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_B 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 1.556 122.758 121.223 -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 -0.022 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 2.898 117.449 114.554 -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 1.788 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 64.525 63.100 0.032 0.000 0.777 4 P CB 0.405 32.126 31.700 0.036 0.000 0.794 5 T N -6.346 108.236 114.554 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 -1.077 61.042 62.100 0.033 0.000 0.928 5 T CB -0.670 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 -0.480 nan 4.527 nan 0.000 0.301 6 F C -0.342 175.230 175.800 -0.380 0.000 1.084 6 F CA 3.945 61.738 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 -7.381 112.980 120.300 0.101 0.000 2.458 7 Y HA 0.059 nan 4.550 nan 0.000 0.256 7 Y C 0.823 176.708 175.900 -0.026 0.000 1.159 7 Y CA -1.152 56.959 58.100 0.018 0.000 1.261 7 Y CB -0.442 38.068 38.460 0.083 0.000 1.119 7 Y HN -0.351 7.940 8.280 0.054 0.020 0.524 8 D N 1.662 122.107 120.400 0.075 0.000 2.221 8 D HA -0.269 nan 4.640 nan 0.000 0.204 8 D C 0.851 177.160 176.300 0.014 0.000 0.982 8 D CA 3.441 57.465 54.000 0.041 0.000 0.857 8 D CB -0.557 40.253 40.800 0.016 0.000 0.934 8 D HN -0.104 8.110 8.370 0.032 0.176 0.475 9 N N -2.795 115.896 118.700 -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 54.311 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 -1.553 114.150 115.700 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 0.046 0.000 0.811 10 S HN -0.117 8.190 8.310 -0.005 0.000 0.489 11 c N 3.191 121.842 118.600 0.084 0.000 3.432 11 c HA 0.489 nan 4.570 nan 0.000 0.242 11 c C -1.657 172.453 174.090 0.034 0.000 1.152 11 c CA -2.313 54.032 56.329 0.026 0.000 1.242 11 c CB -0.034 42.448 42.510 -0.047 0.000 1.802 11 c HN 0.286 8.474 8.230 0.136 0.123 0.577 12 P HA -0.143 nan 4.420 nan 0.000 0.223 12 P C 0.112 177.416 177.300 0.006 0.000 1.144 12 P CA 2.088 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 -3.118 115.574 118.700 -0.012 0.000 2.236 13 N HA 0.174 nan 4.740 nan 0.000 0.196 13 N C 1.600 177.084 175.510 -0.043 0.000 1.114 13 N CA 0.249 53.284 53.050 -0.025 0.000 0.859 13 N CB 0.454 38.926 38.487 -0.026 0.000 0.982 13 N HN -0.134 8.181 8.380 -0.016 0.055 0.493 14 V N -1.233 118.645 119.914 -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 -0.078 0.000 1.060 14 V CA 4.584 66.826 62.300 -0.097 0.000 1.030 14 V CB -1.196 30.532 31.823 -0.159 0.000 0.643 14 V HN -0.339 7.769 8.190 -0.048 0.052 0.445 15 S N -0.086 115.577 115.700 -0.060 0.000 2.399 15 S HA -0.450 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 62.237 58.200 -0.071 0.000 0.983 15 S CB -0.825 62.333 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 2.878 121.548 118.700 -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 3.378 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 -0.659 7.681 8.380 -0.044 0.014 0.423 17 I N 0.523 121.064 120.570 -0.048 0.000 2.163 17 I HA -0.539 nan 4.170 nan 0.000 0.243 17 I C 1.613 177.700 176.117 -0.051 0.000 1.085 17 I CA 4.587 65.859 61.300 -0.047 0.000 1.347 17 I CB -0.322 37.646 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 66.884 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 0.314 8.462 8.190 -0.070 0.000 0.447 19 R N -0.688 119.774 120.500 -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 -1.591 118.788 120.400 -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 3.295 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 66.893 62.100 -0.025 0.000 1.146 21 T CB -0.355 68.495 68.868 -0.030 0.000 0.865 21 T HN -0.290 7.920 8.240 -0.034 0.009 0.435 22 I N 0.976 121.529 120.570 -0.029 0.000 2.202 22 I HA -0.466 nan 4.170 nan 0.000 0.242 22 I C 1.327 177.434 176.117 -0.016 0.000 1.091 22 I CA 4.571 65.855 61.300 -0.026 0.000 1.368 22 I CB -0.321 37.660 38.000 -0.033 0.000 1.058 22 I HN -0.291 7.898 8.210 -0.035 0.000 0.410 23 V N -0.225 119.680 119.914 -0.015 0.000 2.324 23 V HA -0.614 nan 4.120 nan 0.000 0.250 23 V C 1.971 178.062 176.094 -0.005 0.000 1.060 23 V CA 4.826 67.122 62.300 -0.007 0.000 1.042 23 V CB -1.074 30.744 31.823 -0.008 0.000 0.650 23 V HN 0.279 8.456 8.190 -0.020 0.000 0.450 24 N N -1.936 116.759 118.700 -0.008 0.000 2.069 24 N HA -0.354 nan 4.740 nan 0.000 0.191 24 N C 2.092 177.598 175.510 -0.005 0.000 1.031 24 N CA 3.475 56.521 53.050 -0.006 0.000 0.852 24 N CB 0.114 38.596 38.487 -0.009 0.000 1.018 24 N HN -0.330 8.044 8.380 -0.012 -0.001 0.423 25 E N -0.138 120.057 120.200 -0.009 0.000 2.106 25 E HA -0.258 nan 4.350 nan 0.000 0.192 25 E C 2.483 179.079 176.600 -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 29.504 29.700 -0.016 0.000 0.750 25 E HN -0.455 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 1.905 178.779 176.870 0.006 0.000 1.087 26 L CA 2.978 57.819 54.840 0.003 0.000 0.757 26 L CB -0.379 41.686 42.059 0.011 0.000 0.896 26 L HN 0.284 8.499 8.230 -0.005 0.012 0.434 27 R N -2.590 117.913 120.500 0.005 0.000 2.120 27 R HA -0.252 nan 4.340 nan 0.000 0.234 27 R C 1.060 177.364 176.300 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 -0.282 7.975 8.270 0.003 0.015 0.446 28 S N -2.982 112.720 115.700 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 1.448 59.650 58.200 0.003 0.000 0.920 28 S CB 1.295 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 0.865 121.263 120.400 -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 1.333 42.124 40.800 -0.014 0.000 1.143 29 D HN -0.041 8.223 8.370 -0.003 0.104 0.529 30 P HA -0.128 nan 4.420 nan 0.000 0.228 30 P C 0.242 177.533 177.300 -0.016 0.000 1.151 30 P CA 1.124 64.227 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 -1.969 118.510 120.500 -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 -0.657 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 0.275 176.327 176.117 -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 -0.214 7.807 8.210 -0.053 0.156 0.420 33 A N -2.063 120.697 122.820 -0.101 0.000 1.902 33 A HA -0.324 nan 4.320 nan 0.000 0.217 33 A C 1.678 179.138 177.584 -0.205 0.000 1.181 33 A CA 3.198 55.194 52.037 -0.068 0.000 0.623 33 A CB -1.239 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 -1.283 121.194 122.820 -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 -0.991 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 1.355 121.859 120.570 -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 3.770 65.029 61.300 -0.068 0.000 1.374 36 I CB -0.119 37.846 38.000 -0.059 0.000 1.057 36 I HN -0.112 8.026 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 1.401 178.381 176.870 0.183 0.000 1.076 37 L CA 3.409 58.357 54.840 0.179 0.000 0.749 37 L CB -0.607 41.630 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 -1.126 119.423 120.500 0.081 0.000 2.096 38 R HA -0.337 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 59.672 56.100 0.040 0.000 0.968 38 R CB -0.234 30.019 30.300 -0.079 0.000 0.861 38 R HN -0.355 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 3.239 58.056 54.840 -0.037 0.000 0.747 39 L CB -0.580 41.428 42.059 -0.085 0.000 0.896 39 L HN -0.211 7.896 8.230 -0.066 0.084 0.432 40 H N 0.303 119.407 119.070 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 59.910 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 -0.494 7.920 8.280 0.224 0.000 0.501 41 F N 0.661 120.588 119.950 -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 -0.086 0.000 1.214 41 F CB -0.590 38.366 39.000 -0.074 0.000 0.978 41 F HN -0.266 8.237 8.300 0.339 0.000 0.474 42 H N -2.452 116.345 119.070 -0.455 