340 nan 0.000 0.202 203 Q C 2.868 178.861 176.000 -0.013 0.000 0.980 203 Q CA 2.797 58.588 55.803 -0.021 0.000 0.840 203 Q CB -0.885 27.857 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 3.760 118.326 114.554 0.020 0.000 2.684 204 T HA -0.279 nan 4.350 nan 0.000 0.267 204 T C 2.265 176.951 174.700 -0.023 0.000 1.036 204 T CA 4.781 66.906 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 7.609 8.240 0.055 0.071 0.436 205 L N 0.432 121.577 121.223 -0.130 0.000 2.042 205 L HA -0.506 nan 4.340 nan 0.000 0.210 205 L C 1.965 178.762 176.870 -0.121 0.000 1.076 205 L CA 3.451 58.171 54.840 -0.200 0.000 0.749 205 L CB -0.681 41.143 42.059 -0.391 0.000 0.893 205 L HN 0.328 8.458 8.230 -0.168 0.000 0.432 206 R N -2.733 117.700 120.500 -0.113 0.000 2.152 206 R HA -0.301 nan 4.340 nan 0.000 0.232 206 R C 2.059 178.387 176.300 0.046 0.000 1.117 206 R CA 2.924 59.009 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 -0.136 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 1.036 46.150 45.100 0.024 0.000 0.784 207 G HN -0.494 7.654 8.290 -0.007 0.138 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 -0.189 176.684 176.870 0.005 0.000 1.096 208 L CA 1.424 56.264 54.840 0.000 0.000 0.779 208 L CB 0.863 42.913 42.059 -0.015 0.000 0.922 208 L HN -0.662 7.464 8.230 -0.009 0.099 0.443 209 c N -0.532 118.080 118.600 0.019 0.000 2.816 209 c HA 0.533 nan 4.570 nan 0.000 0.255 209 c C -2.730 171.443 174.090 0.138 0.000 1.141 209 c CA -3.235 53.125 56.329 0.051 0.000 1.554 209 c CB -1.105 41.424 42.510 0.033 0.000 1.778 209 c HN 0.105 8.252 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 0.453 32.168 31.700 0.025 0.000 0.901 211 L N 2.774 123.891 121.223 -0.177 0.000 2.263 211 L HA -0.324 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 2.316 56.894 54.840 -0.438 0.000 0.773 211 L CB 0.137 41.777 42.059 -0.698 0.000 0.906 211 L HN 0.385 8.535 8.230 -0.134 0.000 0.439 212 N N -3.902 114.725 118.700 -0.122 0.000 2.517 212 N HA 0.071 nan 4.740 nan 0.000 0.285 212 N C -0.645 174.834 175.510 -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 -0.389 7.892 8.380 -0.097 0.041 0.495 213 G N -0.282 108.495 108.800 -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 -1.916 172.969 174.900 -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 7.995 8.290 -0.042 0.000 0.565 214 N N -0.018 118.670 118.700 -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 0.355 38.832 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 5.543 126.736 121.223 -0.049 0.000 2.456 215 L HA -0.187 nan 4.340 nan 0.000 0.224 215 L C 0.786 177.594 176.870 -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 41.951 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 0.047 58.217 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 -1.681 175.891 177.584 -0.019 0.000 1.075 217 A CA 0.437 52.464 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 0.642 121.859 121.223 -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 1.726 43.786 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 -1.748 118.131 119.914 -0.059 0.000 2.914 219 V HA 0.497 nan 4.120 nan 0.000 0.314 219 V C -1.527 174.516 176.094 -0.086 0.000 1.084 219 V CA -3.080 59.183 62.300 -0.063 0.000 0.963 219 V CB 3.667 35.438 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 