0.000 2.491 42 H HA -0.318 nan 4.556 nan 0.000 0.290 42 H C 1.784 176.990 175.328 -0.203 0.000 1.050 42 H CA 2.064 57.815 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 -0.001 8.269 8.280 -0.017 0.000 0.554 43 D N -0.742 119.671 120.400 0.021 0.000 2.091 43 D HA -0.108 nan 4.640 nan 0.000 0.199 43 D C 2.322 178.620 176.300 -0.003 0.000 0.980 43 D CA 2.530 56.550 54.000 0.033 0.000 0.831 43 D CB 0.444 41.287 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 0.008 118.577 118.600 -0.052 0.000 2.422 44 c HA -0.242 nan 4.570 nan 0.000 0.279 44 c C 2.502 176.617 174.090 0.042 0.000 1.305 44 c CA 3.752 60.064 56.329 -0.028 0.000 1.757 44 c CB -1.285 41.170 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 -2.069 117.758 119.950 -0.204 0.000 2.661 45 F HA -0.100 nan 4.527 nan 0.000 0.298 45 F C -0.262 175.424 175.800 -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 -0.660 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 0.064 nan 4.120 nan 0.000 0.274 46 V C -1.118 174.929 176.094 -0.079 0.000 1.023 46 V CA -1.663 60.609 62.300 -0.045 0.000 0.808 46 V CB -1.261 30.564 31.823 0.004 0.000 1.035 46 V HN -0.661 7.479 8.190 0.002 0.051 0.445 47 N N 2.688 121.272 118.700 -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 53.742 53.050 -0.268 0.000 0.724 47 N CB -0.356 37.802 38.487 -0.550 0.000 1.090 47 N HN 0.623 8.884 8.380 -0.199 0.000 0.558 48 G N -4.752 103.980 108.800 -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 -0.632 174.251 174.900 -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 2.806 121.399 118.600 -0.011 0.000 2.305 49 c HA 0.009 nan 4.570 nan 0.000 0.378 49 c C -0.323 173.794 174.090 0.046 0.000 1.047 49 c CA -0.984 55.364 56.329 0.031 0.000 1.385 49 c CB -2.748 39.808 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 1.294 121.726 120.400 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 -1.491 52.542 54.000 0.055 0.000 0.807 50 D CB -0.114 40.726 40.800 0.066 0.000 1.084 50 D HN -0.354 8.223 8.370 0.056 -0.172 0.510 51 A N -1.878 120.987 122.820 0.074 0.000 2.847 51 A HA -0.448 nan 4.320 nan 0.000 0.263 51 A C 1.200 178.814 177.584 0.050 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 -0.957 114.773 115.700 0.050 0.000 2.399 52 S HA -0.276 nan 4.470 nan 0.000 0.231 52 S C 1.764 176.351 174.600 -0.023 0.000 1.022 52 S CA 2.795 60.985 58.200 -0.016 0.000 0.983 52 S CB 0.071 63.319 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 0.242 120.843 120.570 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 1.817 63.168 61.300 0.085 0.000 1.463 53 I CB -0.087 38.006 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 -3.759 117.517 121.223 0.089 0.000 2.509 54 L HA -0.085 nan 4.340 nan 0.000 0.222 54 L C -0.065 176.796 176.870 -0.014 0.000 1.123 54 L CA 0.048 54.938 54.840 0.083 0.000 0.856 54 L CB 0.302 42.435 42.059 0.124 0.000 0.985 54 L HN -0.832 7.273 8.230 0.073 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 0.245 55.094 54.840 0.014 0.000 0.845 55 L CB 0.163 42.246 42.059 0.039 0.000 1.119 55 L HN -0.939 7.233 8.230 -0.027 0.042 0.464 56 D N 3.430 123.834 120.400 0.006 0.000 2.388 56 D HA 0.052 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 1.320 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 -1.580 117.089 118.700 -0.052 0.000 2.353 57 N HA -0.151 nan 4.740 nan 0.000 0.248 57 N C -0.140 175.233 175.510 -0.228 0.000 1.240 57 N CA 1.304 54.292 53.050 -0.104 0.000 0.862 57 N CB 0.551 38.982 38.487 -0.093 0.000 1.086 57 N HN -0.001 8.342 8.380 -0.063 0.000 0.453 58 T N -1.815 112.483 114.554 -0.426 0.000 2.804 58 T HA 0.407 nan 4.350 nan 0.000 0.290 58 T C 0.852 175.322 174.700 -0.382 0.000 1.099 58 T CA -0.515 61.292 62.100 -0.488 0.000 1.011 58 T CB 1.960 70.323 68.868 -0.843 0.000 1.291 58 T HN 0.221 8.195 8.240 -0.443 0.000 0.523 59 T N -5.720 108.661 114.554 -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 1.312 63.298 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 2.154 117.677 115.700 -0.296 0.000 2.486 60 S HA -0.001 nan 4.470 nan 0.000 0.220 60 S C -0.755 173.790 174.600 -0.092 0.000 1.011 60 S CA 0.801 58.896 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 0.038 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 -2.231 173.512 175.800 -0.094 0.000 1.112 61 F CA -1.281 56.664 58.000 -0.092 0.000 0.972 61 F CB 1.528 40.442 39.000 -0.143 0.000 1.295 61 F HN -0.622 7.132 8.300 -0.740 0.102 0.440 62 R N 0.563 121.170 120.500 0.179 0.000 2.441 62 R HA 0.291 nan 4.340 nan 0.000 0.284 62 R C -0.244 176.136 176.300 0.133 0.000 1.070 62 R CA -0.965 55.187 56.100 0.087 0.000 1.047 62 R CB 0.511 30.831 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 2.375 116.968 114.554 0.066 0.000 2.919 63 T HA 0.094 nan 4.350 nan 0.000 0.302 63 T C 1.458 176.143 174.700 -0.024 0.000 1.031 63 T CA -0.585 61.531 62.100 0.027 0.000 1.127 63 T CB 1.021 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 6.596 126.771 120.200 -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 2.696 59.075 56.400 -0.035 0.000 0.862 64 E CB -0.269 29.422 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 -1.205 119.174 120.400 -0.034 0.000 2.360 65 K HA -0.279 nan 4.320 nan 0.000 0.201 65 K C 0.661 177.267 176.600 0.011 0.000 1.046 65 K CA 2.308 58.587 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 0.051 0.464 66 D N -3.483 116.904 120.400 -0.022 0.000 2.339 66 D HA 0.074 nan 4.640 nan 0.000 0.217 66 D C -0.156 176.092 176.300 -0.087 0.000 1.050 66 D CA -0.210 53.775 54.000 -0.024 0.000 0.856 66 D CB 0.362 41.141 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 0.571 52.468 52.037 -0.234 0.000 0.774 67 A CB 0.733 19.645 19.000 -0.147 0.000 1.015 67 A HN -0.322 7.602 8.150 -0.062 0.189 0.498 68 F N 0.848 120.839 119.950 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 2.346 60.404 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 0.582 8.847 8.300 -0.656 -0.359 0.485 69 G N -4.652 104.257 108.800 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 -0.735 174.280 174.900 0.192 0.000 1.165 69 G CA -0.208 44.961 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 0.431 119.237 118.700 0.176 0.000 2.516 70 N HA 0.074 nan 4.740 nan 0.000 0.197 70 N C -0.578 175.057 175.510 0.209 0.000 1.064 70 N CA -0.090 53.094 53.050 0.223 0.000 0.866 70 N CB 1.872 40.470 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 1.799 124.728 122.820 0.181 0.000 2.566 71 A HA -0.165 nan 4.320 nan 0.000 0.245 71 A C -0.422 177.276 177.584 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 18.702 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 1.327 120.124 118.700 0.162 0.000 2.714 72 N HA -0.324 nan 4.740 nan 0.000 0.252 72 N C -1.260 174.361 175.510 0.186 0.000 1.014 72 N CA 1.603 54.744 53.050 0.152 0.000 0.735 72 N CB -1.723 36.841 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 0.195 0.000 4.257 73 S HA 0.041 nan 4.470 nan 0.000 0.208 73 S C -1.125 173.560 174.600 0.142 0.000 1.152 73 S CA 0.678 58.998 58.200 0.201 0.000 1.110 73 S CB 2.042 65.397 63.200 0.259 0.000 1.434 73 S HN -0.482 7.940 8.310 0.194 0.004 0.509 74 A N 2.554 125.470 122.820 0.161 0.000 2.498 74 A HA -0.064 nan 4.320 nan 0.000 0.239 74 A C -1.514 176.106 177.584 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 -0.190 7.974 8.150 0.208 0.110 0.497 75 R N 2.116 122.497 120.500 -0.197 0.000 2.733 75 R HA 0.127 nan 4.340 nan 0.000 0.272 75 R C -0.876 175.150 176.300 -0.456 0.000 1.029 75 R CA -1.189 54.780 56.100 -0.218 0.000 0.888 75 R CB 1.486 31.753 30.300 -0.055 0.000 1.251 75 R HN -0.014 8.089 8.270 -0.278 0.000 0.464 76 G N -2.883 105.723 108.800 -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 44.954 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 0.720 120.676 119.950 0.010 0.000 2.091 77 F HA -0.204 nan 4.527 nan 0.000 0.299 77 F C -0.848 174.955 175.800 0.006 0.000 1.103 77 F CA 4.120 62.127 58.000 0.011 0.000 1.228 77 F CB -2.396 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 1.038 178.371 177.300 0.054 0.000 1.149 78 P CA 3.021 66.181 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 -1.598 118.333 119.914 0.028 0.000 2.427 79 V HA -0.342 nan 4.120 nan 0.000 0.248 79 V C 2.010 178.106 176.094 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 -0.536 120.045 120.570 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 36.184 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 3.815 57.838 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 -0.322 120.187 120.500 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 3.276 59.378 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 -0.159 8.052 8.270 0.021 0.071 0.433 83 M N -2.719 116.875 119.600 -0.011 0.000 2.229 83 M HA -0.170 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 3.446 58.732 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 -0.018 8.268 8.290 -0.007 0.000 0.420 84 K N 0.699 121.089 120.400 -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 2.422 58.699 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 -1.697 121.117 122.820 -0.010 0.000 1.902 85 A HA -0.240 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 3.016 55.047 52.037 -0.010 0.000 0.623 85 A CB -1.051 17.946 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 -2.499 120.308 122.820 -0.020 0.000 1.902 86 A HA -0.248 nan 4.320 nan 0.000 0.217 86 A C 1.987 179.550 177.584 -0.034 0.000 1.181 86 A CA 3.119 55.141 52.037 -0.025 0.000 0.623 86 A CB -0.419 18.565 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 -3.547 116.340 119.914 -0.045 0.000 2.719 87 V HA -0.217 nan 4.120 nan 0.000 0.252 87 V C 1.598 177.661 176.094 -0.052 0.000 1.065 87 V CA 3.097 65.360 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 8.216 8.190 -0.043 0.073 0.467 88 E N 1.263 121.441 120.200 -0.037 0.000 2.106 88 E HA -0.268 nan 4.350 nan 0.000 0.192 88 E C 2.030 178.617 176.600 -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 0.325 8.579 8.360 -0.033 0.086 0.458 89 S N -1.325 114.362 115.700 -0.021 0.000 2.382 89 S HA -0.209 nan 4.470 nan 0.000 0.228 89 S C 1.357 175.946 174.600 -0.019 0.000 1.027 89 S CA 2.143 60.333 58.200 -0.017 0.000 0.991 89 S CB 0.324 63.514 63.200 -0.016 0.000 0.823 89 S HN -0.214 8.075 8.310 -0.022 0.008 0.469 90 A N -0.137 122.667 122.820 -0.027 0.000 1.935 90 A HA -0.040 nan 4.320 nan 0.000 0.214 90 A C -0.383 177.184 177.584 -0.028 0.000 1.178 90 A CA 1.532 53.553 52.037 -0.028 0.000 0.640 90 A CB 1.214 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 -1.240 117.340 118.600 -0.035 0.000 3.328 91 c HA 0.442 nan 4.570 nan 0.000 0.230 91 c C -2.857 171.219 174.090 -0.023 0.000 1.232 91 c CA -2.683 53.628 56.329 -0.030 0.000 1.431 91 c CB -1.039 41.440 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 1.077 64.174 63.100 -0.005 0.000 0.761 92 P CB 0.163 31.862 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 -0.139 176.187 176.300 0.043 0.000 1.123 93 R CA 1.646 57.760 56.100 0.023 0.000 0.747 93 R CB -2.788 27.528 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 -6.464 108.110 114.554 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 0.114 0.000 0.997 94 T CA 0.611 62.763 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 -0.527 7.695 8.240 0.001 0.019 0.483 95 V N 4.809 124.690 119.914 -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 -1.747 60.455 62.300 -0.162 0.000 0.889 95 V CB -0.390 31.167 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 4.909 120.661 115.700 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 57.899 58.200 0.064 0.000 1.015 96 S CB 1.469 64.718 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 1.814 120.433 118.600 0.032 0.000 2.435 97 c HA -0.198 nan 4.570 nan 0.000 0.279 97 c C 1.879 175.995 174.090 0.045 0.000 1.321 97 c CA 3.757 60.106 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 0.284 123.136 122.820 0.053 0.000 1.883 98 A HA -0.365 nan 4.320 nan 0.000 0.217 98 A C 1.734 179.355 177.584 0.062 0.000 1.186 98 A CA 3.636 55.714 52.037 0.067 0.000 0.624 98 A CB -0.954 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 -0.665 119.766 120.400 0.052 0.000 2.117 99 D HA -0.189 nan 4.640 nan 0.000 0.198 99 D C 2.106 178.410 176.300 0.007 0.000 0.982 99 D CA 3.098 57.133 54.000 0.058 0.000 0.828 99 D CB -0.206 40.703 40.800 0.182 0.000 0.967 99 D HN -0.666 7.740 8.370 0.059 0.000 0.464 100 L N 0.285 121.502 121.223 -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 -2.845 118.363 121.223 -0.025 0.000 2.156 101 L HA -0.262 nan 4.340 nan 0.000 0.208 101 L C 1.683 178.446 176.870 -0.178 0.000 1.095 101 L CA 3.129 57.952 54.840 -0.028 0.000 0.770 101 L CB -0.693 41.413 42.059 0.079 0.000 0.914 101 L HN -0.013 8.222 8.230 0.009 0.000 0.439 102 T N 3.219 117.634 114.554 -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 67.086 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 1.079 121.510 120.570 -0.231 0.000 2.208 103 I HA -0.558 nan 4.170 nan 0.000 0.245 103 I C 1.341 177.319 176.117 -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 -0.182 0.000 1.908 104 A HA -0.375 nan 4.320 nan 0.000 0.218 104 A C 1.768 179.263 177.584 -0.148 0.000 1.181 104 A CA 3.295 55.247 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 17.855 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 -0.366 7.687 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 -0.406 28.242 28.738 -0.150 0.000 0.901 107 Q HN 0.251 8.351 8.270 -0.283 0.000 0.429 108 S N 0.942 116.596 115.700 -0.077 0.000 2.382 108 S HA -0.346 nan 4.470 nan 0.000 0.228 108 S C 2.361 176.984 174.600 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 63.087 63.200 0.051 0.000 0.823 108 S HN 0.112 8.365 8.310 -0.096 0.000 0.469 109 V N 1.697 121.564 119.914 -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 4.796 66.883 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 7.652 8.190 -0.086 0.098 0.449 110 T N 2.504 116.933 114.554 -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 68.343 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 -0.237 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 57.416 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 0.337 8.530 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 -0.184 177.471 177.584 0.118 0.000 1.228 112 A CA -0.376 51.759 52.037 0.163 0.000 0.857 112 A CB 0.200 19.409 19.000 0.349 0.000 0.897 112 A HN -0.355 7.678 8.150 0.033 0.136 0.495 113 G N -3.610 105.223 108.800 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 -0.085 174.856 174.900 0.068 0.000 0.988 113 G CA -0.399 44.749 45.100 0.082 0.000 0.659 113 G HN 0.085 8.158 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 -2.151 172.388 174.900 -0.602 0.000 1.350 114 G CA -2.065 42.694 45.100 -0.568 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 -0.183 62.690 63.100 -0.379 0.000 0.793 115 P CB 1.270 32.684 31.700 -0.476 0.000 0.984 116 S N -0.418 115.366 115.700 0.140 0.000 2.561 116 S HA 0.371 nan 4.470 nan 0.000 0.303 116 S C -1.765 173.041 174.600 0.345 0.000 1.110 116 S CA -1.254 57.060 58.200 0.191 0.000 1.034 116 S CB 0.772 64.010 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 2.713 123.962 121.300 -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 -0.876 56.432 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 7.920 8.180 0.036 0.000 0.575 118 R N 1.877 122.386 120.500 0.014 0.000 2.229 118 R HA 0.228 nan 4.340 nan 0.000 0.332 118 R C -0.939 175.301 176.300 -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 30.720 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 1.418 121.164 119.914 -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 -0.015 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 -0.202 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 -1.722 175.556 177.300 -0.036 0.000 1.205 120 P CA 0.569 63.675 63.100 0.010 0.000 0.771 120 P CB 0.385 32.099 31.700 0.023 0.000 0.858 121 L N 0.608 121.777 121.223 -0.090 0.000 2.250 121 L HA 0.471 nan 4.340 nan 0.000 0.252 121 L C -0.006 176.541 176.870 -0.538 0.000 1.054 121 L CA -0.930 53.792 54.840 -0.198 0.000 0.856 121 L CB 3.537 45.534 42.059 -0.104 0.000 1.443 121 L HN 0.258 8.365 8.230 -0.073 0.080 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 -1.108 173.422 174.900 -0.618 0.000 1.000 122 G CA -0.374 43.827 45.100 -1.497 0.000 0.664 122 G HN 0.251 8.643 8.290 -0.570 -0.444 0.513 123 R N -0.669 119.647 120.500 -0.308 0.000 2.637 123 R HA 0.302 nan 4.340 nan 0.000 0.269 123 R C -0.332 175.920 176.300 -0.081 0.000 1.089 123 R CA 0.129 56.145 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 -0.380 8.118 8.270 -0.267 -0.388 0.540 124 R N -1.080 119.399 120.500 -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 0.004 0.000 0.963 124 R CB 3.468 33.773 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 1.177 41.995 40.800 0.030 0.000 1.185 125 D HN 0.326 8.716 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 0.739 175.319 174.600 -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 0.067 0.000 0.909 126 S HN 0.375 8.703 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 -1.146 175.598 176.870 -0.209 0.000 1.104 127 L CA 0.572 55.378 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 -5.810 113.667 119.800 -0.538 0.000 2.565 128 Q HA 0.118 nan 4.340 nan 0.000 0.294 128 Q C -1.948 173.075 176.000 -1.629 0.000 1.005 128 Q CA -2.331 52.658 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 -0.714 120.959 122.820 -1.912 0.000 2.312 129 A HA 0.368 nan 4.320 nan 0.000 0.328 129 A C -0.636 176.280 177.584 -1.114 0.000 1.158 129 A CA -1.054 50.300 52.037 -1.139 0.000 0.821 129 A CB 1.795 20.473 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 1.268 121.111 119.950 -0.177 0.000 2.371 130 F HA 0.251 nan 4.527 nan 0.000 0.343 130 F C -0.196 175.552 175.800 -0.086 0.000 1.150 130 F CA -1.440 56.491 58.000 -0.116 0.000 1.220 130 F CB -0.794 38.143 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 3.345 124.579 121.223 0.019 0.000 2.012 131 L HA -0.373 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 3.981 58.806 54.840 -0.025 0.000 0.748 131 L CB -0.029 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 -1.160 119.243 120.400 0.005 0.000 2.117 132 D HA -0.301 nan 4.640 nan 0.000 0.197 132 D C 2.437 178.747 176.300 0.017 0.000 0.987 132 D CA 3.694 57.697 54.000 0.006 0.000 0.829 132 D CB -0.697 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 -0.263 120.985 121.223 0.042 0.000 2.046 133 L HA -0.270 nan 4.340 nan 0.000 0.208 133 L C 1.279 178.151 176.870 0.003 0.000 1.077 133 L CA 2.373 57.223 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 -1.128 121.692 122.820 0.001 0.000 1.902 134 A HA -0.409 nan 4.320 nan 0.000 0.217 134 A C 2.056 179.608 177.584 -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 0.368 8.465 8.150 0.030 0.071 0.443 135 N N -1.342 117.320 118.700 -0.064 0.000 2.223 135 N HA -0.268 nan 4.740 nan 0.000 0.185 135 N C 1.819 177.397 175.510 0.113 0.000 1.016 135 N CA 2.535 55.574 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 -1.542 121.326 122.820 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 0.290 19.332 19.000 0.071 0.000 0.818 136 A HN -0.307 7.749 8.150 0.041 0.119 0.453 137 N N -3.470 115.272 118.700 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 1.324 39.829 38.487 0.030 0.000 1.036 137 N HN -0.256 8.053 8.380 0.036 0.092 0.449 138 L N 1.248 122.471 121.223 -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 -1.313 53.435 54.840 -0.154 0.000 0.845 138 L CB -0.446 41.395 42.059 -0.364 0.000 1.143 138 L HN -0.701 7.519 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 -0.802 62.030 63.100 -0.446 0.000 0.793 139 P CB 1.044 32.712 31.700 -0.053 0.000 0.977 140 A N -0.688 121.111 122.820 -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 48.621 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 6.129 8.150 -3.473 0.000 0.452 141 P HA -0.145 nan 4.420 nan 0.000 0.219 141 P C -0.080 177.242 177.300 0.037 0.000 1.146 141 P CA 2.281 65.308 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 -7.397 112.661 119.950 0.180 0.000 2.773 142 F HA 0.114 nan 4.527 nan 0.000 0.304 142 F C -1.073 174.973 175.800 0.409 0.000 1.129 142 F CA -1.727 56.435 58.000 0.271 0.000 1.378 142 F CB -0.792 38.346 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 2.132 122.018 119.950 -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 -1.012 57.000 58.000 0.019 0.000 1.268 143 F CB 0.476 39.458 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 0.247 0.000 2.788 144 T HA 0.233 nan 4.350 nan 0.000 0.280 144 T C 0.786 175.585 174.700 0.166 0.000 0.984 144 T CA -2.040 60.170 62.100 0.184 0.000 0.972 144 T CB 2.229 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 0.317 121.617 121.223 0.128 0.000 2.012 145 L HA -0.040 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 4.362 59.263 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 2.032 179.363 177.300 0.053 0.000 1.149 146 P CA 3.025 66.153 63.100 0.048 0.000 0.817 146 P CB -0.544 31.174 31.700 0.029 0.000 0.785 147 Q N -1.673 118.151 119.800 0.039 0.000 2.083 147 Q HA -0.278 nan 4.340 nan 0.000 0.198 147 Q C 2.684 178.799 176.000 0.193 0.000 0.969 147 Q CA 3.317 59.108 55.803 -0.020 0.000 0.838 147 Q CB -0.172 28.395 28.738 -0.285 0.000 0.900 147 Q HN -0.643 7.554 8.270 0.046 0.101 0.436 148 L N -0.036 121.362 121.223 0.292 0.000 2.017 148 L HA -0.438 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 3.441 58.498 54.840 0.363 0.000 0.745 148 L CB -0.464 41.719 42.059 0.207 0.000 0.894 148 L HN 0.234 8.528 8.230 0.231 0.074 0.432 149 K N -1.362 119.131 120.400 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 3.753 60.115 56.287 0.126 0.000 0.928 149 K CB -0.493 32.049 32.500 0.070 0.000 0.713 149 K HN 0.232 8.558 8.250 0.126 0.000 0.442 150 D N -0.859 119.640 120.400 0.166 0.000 2.117 150 D HA -0.174 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 3.111 57.196 54.000 0.140 0.000 0.829 150 D CB -0.151 40.698 40.800 0.081 0.000 0.961 150 D HN -0.276 7.996 8.370 0.140 0.182 0.460 151 S N 0.350 116.239 115.700 0.316 0.000 2.368 151 S HA -0.251 nan 4.470 nan 0.000 0.225 151 S C 2.355 177.189 174.600 0.389 0.000 1.030 151 S CA 3.208 61.647 58.200 0.398 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 0.635 120.730 119.950 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 61.162 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 -0.174 8.598 8.300 0.788 0.000 0.492 153 R N -0.534 120.101 120.500 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 1.051 176.479 175.510 -0.136 0.000 1.013 154 N CA 2.967 55.990 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 -0.107 8.304 8.380 0.068 0.009 0.430 155 V N -8.851 110.910 119.914 -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 -0.736 