1.737 122.124 120.400 -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 0.743 54.759 54.000 0.028 0.000 0.894 220 D CB 1.055 41.905 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 0.683 120.672 119.950 0.066 0.000 2.186 221 F HA -0.284 nan 4.527 nan 0.000 0.299 221 F C 0.177 176.045 175.800 0.112 0.000 1.090 221 F CA 3.553 61.593 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 0.145 8.614 8.300 0.281 0.000 0.489 222 D N -2.029 118.544 120.400 0.288 0.000 2.440 222 D HA 0.130 nan 4.640 nan 0.000 0.239 222 D C 0.046 176.400 176.300 0.091 0.000 1.084 222 D CA -1.840 52.265 54.000 0.174 0.000 0.843 222 D CB 0.970 41.860 40.800 0.151 0.000 1.097 222 D HN -0.460 8.063 8.370 0.282 0.017 0.531 223 L N -0.029 121.207 121.223 0.022 0.000 2.217 223 L HA 0.048 nan 4.340 nan 0.000 0.211 223 L C 0.879 177.717 176.870 -0.052 0.000 1.107 223 L CA 1.763 56.580 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 0.199 8.434 8.230 0.007 0.000 0.442 224 R N -0.853 119.613 120.500 -0.058 0.000 2.056 224 R HA -0.095 nan 4.340 nan 0.000 0.227 224 R C -0.034 176.261 176.300 -0.009 0.000 1.149 224 R CA 1.626 57.698 56.100 -0.048 0.000 0.937 224 R CB 0.638 30.900 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 -4.451 110.111 114.554 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 58.549 62.100 0.039 0.000 1.235 225 T CB 0.111 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 -0.309 177.109 177.300 0.196 0.000 1.146 226 P CA 2.194 65.376 63.100 0.137 0.000 0.813 226 P CB -0.139 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 -0.319 174.545 174.700 0.274 0.000 1.005 227 T CA -1.255 60.991 62.100 0.244 0.000 0.906 227 T CB 0.190 69.154 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 2.573 123.251 120.570 0.180 0.000 2.377 228 I HA 0.132 nan 4.170 nan 0.000 0.293 228 I C -1.521 174.615 176.117 0.032 0.000 0.987 228 I CA -1.014 60.366 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 9.762 129.617 119.950 -0.158 0.000 2.439 229 F HA -0.162 nan 4.527 nan 0.000 0.356 229 F C -1.567 174.237 175.800 0.006 0.000 1.161 229 F CA 0.359 58.157 58.000 -0.338 0.000 1.151 229 F CB 0.130 38.787 39.000 -0.572 0.000 1.222 229 F HN 0.530 8.813 8.300 0.157 0.111 0.558 230 D N 4.372 124.691 120.400 -0.134 0.000 2.825 230 D HA 0.241 nan 4.640 nan 0.000 0.327 230 D C -0.938 175.410 176.300 0.081 0.000 1.277 230 D CA -1.231 52.886 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 -0.396 7.707 8.370 -0.445 0.000 0.526 231 N N -2.657 116.092 118.700 0.082 0.000 2.383 231 N HA -0.117 nan 4.740 nan 0.000 0.192 231 N C 1.410 176.888 175.510 -0.055 0.000 1.141 231 N CA 0.274 53.277 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 0.302 120.661 120.400 -0.068 0.000 2.218 232 K HA -0.366 nan 4.320 nan 0.000 0.205 232 K C 1.309 177.839 176.600 -0.117 0.000 1.046 232 K CA 2.365 58.608 56.287 -0.074 0.000 0.933 232 K CB -1.416 31.049 32.500 -0.059 0.000 0.728 232 K HN -0.702 7.619 8.250 -0.055 -0.103 0.454 233 Y N 0.733 120.836 120.300 -0.329 0.000 2.139 233 Y HA -0.505 nan 4.550 nan 0.000 0.282 233 Y C 1.923 177.531 175.900 -0.487 0.000 1.179 233 Y CA 3.722 61.555 58.100 -0.445 0.000 1.161 233 Y CB -0.346 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 -4.266 115.882 120.300 -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 -0.715 37.652 38.460 -0.155 0.000 0.998 234 Y HN -0.340 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 4.175 66.377 62.300 -0.164 0.000 1.038 235 V CB -1.091 30.662 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 -0.912 117.625 118.700 -0.271 0.000 2.120 236 N HA -0.288 nan 4.740 nan 0.000 0.188 236 N C 2.257 177.566 175.510 -0.335 0.000 1.024 236 N CA 2.789 55.670 53.050 -0.282 0.000 0.852 236 N CB -0.692 37.639 38.487 -0.260 0.000 1.003 236 N HN -0.219 8.004 8.380 -0.261 0.000 0.424 237 L N -0.605 120.348 121.223 -0.450 0.000 2.042 237 L HA -0.368 nan 4.340 nan 0.000 0.210 237 L C 2.669 179.116 176.870 -0.705 0.000 1.076 237 L CA 3.526 58.075 54.840 -0.486 0.000 0.749 237 L CB -0.584 41.180 42.059 -0.491 0.000 0.893 237 L HN -0.494 7.346 8.230 -0.510 0.084 0.432 238 E N -2.492 117.221 120.200 -0.813 0.000 2.268 238 E HA -0.238 nan 4.350 nan 0.000 0.195 238 E C 1.099 177.428 176.600 -0.453 0.000 0.995 238 E CA 2.274 58.078 56.400 -0.992 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 0.008 0.491 239 E N -3.604 116.413 120.200 -0.306 0.000 2.463 239 E HA 0.106 nan 4.350 nan 0.000 0.193 239 E C -0.748 175.783 176.600 -0.113 0.000 1.041 239 E CA -0.831 55.469 56.400 -0.168 0.000 0.879 239 E CB 0.406 30.010 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 -5.409 114.316 119.800 -0.125 0.000 2.503 240 Q HA -0.356 nan 4.340 nan 0.000 0.267 240 Q C -0.072 175.928 176.000 -0.000 0.000 1.030 240 Q CA 1.268 57.048 55.803 -0.037 0.000 1.041 240 Q CB -2.612 26.129 28.738 0.006 0.000 1.406 240 Q HN -0.237 7.705 8.270 -0.225 0.194 0.524 241 K N -2.005 118.368 120.400 -0.044 0.000 2.498 241 K HA 0.123 nan 4.320 nan 0.000 0.207 241 K C -0.859 175.797 176.600 0.093 0.000 1.033 241 K CA -0.883 55.443 56.287 0.064 0.000 1.138 241 K CB 0.046 32.437 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 -1.303 107.496 108.800 -0.002 0.000 2.365 242 G HA2 -0.052 nan 3.960 nan 0.000 0.249 242 G HA3 -0.052 nan 3.960 nan 0.000 0.249 242 G C -0.131 174.829 174.900 0.099 0.000 1.288 242 G CA -0.327 44.770 45.100 -0.005 0.000 0.887 242 G HN -0.567 7.633 8.290 -0.029 0.073 0.524 243 L N 5.840 127.152 121.223 0.148 0.000 2.005 243 L HA -0.049 nan 4.340 nan 0.000 0.207 243 L C -0.179 176.700 176.870 0.014 0.000 1.072 243 L CA 2.086 56.956 54.840 0.051 0.000 0.744 243 L CB 0.935 42.983 42.059 -0.017 0.000 0.895 243 L HN 0.366 8.720 8.230 0.207 0.000 0.433 244 I N -8.151 112.483 120.570 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 -1.724 59.650 61.300 0.124 0.000 1.148 244 I CB 1.887 39.986 38.000 0.165 0.000 1.323 244 I HN -0.929 7.598 8.210 0.200 -0.197 0.461 245 Q N 4.904 124.801 119.800 0.162 0.000 2.096 245 Q HA -0.445 nan 4.340 nan 0.000 0.208 245 Q C 1.546 177.656 176.000 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 2.073 176.791 174.600 0.197 0.000 1.007 246 S CA 2.699 61.009 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 -0.398 8.024 8.310 0.187 0.000 0.504 247 D N 2.158 122.695 120.400 0.229 0.000 2.085 247 D HA -0.091 nan 4.640 nan 0.000 0.199 247 D C 2.291 178.669 176.300 0.129 0.000 0.981 247 D CA 2.656 56.806 54.000 0.250 0.000 0.834 247 D CB -0.053 40.922 40.800 0.290 0.000 0.992 247 D HN -0.354 8.006 8.370 0.227 0.146 0.457 248 Q N 0.260 120.120 119.800 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 2.526 58.377 55.803 0.079 0.000 0.858 248 Q CB -0.261 28.506 28.738 0.048 0.000 0.907 248 Q HN -0.447 7.891 8.270 0.113 0.000 0.433 249 E N -0.111 120.164 120.200 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 2.650 59.121 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 -0.219 8.201 8.360 0.132 0.019 0.477 250 L N -1.773 119.530 121.223 0.134 0.000 2.265 250 L HA -0.310 nan 4.340 nan 0.000 0.215 250 L C 1.334 178.304 176.870 0.167 0.000 1.117 250 L CA 2.654 57.574 54.840 0.132 0.000 0.782 250 L CB -0.218 41.939 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 -0.924 119.027 119.950 0.002 0.000 2.637 251 F HA 0.027 nan 4.527 nan 0.000 0.284 251 F C 0.631 176.424 175.800 -0.012 0.000 1.105 251 F CA 2.040 60.031 58.000 -0.015 0.000 1.356 251 F CB 1.732 40.713 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 -1.133 114.628 115.700 0.102 0.000 2.524 252 S HA 0.032 nan 4.470 nan 0.000 0.215 252 S C -0.662 173.932 174.600 -0.010 0.000 0.986 252 S CA 0.679 58.888 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 8.340 8.310 0.178 0.000 0.501 253 S N 2.725 118.429 115.700 0.007 0.000 2.576 253 S HA 0.244 nan 4.470 nan 0.000 0.276 253 S C -0.353 174.235 174.600 -0.019 0.000 1.339 253 S CA -2.297 55.912 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 -0.010 177.278 177.300 -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 -3.169 115.526 118.700 -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 -0.253 52.793 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 0.680 123.480 122.820 -0.032 0.000 2.281 256 A HA 0.180 nan 4.320 nan 0.000 0.231 256 A C 0.166 177.707 177.584 -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 7.852 8.150 -0.037 0.199 0.497 257 T N 1.118 115.637 114.554 -0.058 0.000 2.708 257 T HA -0.301 nan 4.350 nan 0.000 0.266 257 T C 0.874 175.539 174.700 -0.057 0.000 1.037 257 T CA 4.121 66.183 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 -2.501 117.874 120.400 -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 1.382 55.358 54.000 -0.041 0.000 0.873 258 D CB -0.463 40.322 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 -4.291 110.235 114.554 -0.046 0.000 3.033 259 T HA 0.065 nan 4.350 nan 0.000 0.248 259 T C 1.698 176.370 174.700 -0.045 0.000 1.040 259 T CA 1.423 63.499 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 -0.694 175.403 176.117 -0.034 0.000 1.080 260 I CA 5.915 67.187 61.300 -0.046 0.000 1.339 260 I CB -2.510 35.365 38.000 -0.209 0.000 1.039 260 I HN 0.218 8.383 8.210 -0.075 0.000 0.409 261 P HA -0.184 nan 4.420 nan 0.000 0.216 261 P C 1.696 178.876 177.300 -0.201 0.000 1.153 261 P CA 3.099 66.138 63.100 -0.103 0.000 0.848 261 P CB -0.670 30.975 31.700 -0.092 0.000 0.787 262 L N -2.659 118.388 121.223 -0.293 0.000 2.046 262 L HA -0.316 nan 4.340 nan 0.000 0.208 262 L C 2.416 178.792 176.870 -0.823 0.000 1.077 262 L CA 3.158 57.602 54.840 -0.660 0.000 0.747 262 L CB -0.446 41.251 42.059 -0.603 0.000 0.896 262 L HN -0.857 7.247 8.230 -0.211 0.000 0.432 263 V N -0.530 119.170 119.914 -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 4.498 66.715 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 0.268 8.337 