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 -0.709 107.998 108.800 -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 -0.279 174.598 174.900 -0.039 0.000 0.986 156 G CA 0.092 45.139 45.100 -0.088 0.000 0.643 156 G HN -0.085 7.919 8.290 -0.123 0.212 0.522 157 L N 2.366 123.575 121.223 -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 54.289 54.840 0.109 0.000 1.144 157 L CB -1.550 40.642 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 0.923 119.682 118.700 0.098 0.000 2.383 158 N HA -0.052 nan 4.740 nan 0.000 0.192 158 N C -0.050 175.508 175.510 0.080 0.000 1.141 158 N CA 0.064 53.166 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 -0.309 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 0.392 176.733 176.300 0.067 0.000 0.970 159 R CA -1.177 54.964 56.100 0.069 0.000 0.946 159 R CB 1.690 32.031 30.300 0.068 0.000 1.127 159 R HN -0.483 8.088 8.270 0.115 -0.232 0.473 160 S N 3.863 119.588 115.700 0.041 0.000 2.399 160 S HA -0.372 nan 4.470 nan 0.000 0.231 160 S C 1.445 176.075 174.600 0.049 0.000 1.022 160 S CA 3.337 61.550 58.200 0.022 0.000 0.983 160 S CB -0.318 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 0.488 116.240 115.700 0.086 0.000 2.399 161 S HA -0.273 nan 4.470 nan 0.000 0.231 161 S C 1.747 176.463 174.600 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 -0.267 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 2.971 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 -0.417 120.771 121.223 -0.059 0.000 2.056 163 L HA -0.202 nan 4.340 nan 0.000 0.207 163 L C 1.811 178.629 176.870 -0.087 0.000 1.078 163 L CA 3.174 57.756 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 -1.192 118.783 119.914 0.102 0.000 2.379 164 V HA -0.445 nan 4.120 nan 0.000 0.245 164 V C 1.937 178.359 176.094 0.547 0.000 1.044 164 V CA 4.459 66.942 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 0.115 8.355 8.190 0.084 0.000 0.453 165 A N -0.247 122.893 122.820 0.534 0.000 1.873 165 A HA -0.233 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 55.777 52.037 0.531 0.000 0.616 165 A CB -0.655 18.521 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 -2.965 118.424 121.223 0.276 0.000 2.201 166 L HA -0.341 nan 4.340 nan 0.000 0.212 166 L C 2.548 179.433 176.870 0.025 0.000 1.105 166 L CA 2.497 57.443 54.840 0.176 0.000 0.775 166 L CB -0.464 41.683 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 -0.028 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 3.577 61.586 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 -0.003 108.581 108.800 -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 0.898 45.596 45.100 -0.670 0.000 0.774 168 G HN -0.017 8.196 8.290 0.131 0.156 0.543 169 G N 0.462 109.052 108.800 -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 0.826 45.850 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 -0.604 118.073 119.070 -0.655 0.000 2.547 170 H HA 0.013 nan 4.556 nan 0.000 0.274 170 H C 0.180 175.306 175.328 -0.338 0.000 1.024 170 H CA -0.549 55.076 56.048 -0.705 0.000 1.155 170 H CB -0.457 28.802 29.762 -0.839 0.000 1.344 170 H HN -0.516 6.992 8.280 -1.019 0.161 0.598 171 T N -0.051 114.313 114.554 -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 1.212 63.169 62.100 -0.238 0.000 1.090 171 T CB 0.463 68.951 68.868 -0.632 0.000 0.922 171 T HN -0.195 7.556 8.240 -0.503 0.187 0.521 172 F N -4.804 115.139 119.950 -0.013 0.000 2.923 172 F HA 0.554 nan 4.527 nan 0.000 0.323 172 F C -0.860 175.032 175.800 0.153 0.000 1.189 172 F CA -2.819 55.232 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 -1.220 107.660 108.800 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 8.234 8.290 0.124 0.000 0.553 174 K N -0.338 120.193 120.400 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 -1.712 54.636 56.287 0.101 0.000 0.845 174 K CB 3.121 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 0.999 119.600 118.700 -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 3.176 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 2.958 122.859 119.800 0.168 0.000 2.340 176 Q HA 0.155 nan 4.340 nan 0.000 0.249 176 Q C 1.245 177.225 176.000 -0.034 0.000 0.957 176 Q CA 0.335 56.163 55.803 0.040 0.000 0.882 176 Q CB 1.586 30.296 28.738 -0.046 0.000 1.235 176 Q HN 0.156 8.667 8.270 0.403 0.000 0.439 177 c N 3.990 122.545 118.600 -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 3.895 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 1.233 121.594 120.500 -0.231 0.000 2.139 178 R HA -0.365 nan 4.340 nan 0.000 0.243 178 R C 2.356 178.506 176.300 -0.251 0.000 1.145 178 R CA 2.995 58.914 56.100 -0.302 0.000 0.976 178 R CB -1.032 28.972 30.300 -0.493 0.000 0.866 178 R HN 0.041 8.144 8.270 -0.254 0.014 0.449 179 F N -2.988 116.990 119.950 0.046 0.000 2.748 179 F HA -0.102 nan 4.527 nan 0.000 0.299 179 F C 0.051 175.891 175.800 0.066 0.000 1.154 179 F CA 1.720 59.764 58.000 0.073 0.000 1.446 179 F CB 0.135 39.176 39.000 0.069 0.000 1.112 179 F HN -0.437 7.549 8.300 -0.306 0.131 0.584 180 I N -7.778 112.880 120.570 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 -0.512 60.839 61.300 0.085 0.000 1.136 180 I CB 1.577 39.567 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 -0.433 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 3.435 58.822 55.300 0.147 0.000 1.110 181 M CB -1.679 31.011 32.600 0.151 0.000 1.328 181 M HN -0.659 7.677 8.290 0.077 0.000 0.405 182 D N -2.145 118.356 120.400 0.169 0.000 2.158 182 D HA -0.303 nan 4.640 nan 0.000 0.197 182 D C 2.441 178.915 176.300 0.290 0.000 0.995 182 D CA 3.084 57.195 54.000 0.185 0.000 0.846 182 D CB -0.683 40.186 40.800 0.114 0.000 0.941 182 D HN 0.355 8.815 8.370 0.151 0.000 0.456 183 R N -1.839 118.809 120.500 0.246 0.000 2.093 183 R HA -0.151 nan 4.340 nan 0.000 0.224 183 R C 2.383 178.639 176.300 -0.073 0.000 1.101 183 R CA 2.506 58.684 56.100 0.129 0.000 0.979 183 R CB 0.171 30.462 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 -1.844 119.259 121.223 -0.200 0.000 2.270 184 L HA -0.229 nan 4.340 nan 0.000 0.210 184 L C 1.506 177.962 176.870 -0.690 0.000 1.104 184 L CA 2.917 57.430 54.840 -0.544 0.000 0.804 184 L CB -0.036 41.494 42.059 -0.881 0.000 0.937 184 L HN -0.417 7.645 8.230 -0.121 0.095 0.450 185 Y N -6.322 114.002 120.300 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 0.791 58.912 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 -0.533 118.306 118.700 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 52.565 53.050 0.164 0.000 0.804 186 N CB 0.776 39.329 38.487 0.111 0.000 1.237 186 N HN -0.756 7.775 8.380 0.250 0.000 0.532 187 F N 6.238 126.211 119.950 0.039 0.000 2.444 187 F HA 0.098 nan 4.527 nan 0.000 0.360 187 F C -0.601 175.220 175.800 0.035 0.000 1.106 187 F CA -0.179 57.843 58.000 0.036 0.000 1.170 187 F CB 1.160 40.176 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 8.537 123.876 115.700 -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 -0.188 0.000 0.993 188 S CA 1.111 59.031 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 -3.296 115.340 118.700 -0.107 0.000 2.732 189 N HA -0.284 nan 4.740 nan 0.000 0.250 189 N C 0.547 176.052 175.510 -0.009 0.000 1.097 189 N CA 1.191 54.214 53.050 -0.044 0.000 0.812 189 N CB -0.411 38.046 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 -6.274 108.288 114.554 0.014 0.000 3.085 190 T HA 0.039 nan 4.350 nan 0.000 0.263 190 T C 1.547 176.280 174.700 0.055 0.000 1.127 190 T CA 0.480 62.608 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 -0.199 7.870 8.240 0.006 0.175 0.510 191 G N 2.089 110.925 108.800 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 -1.104 173.845 174.900 