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 2.420 178.665 176.300 -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 30.020 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 -0.215 115.383 115.700 -0.170 0.000 2.359 265 S HA -0.270 nan 4.470 nan 0.000 0.224 265 S C 2.277 176.878 174.600 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 0.110 0.448 266 F N -0.507 119.294 119.950 -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 0.501 58.261 58.000 -0.399 0.000 1.358 266 F CB -0.864 37.488 39.000 -1.080 0.000 1.040 266 F HN 0.261 8.269 8.300 -0.487 0.000 0.505 267 A N -1.257 121.540 122.820 -0.038 0.000 2.015 267 A HA -0.185 nan 4.320 nan 0.000 0.219 267 A C 1.001 178.580 177.584 -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 -0.162 7.833 8.150 -0.086 0.103 0.448 268 N N -3.050 115.646 118.700 -0.006 0.000 2.446 268 N HA -0.042 nan 4.740 nan 0.000 0.179 268 N C -0.481 175.025 175.510 -0.007 0.000 1.054 268 N CA 1.207 54.252 53.050 -0.009 0.000 0.905 268 N CB 1.068 39.550 38.487 -0.007 0.000 0.973 268 N HN -0.479 7.777 8.380 -0.007 0.121 0.448 269 S N -0.822 114.883 115.700 0.008 0.000 2.776 269 S HA 0.212 nan 4.470 nan 0.000 0.284 269 S C -0.003 174.575 174.600 -0.037 0.000 1.160 269 S CA -1.370 56.823 58.200 -0.011 0.000 1.051 269 S CB 1.083 64.291 63.200 0.013 0.000 1.037 269 S HN -0.715 7.615 8.310 0.034 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 4.481 66.390 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 0.714 8.884 8.240 -0.116 0.000 0.455 271 Q N 0.540 120.183 119.800 -0.261 0.000 2.084 271 Q HA -0.239 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 3.323 59.031 55.803 -0.159 0.000 0.844 271 Q CB -0.806 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 1.855 176.548 174.700 -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 -0.670 7.560 8.240 -0.017 0.000 0.444 273 F N 3.301 123.105 119.950 -0.244 0.000 2.075 273 F HA -0.400 nan 4.527 nan 0.000 0.297 273 F C 0.818 176.552 175.800 -0.110 0.000 1.113 273 F CA 1.410 59.093 58.000 -0.527 0.000 1.218 273 F CB -0.136 38.662 39.000 -0.336 0.000 0.984 273 F HN -0.419 7.935 8.300 0.090 0.000 0.472 274 F N -1.383 118.234 119.950 -0.555 0.000 2.126 274 F HA -0.493 nan 4.527 nan 0.000 0.299 274 F C 2.390 177.955 175.800 -0.392 0.000 1.096 274 F CA 1.965 59.639 58.000 -0.544 0.000 1.255 274 F CB -1.400 37.428 39.000 -0.288 0.000 0.997 274 F HN 0.308 8.544 8.300 -0.107 0.000 0.479 275 N N -0.780 117.877 118.700 -0.071 0.000 2.120 275 N HA -0.329 nan 4.740 nan 0.000 0.188 275 N C 2.232 177.643 175.510 -0.165 0.000 1.024 275 N CA 3.135 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 0.569 123.289 122.820 -0.167 0.000 1.877 276 A HA -0.234 nan 4.320 nan 0.000 0.216 276 A C 1.962 179.440 177.584 -0.176 0.000 1.186 276 A CA 2.965 54.916 52.037 -0.144 0.000 0.620 276 A CB -0.718 18.137 19.000 -0.240 0.000 0.822 276 A HN -0.256 7.715 8.150 -0.181 0.071 0.443 277 F N -0.233 119.469 119.950 -0.414 0.000 2.069 277 F HA -0.473 nan 4.527 nan 0.000 0.298 277 F C 1.723 177.257 175.800 -0.442 0.000 1.113 277 F CA 3.927 61.697 58.000 -0.382 0.000 1.214 277 F CB 0.235 38.883 39.000 -0.587 0.000 0.978 277 F HN 0.331 8.364 8.300 -0.267 0.107 0.474 278 V N -1.240 118.332 119.914 -0.570 0.000 2.332 278 V HA -0.577 nan 4.120 