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 -0.276 0.533 192 L N -1.142 120.142 121.223 0.101 0.000 2.359 192 L HA 0.546 nan 4.340 nan 0.000 0.256 192 L C -2.100 174.844 176.870 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 44.519 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 0.105 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 -0.601 62.507 63.100 0.012 0.000 0.795 193 P CB 0.353 32.010 31.700 -0.073 0.000 1.006 194 D N 0.650 120.917 120.400 -0.222 0.000 2.412 194 D HA 0.026 nan 4.640 nan 0.000 0.257 194 D C 0.757 176.885 176.300 -0.287 0.000 1.217 194 D CA -2.031 51.615 54.000 -0.589 0.000 0.897 194 D CB 0.305 40.496 40.800 -1.015 0.000 1.132 194 D HN -0.156 8.094 8.370 -0.200 0.000 0.493 195 P HA -0.134 nan 4.420 nan 0.000 0.223 195 P C -0.039 177.210 177.300 -0.085 0.000 1.144 195 P CA 1.444 64.493 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 -6.705 107.771 114.554 -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 -0.741 61.316 62.100 -0.072 0.000 0.989 196 T CB -0.010 68.825 68.868 -0.055 0.000 0.992 196 T HN -0.168 8.227 8.240 -0.219 -0.286 0.540 197 L N 2.272 123.432 121.223 -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 1.201 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 7.301 126.015 118.700 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 1.299 54.371 53.050 0.037 0.000 0.845 198 N CB 1.579 40.105 38.487 0.064 0.000 1.064 198 N HN 0.102 8.510 8.380 0.047 0.000 0.471 199 T N 1.131 115.692 114.554 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 2.965 65.066 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 1.476 176.240 174.700 0.107 0.000 1.042 200 T CA 4.334 66.463 62.100 0.048 0.000 1.140 200 T CB -0.589 68.297 68.868 0.029 0.000 0.870 200 T HN -0.155 8.305 8.240 0.036 -0.199 0.445 201 Y N 3.020 123.290 120.300 -0.049 0.000 2.224 201 Y HA -0.272 nan 4.550 nan 0.000 0.289 201 Y C 1.115 176.976 175.900 -0.064 0.000 1.146 201 Y CA 0.657 58.724 58.100 -0.055 0.000 1.182 201 Y CB -0.290 38.132 38.460 -0.062 0.000 0.983 201 Y HN -0.166 8.568 8.280 0.189 -0.340 0.524 202 L N -0.585 120.620 121.223 -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 3.704 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 -2.622 117.153 119.800 -0.042 0.000 2.050 203 Q HA -0.333 nan 4.340 nan 0.000 0.202 203 Q C 2.867 178.860 176.000 -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 4.780 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 7.609 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 58.172 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 0.329 8.459 8.230 -0.168 0.000 0.432 206 R N -2.736 117.696 120.500 -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 2.922 59.007 56.100 -0.026 0.000 0.981 206 R CB -0.467 29.818 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 -1.979 106.830 108.800 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 0.427 175.339 174.900 0.020 0.000 1.154 207 G CA 1.035 46.149 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 -1.632 119.594 121.223 0.005 0.000 2.179 208 L HA -0.004 nan 4.340 nan 0.000 0.208 208 L C -0.191 176.683 176.870 0.005 0.000 1.096 208 L CA 1.421 56.261 54.840 0.000 0.000 0.779 208 L CB 0.865 42.915 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 -0.528 118.083 118.600 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 -1.103 41.427 42.510 0.033 0.000 1.778 209 c HN 0.106 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 0.067 177.369 177.300 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 0.024 0.000 0.901 211 L N 2.777 123.893 121.223 -0.178 0.000 2.270 211 L HA -0.325 nan 4.340 nan 0.000 0.217 211 L C 0.024 176.764 176.870 -0.215 0.000 1.107 211 L CA 2.318 56.895 54.840 -0.438 0.000 0.772 211 L CB 0.136 41.776 42.059 -0.698 0.000 0.902 211 L HN 0.386 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 -0.646 174.833 175.510 -0.051 0.000 1.528 212 N CA -0.555 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 7.893 8.380 -0.097 0.041 0.495 213 G N -0.282 108.494 108.800 -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 -1.916 172.969 174.900 -0.025 0.000 1.402 213 G CA -1.359 43.727 45.100 -0.023 0.000 1.046 213 G HN -0.271 7.994 8.290 -0.042 0.000 0.565 214 N N -0.017 118.671 118.700 -0.021 0.000 2.406 214 N HA 0.029 nan 4.740 nan 0.000 0.251 214 N C 1.677 177.166 175.510 -0.034 0.000 1.069 214 N CA -0.691 52.344 53.050 -0.025 0.000 0.947 214 N CB 0.356 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 0.789 177.597 176.870 -0.103 0.000 1.148 215 L CA 2.006 56.798 54.840 -0.081 0.000 0.825 215 L CB -0.049 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 -2.723 112.937 115.700 -0.066 0.000 2.556 216 S HA 0.001 nan 4.470 nan 0.000 0.216 216 S C 0.004 174.588 174.600 -0.027 0.000 0.970 216 S CA 0.050 58.220 58.200 -0.050 0.000 0.912 216 S CB -0.225 62.960 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 1.166 123.968 122.820 -0.029 0.000 2.445 217 A HA 0.001 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 0.435 52.462 52.037 -0.017 0.000 0.777 217 A CB 1.201 20.192 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 0.639 121.856 121.223 -0.011 0.000 2.309 218 L HA 0.793 nan 4.340 nan 0.000 0.282 218 L C -0.125 176.728 176.870 -0.027 0.000 1.036 218 L CA -1.074 53.758 54.840 -0.014 0.000 0.806 218 L CB 1.721 43.781 42.059 0.002 0.000 1.220 218 L HN -0.049 8.178 8.230 -0.006 0.000 0.429 219 V N -1.746 118.133 119.914 -0.059 0.000 2.914 219 V HA 0.497 nan 4.120 nan 0.000 0.314 219 V C -1.528 174.514 176.094 -0.086 0.000 1.084 219 V CA -3.079 59.183 62.300 -0.062 0.000 0.963 219 V CB 3.670 35.441 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 -0.937 175.372 176.300 0.015 0.000 1.108 220 D CA 0.740 54.756 54.000 0.028 0.000 0.894 220 D CB 1.056 41.906 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 0.683 120.673 119.950 0.066 0.000 2.186 221 F HA -0.284 nan 4.527 nan 0.000 0.299 221 F C 0.178 176.045 175.800 0.112 0.000 1.090 221 F CA 3.555 61.595 58.000 0.066 0.000 1.307 221 F CB 0.953 39.980 39.000 0.047 0.000 1.019 221 F HN 0.143 8.612 8.300 0.281 0.000 0.489 222 D N -2.032 118.540 120.400 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 -1.841 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 -0.027 121.210 121.223 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 0.136 42.075 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 -0.848 119.618 120.500 -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 -4.452 110.109 114.554 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 -3.576 58.547 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 -0.650 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 -11.739 102.924 114.554 0.182 0.000 3.040 227 T HA 0.135 nan 4.350 nan 0.000 0.266 227 T C -0.318 174.546 174.700 0.274 0.000 1.005 227 T CA -1.255 60.991 62.100 0.244 0.000 0.906 227 T CB 0.189 69.153 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 -1.521 174.615 176.117 0.032 0.000 0.987 228 I CA -1.013 60.367 61.300 0.133 0.000 1.185 228 I CB 1.795 39.854 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 9.758 129.613 119.950 -0.158 0.000 2.439 229 F HA -0.161 nan 4.527 nan 0.000 0.356 229 F C -1.568 174.236 175.800 0.007 0.000 1.161 229 F CA 0.356 58.153 58.000 -0.338 0.000 1.151 229 F CB 0.131 38.789 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 4.372 124.691 120.400 -0.134 0.000 2.825 230 D HA 0.241 nan 4.640 nan 0.000 0.327 230 D C -0.939 175.410 176.300 0.081 0.000 1.277 230 D CA -1.232 52.885 54.000 0.194 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 -2.658 116.091 118.700 0.082 0.000 2.383 231 N HA -0.116 nan 4.740 nan 0.000 0.192 231 N C 1.408 176.886 175.510 -0.055 0.000 1.141 231 N CA 0.267 53.270 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 0.395 8.822 8.380 0.077 0.000 0.465 232 K N 0.306 120.665 120.400 -0.068 0.000 2.218 232 K HA -0.365 nan 4.320 nan 0.000 0.205 232 K C 1.307 177.837 176.600 -0.117 0.000 1.046 232 K CA 2.361 58.604 56.287 -0.074 0.000 0.933 232 K CB -1.415 31.050 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 0.739 120.842 120.300 -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 3.724 61.557 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 -4.269 115.878 120.300 -0.254 0.000 2.263 234 Y HA -0.380 nan 4.550 nan 0.000 0.292 234 Y C 2.224 177.927 175.900 -0.327 0.000 1.130 234 Y CA 4.201 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 7.794 8.280 -0.233 0.008 0.532 235 V N 0.023 119.860 119.914 -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 66.376 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 -0.912 117.626 118.700 -0.271 0.000 2.120 236 N HA -0.288 nan 4.740 nan 0.000 0.188 236 N C 2.257 177.566 175.510 -0.335 0.000 1.024 236 N CA 2.790 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 -0.220 8.004 8.380 -0.261 0.000 0.424 237 L N -0.604 120.348 121.223 -0.450 0.000 2.079 237 L HA -0.368 nan 4.340 nan 0.000 0.210 237 L C 2.669 179.116 176.870 -0.705 0.000 1.081 237 L CA 3.526 58.074 54.840 -0.486 0.000 0.752 237 L CB -0.583 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 -2.485 117.227 120.200 -0.813 0.000 2.268 238 E HA -0.238 nan 4.350 nan 0.000 0.195 238 E C 1.100 177.428 176.600 -0.453 0.000 0.995 238 E CA 2.275 58.080 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 -0.598 0.007 0.491 239 E N -3.606 116.411 120.200 -0.306 0.000 2.463 239 E HA 0.106 nan 4.350 nan 0.000 0.193 239 E C -0.749 175.783 176.600 -0.114 0.000 1.041 239 E CA -0.829 55.470 56.400 -0.168 0.000 0.879 239 E CB 0.407 30.011 29.700 -0.160 0.000 0.997 239 E HN -0.759 7.252 8.360 -0.337 0.146 0.478 240 Q N -5.407 114.319 119.800 -0.125 0.000 2.503 240 Q HA -0.356 nan 4.340 nan 0.000 0.267 240 Q C -0.071 175.929 176.000 -0.000 0.000 1.030 240 Q CA 1.266 57.047 55.803 -0.037 0.000 1.041 240 Q CB -2.614 26.128 28.738 0.006 0.000 1.406 240 Q HN -0.237 7.704 8.270 -0.225 0.194 0.524 241 K N -2.007 118.367 120.400 -0.044 0.000 2.498 241 K HA 0.123 nan 4.320 nan 0.000 0.207 241 K C -0.856 175.800 176.600 0.093 0.000 1.033 241 K CA -0.882 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 -1.299 107.500 108.800 -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 -0.131 174.828 174.900 0.099 0.000 1.288 242 G CA -0.326 44.771 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 5.835 127.147 121.223 0.148 0.000 2.005 243 L HA -0.049 nan 4.340 nan 0.000 0.207 243 L C -0.179 176.699 176.870 0.015 0.000 1.072 243 L CA 2.087 56.957 54.840 0.051 0.000 0.744 243 L CB 0.935 42.984 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 -8.155 112.480 120.570 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 -1.725 59.649 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 -0.930 7.597 8.210 0.200 -0.197 0.461 245 Q N 4.908 124.806 119.800 0.162 0.000 2.096 245 Q HA -0.444 nan 4.340 nan 0.000 0.208 245 Q C 1.544 177.654 176.000 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 -2.354 113.461 115.700 0.191 0.000 2.442 246 S HA -0.302 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 8.023 8.310 0.187 0.000 0.504 247 D N 2.165 122.703 120.400 0.229 0.000 2.085 247 D HA -0.092 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 56.809 54.000 0.250 0.000 0.834 247 D CB -0.054 40.920 40.800 0.290 0.000 0.992 247 D HN -0.355 8.006 8.370 0.227 0.145 0.457 248 Q N 0.257 120.117 119.800 0.100 0.000 2.170 248 Q HA -0.277 nan 4.340 nan 0.000 0.203 248 Q C 2.220 178.294 176.000 0.122 0.000 0.976 248 Q CA 2.525 58.376 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 7.891 8.270 0.114 0.000 0.433 249 E N -0.110 120.165 120.200 0.125 0.000 2.204 249 E HA -0.276 nan 4.350 nan 0.000 0.195 249 E C 2.778 179.446 176.600 0.113 0.000 0.990 249 E CA 2.653 59.124 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 8.200 8.360 0.132 0.019 0.477 250 L N -1.776 119.527 121.223 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 57.572 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 -0.461 7.823 8.230 0.141 0.031 0.441 251 F N -0.920 119.031 119.950 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 2.043 60.034 58.000 -0.015 0.000 1.356 251 F CB 1.731 40.712 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 0.033 nan 4.470 nan 0.000 0.215 252 S C -0.663 173.930 174.600 -0.010 0.000 0.986 252 S CA 0.675 58.884 58.200 0.015 0.000 0.911 252 S CB 0.522 63.777 63.200 0.091 0.000 0.805 252 S HN -0.079 8.338 8.310 0.178 0.000 0.501 253 S N 2.726 118.430 115.700 0.007 0.000 2.576 253 S HA 0.244 nan 4.470 nan 0.000 0.276 253 S C -0.354 174.235 174.600 -0.019 0.000 1.339 253 S CA -2.299 55.911 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 1.938 65.026 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 0.600 176.101 175.510 -0.016 0.000 1.113 255 N CA -0.255 52.791 53.050 -0.006 0.000 0.858 255 N CB 0.474 38.968 38.487 0.011 0.000 0.970 255 N HN -0.422 7.914 8.380 0.004 0.047 0.471 256 A N 0.682 123.483 122.820 -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 68.486 68.868 -0.044 0.000 0.865 257 T HN -0.217 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 1.396 177.666 176.300 -0.050 0.000 0.998 258 D CA 1.382 55.357 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 -4.298 110.228 114.554 -0.046 0.000 3.039 259 T HA 0.065 nan 4.350 nan 0.000 0.250 259 T C 1.698 176.370 174.700 -0.045 0.000 1.052 259 T CA 1.420 63.496 62.100 -0.040 0.000 1.125 259 T CB 0.867 69.735 68.868 0.000 0.000 0.908 259 T HN -0.989 7.076 8.240 -0.043 0.149 0.473 260 I N 2.154 122.691 120.570 -0.055 0.000 2.151 260 I HA -0.371 nan 4.170 nan 0.000 0.243 260 I C -0.695 175.402 176.117 -0.034 0.000 1.080 260 I CA 5.916 67.188 61.300 -0.046 0.000 1.339 260 I CB -2.509 35.366 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 1.694 178.874 177.300 -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 -0.092 0.000 0.787 262 L N -2.654 118.393 121.223 -0.293 0.000 2.046 262 L HA -0.315 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 -0.602 0.000 0.896 262 L HN -0.856 7.247 8.230 -0.211 0.000 0.432 263 V N -0.526 119.174 119.914 -0.357 0.000 2.287 263 V HA -0.551 nan 4.120 nan 0.000 0.248 263 V C 2.442 178.453 176.094 -0.139 0.000 1.053 263 V CA 4.500 66.717 62.300 -0.139 0.000 1.027 263 V CB -1.046 30.884 31.823 0.179 0.000 0.646 263 V HN 0.271 8.341 8.190 -0.200 0.000 0.447 264 R N -2.098 118.363 120.500 -0.065 0.000 2.073 264 R HA -0.395 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 -0.213 115.385 115.700 -0.170 0.000 2.359 265 S HA -0.269 nan 4.470 nan 0.000 0.224 265 S C 2.276 176.877 174.600 0.003 0.000 1.035 265 S CA 3.657 61.785 58.200 -0.120 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 -0.497 119.304 119.950 -0.247 0.000 2.259 266 F HA -0.142 nan 4.527 nan 0.000 0.298 266 F C 1.570 177.183 175.800 -0.311 0.000 1.088 266 F CA 0.506 58.267 58.000 -0.400 0.000 1.358 266 F CB -0.864 37.489 39.000 -1.079 0.000 1.040 266 F HN 0.262 8.270 8.300 -0.487 0.000 0.505 267 A N -1.259 121.539 122.820 -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 2.022 54.065 52.037 0.009 0.000 0.646 267 A CB -0.203 18.792 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 -3.053 115.643 