nan 0.000 0.248 278 V C 1.846 177.563 176.094 -0.627 0.000 1.055 278 V CA 4.653 66.380 62.300 -0.955 0.000 1.038 278 V CB -1.002 30.209 31.823 -1.019 0.000 0.651 278 V HN 0.250 8.198 8.190 -0.405 0.000 0.450 279 E N -0.973 119.003 120.200 -0.374 0.000 2.106 279 E HA -0.374 nan 4.350 nan 0.000 0.192 279 E C 2.095 178.592 176.600 -0.172 0.000 0.984 279 E CA 3.151 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 0.138 122.838 122.820 -0.200 0.000 1.877 280 A HA -0.271 nan 4.320 nan 0.000 0.216 280 A C 2.381 179.862 177.584 -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 -0.118 0.000 0.822 280 A HN 0.168 8.171 8.150 -0.245 0.000 0.443 281 M N -1.662 117.723 119.600 -0.359 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 2.846 58.014 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 0.412 8.369 8.290 -0.556 0.000 0.406 282 D N -1.287 119.104 120.400 -0.015 0.000 2.224 282 D HA -0.180 nan 4.640 nan 0.000 0.205 282 D C 2.312 178.635 176.300 0.038 0.000 0.965 282 D CA 2.819 56.862 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 -0.215 7.996 8.370 -0.137 0.077 0.494 283 R N -1.628 118.874 120.500 0.003 0.000 2.062 283 R HA -0.175 nan 4.340 nan 0.000 0.229 283 R C 2.600 178.911 176.300 0.018 0.000 1.128 283 R CA 1.995 58.101 56.100 0.009 0.000 0.960 283 R CB -0.172 30.134 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 1.198 120.818 119.600 0.033 0.000 2.108 284 M HA -0.251 nan 4.480 nan 0.000 0.261 284 M C 2.074 178.396 176.300 0.037 0.000 1.066 284 M CA 3.426 58.754 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 0.347 8.652 8.290 0.025 0.000 0.406 285 G N -3.915 104.941 108.800 0.094 0.000 2.559 285 G HA2 -0.270 nan 3.960 nan 0.000 0.216 285 G HA3 -0.270 nan 3.960 nan 0.000 0.216 285 G C 0.336 175.273 174.900 0.062 0.000 1.126 285 G CA 1.315 46.495 45.100 0.133 0.000 0.778 285 G HN 0.314 8.669 8.290 0.109 0.000 0.543 286 N N -0.388 118.328 118.700 0.027 0.000 2.230 286 N HA 0.054 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 -0.577 52.473 53.050 0.000 0.000 0.851 286 N CB 1.007 39.494 38.487 -0.000 0.000 0.990 286 N HN -0.475 7.728 8.380 0.026 0.192 0.497 287 I N 1.416 121.961 120.570 -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 1.020 62.274 61.300 -0.077 0.000 1.410 287 I CB 0.235 38.162 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 2.572 117.079 114.554 -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 0.385 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 -1.206 61.870 63.100 -0.039 0.000 0.801 289 P CB 1.255 32.930 31.700 -0.042 0.000 1.006 290 L N 0.275 121.481 121.223 -0.029 0.000 2.257 290 L HA 0.313 nan 4.340 nan 0.000 0.290 290 L C -0.665 176.185 176.870 -0.034 0.000 1.044 290 L CA -0.763 54.064 54.840 -0.021 0.000 0.810 290 L CB 0.218 42.275 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 -2.988 111.546 114.554 -0.032 0.000 2.864 291 T HA 0.492 nan 4.350 nan 0.000 0.289 291 T C 0.347 175.043 174.700 -0.008 0.000 1.082 291 T CA -2.442 59.632 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 1.975 110.782 108.800 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 -0.329 174.596 174.900 0.042 0.000 1.172 292 G CA 2.137 47.259 45.100 0.037 0.000 0.966 292 G HN 0.558 8.850 8.290 0.005 0.000 0.542 293 T N 1.100 115.672 114.554 0.030 0.000 3.085 293 T HA 0.201 nan 4.350 nan 0.000 0.264 293 T C 1.000 175.715 174.700 0.025 0.000 1.019 293 T CA -0.679 61.440 62.100 0.032 0.000 0.910 293 T CB -0.041 68.844 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 0.817 176.829 176.000 0.020 0.000 0.992 294 Q CA 0.449 56.262 55.803 0.016 0.000 0.888 294 Q CB 0.915 29.657 28.738 0.008 0.000 1.257 294 Q HN -0.474 7.749 8.270 0.016 0.056 0.462 295 G N 0.021 108.836 108.800 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 -1.570 173.348 174.900 0.030 0.000 1.333 295 G CA 0.038 45.154 45.100 0.027 0.000 0.904 295 G HN 0.235 8.539 8.290 0.024 0.000 0.569 296 Q N -2.707 117.113 119.800 0.032 0.000 2.857 296 Q HA 0.569 nan 4.340 nan 0.000 0.319 296 Q C -1.206 174.820 176.000 0.044 0.000 0.963 296 Q CA -1.821 54.005 55.803 0.038 0.000 0.770 296 Q CB 3.694 32.452 28.738 0.034 0.000 1.492 296 Q HN 0.435 8.615 8.270 0.030 0.108 0.493 297 I N 0.276 120.876 120.570 0.050 0.000 2.371 297 I HA 0.141 nan 4.170 nan 0.000 0.282 297 I C -0.080 176.061 176.117 0.041 0.000 1.031 297 I CA -1.057 60.276 61.300 0.055 0.000 1.180 297 I CB 0.013 38.058 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 6.869 127.390 120.500 0.035 0.000 2.679 298 R HA -0.067 nan 4.340 nan 0.000 0.268 298 R C 0.225 176.538 176.300 0.023 0.000 1.044 298 R CA 0.328 56.445 56.100 0.028 0.000 1.105 298 R CB 0.750 31.067 30.300 0.028 0.000 0.989 298 R HN -0.225 8.345 8.270 0.036 -0.278 0.447 299 L N 0.318 121.552 121.223 0.019 0.000 2.209 299 L HA -0.071 nan 4.340 nan 0.000 0.207 299 L C -0.124 176.753 176.870 0.011 0.000 1.094 299 L CA 1.722 56.570 54.840 0.013 0.000 0.790 299 L CB 0.480 42.545 42.059 0.011 0.000 0.932 299 L HN 0.475 8.717 8.230 0.020 0.000 0.447 300 N N -3.009 115.700 118.700 0.015 0.000 2.352 300 N HA 0.098 nan 4.740 nan 0.000 0.291 300 N C 0.216 175.739 175.510 0.022 0.000 1.040 300 N CA -0.830 52.230 53.050 0.016 0.000 0.864 300 N CB 2.237 40.731 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 4.579 123.195 118.600 0.028 0.000 2.409 301 c HA -0.214 nan 4.570 nan 0.000 0.284 301 c C 1.615 175.726 174.090 0.034 0.000 1.354 301 c CA 2.083 58.434 56.329 0.037 0.000 1.787 301 c CB -0.734 41.808 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 -2.763 117.751 120.500 0.024 0.000 2.240 302 R HA -0.054 nan 4.340 nan 0.000 0.203 302 R C -0.988 175.326 176.300 0.023 0.000 1.011 302 R CA 1.783 57.890 56.100 0.010 0.000 1.007 302 R CB 0.525 30.820 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 -8.163 111.769 119.914 0.029 0.000 3.007 303 V HA 0.349 nan 4.120 nan 0.000 0.311 303 V C -1.558 174.566 176.094 0.049 0.000 1.120 303 V CA -2.084 60.240 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 1.314 121.272 119.914 0.072 0.000 2.715 304 V HA -0.016 nan 4.120 nan 0.000 0.299 304 V C 0.090 176.208 176.094 0.039 0.000 1.054 304 V CA -0.085 62.254 62.300 0.065 0.000 1.077 304 V CB 0.343 32.227 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 6.142 124.862 118.700 0.033 0.000 2.513 305 N HA -0.035 nan 4.740 nan 0.000 0.268 305 N C -1.411 174.112 175.510 0.022 0.000 1.180 305 N CA 0.901 53.966 53.050 0.024 0.000 0.948 305 N CB 0.879 39.380 38.487 0.024 0.000 1.083 305 N HN 0.618 9.440 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