118.700 -0.007 0.000 2.446 268 N HA -0.041 nan 4.740 nan 0.000 0.179 268 N C -0.483 175.023 175.510 -0.007 0.000 1.054 268 N CA 1.205 54.249 53.050 -0.009 0.000 0.905 268 N CB 1.069 39.551 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 -0.823 114.882 115.700 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 -1.368 56.826 58.200 -0.011 0.000 1.051 269 S CB 1.085 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 9.792 124.269 114.554 -0.128 0.000 2.759 270 T HA -0.318 nan 4.350 nan 0.000 0.269 270 T C 1.397 175.822 174.700 -0.458 0.000 1.042 270 T CA 4.479 66.388 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 0.542 120.186 119.800 -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 -0.158 0.000 0.844 271 Q CB -0.807 27.887 28.738 -0.074 0.000 0.898 271 Q HN 0.200 8.347 8.270 -0.184 0.012 0.426 272 T N 3.451 117.996 114.554 -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 -0.669 7.561 8.240 -0.017 0.000 0.444 273 F N 3.302 123.106 119.950 -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 1.411 59.094 58.000 -0.527 0.000 1.218 273 F CB -0.136 38.663 39.000 -0.335 0.000 0.984 273 F HN -0.418 7.936 8.300 0.090 0.000 0.472 274 F N -1.382 118.236 119.950 -0.554 0.000 2.126 274 F HA -0.493 nan 4.527 nan 0.000 0.299 274 F C 2.390 177.955 175.800 -0.392 0.000 1.096 274 F CA 1.965 59.639 58.000 -0.544 0.000 1.255 274 F CB -1.401 37.427 39.000 -0.288 0.000 0.997 274 F HN 0.309 8.545 8.300 -0.107 0.000 0.479 275 N N -0.779 117.879 118.700 -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 3.133 56.114 53.050 -0.115 0.000 0.852 275 N CB -0.585 37.870 38.487 -0.053 0.000 1.003 275 N HN 0.061 8.427 8.380 -0.025 0.000 0.424 276 A N 0.571 123.291 122.820 -0.167 0.000 1.877 276 A HA -0.234 nan 4.320 nan 0.000 0.216 276 A C 1.961 179.439 177.584 -0.176 0.000 1.186 276 A CA 2.966 54.916 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 7.716 8.150 -0.181 0.071 0.443 277 F N -0.234 119.468 119.950 -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 3.926 61.697 58.000 -0.382 0.000 1.232 277 F CB 0.236 38.884 39.000 -0.588 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 1.846 177.563 176.094 -0.627 0.000 1.055 278 V CA 4.654 66.381 62.300 -0.956 0.000 1.038 278 V CB -1.001 30.210 31.823 -1.020 0.000 0.651 278 V HN 0.253 8.200 8.190 -0.405 0.000 0.450 279 E N -0.971 119.005 120.200 -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 3.152 59.422 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 -0.320 7.842 8.360 -0.330 0.000 0.458 280 A N 0.135 122.835 122.820 -0.200 0.000 1.877 280 A HA -0.270 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 55.252 52.037 -0.133 0.000 0.620 280 A CB -0.746 18.184 19.000 -0.117 0.000 0.822 280 A HN 0.169 8.172 8.150 -0.245 0.000 0.443 281 M N -1.657 117.728 119.600 -0.358 0.000 2.108 281 M HA -0.404 nan 4.480 nan 0.000 0.261 281 M C 2.330 178.634 176.300 0.007 0.000 1.066 281 M CA 2.848 58.016 55.300 -0.221 0.000 1.107 281 M CB -1.087 31.339 32.600 -0.290 0.000 1.356 281 M HN 0.410 8.367 8.290 -0.556 0.000 0.406 282 D N -1.291 119.100 120.400 -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 -1.632 118.870 120.500 0.003 0.000 2.066 283 R HA -0.175 nan 4.340 nan 0.000 0.232 283 R C 2.600 178.911 176.300 0.018 0.000 1.131 283 R CA 1.995 58.100 56.100 0.009 0.000 0.955 283 R CB -0.172 30.135 30.300 0.011 0.000 0.851 283 R HN -0.420 7.729 8.270 -0.030 0.104 0.432 284 M N 1.197 120.817 119.600 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 3.425 58.753 55.300 0.046 0.000 1.107 284 M CB -0.049 32.607 32.600 0.094 0.000 1.356 284 M HN 0.348 8.653 8.290 0.025 0.000 0.406 285 G N -3.920 104.936 108.800 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 0.336 175.273 174.900 0.062 0.000 1.126 285 G CA 1.312 46.492 45.100 0.133 0.000 0.778 285 G HN 0.312 8.668 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 -0.610 174.884 175.510 -0.026 0.000 1.119 286 N CA -0.577 52.473 53.050 0.000 0.000 0.851 286 N CB 1.010 39.497 38.487 -0.000 0.000 0.990 286 N HN -0.475 7.728 8.380 0.026 0.193 0.497 287 I N 1.414 121.960 120.570 -0.041 0.000 2.587 287 I HA -0.156 nan 4.170 nan 0.000 0.284 287 I C -0.085 175.988 176.117 -0.072 0.000 1.134 287 I CA 1.021 62.274 61.300 -0.077 0.000 1.410 287 I CB 0.234 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 -1.097 60.959 62.100 -0.074 0.000 2.987 288 T CB -1.782 67.027 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 -1.789 175.488 177.300 -0.038 0.000 1.244 289 P CA -1.208 61.869 63.100 -0.039 0.000 0.801 289 P CB 1.257 32.931 31.700 -0.042 0.000 1.006 290 L N 0.276 121.481 121.223 -0.029 0.000 2.257 290 L HA 0.312 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 54.064 54.840 -0.021 0.000 0.810 290 L CB 0.214 42.271 42.059 -0.003 0.000 1.193 290 L HN 0.389 8.604 8.230 -0.024 0.000 0.425 291 T N -2.987 111.548 114.554 -0.032 0.000 2.864 291 T HA 0.492 nan 4.350 nan 0.000 0.289 291 T C 0.348 175.043 174.700 -0.008 0.000 1.082 291 T CA -2.444 59.631 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 1.976 110.783 108.800 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 2.136 47.258 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 1.103 115.675 114.554 0.030 0.000 3.085 293 T HA 0.200 nan 4.350 nan 0.000 0.264 293 T C 0.998 175.713 174.700 0.025 0.000 1.019 293 T CA -0.681 61.438 62.100 0.032 0.000 0.910 293 T CB -0.043 68.842 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 0.815 176.828 176.000 0.020 0.000 0.992 294 Q CA 0.448 56.261 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 0.018 108.832 108.800 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 -1.206 174.821 176.000 0.044 0.000 0.963 296 Q CA -1.822 54.004 55.803 0.038 0.000 0.770 296 Q CB 3.694 32.452 28.738 0.034 0.000 1.492 296 Q HN 0.436 8.617 8.270 0.030 0.108 0.493 297 I N 0.275 120.875 120.570 0.050 0.000 2.371 297 I HA 0.142 nan 4.170 nan 0.000 0.282 297 I C -0.080 176.061 176.117 0.041 0.000 1.031 297 I CA -1.058 60.275 61.300 0.055 0.000 1.180 297 I CB 0.015 38.061 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 6.870 127.391 120.500 0.035 0.000 2.679 298 R HA -0.067 nan 4.340 nan 0.000 0.268 298 R C 0.225 176.539 176.300 0.023 0.000 1.044 298 R CA 0.329 56.446 56.100 0.028 0.000 1.105 298 R CB 0.750 31.066 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 0.324 121.559 121.223 0.019 0.000 2.162 299 L HA -0.072 nan 4.340 nan 0.000 0.205 299 L C -0.123 176.754 176.870 0.011 0.000 1.086 299 L CA 1.725 56.573 54.840 0.013 0.000 0.778 299 L CB 0.479 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 -3.011 115.698 118.700 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 -0.830 52.229 53.050 0.016 0.000 0.864 300 N CB 2.236 40.730 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 4.581 123.197 118.600 0.028 0.000 2.409 301 c HA -0.215 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 2.086 58.437 56.329 0.037 0.000 1.787 301 c CB -0.736 41.805 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 -2.768 117.747 120.500 0.025 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 1.782 57.889 56.100 0.011 0.000 1.007 302 R CB 0.526 30.822 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 -1.557 174.566 176.094 0.049 0.000 1.120 303 V CA -2.086 60.238 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 1.308 121.266 119.914 0.072 0.000 2.715 304 V HA -0.016 nan 4.120 nan 0.000 0.299 304 V C 0.089 176.207 176.094 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 0.101 0.000 0.972 304 V HN 0.155 8.401 8.190 0.092 0.000 0.484 305 N N 6.131 124.850 118.700 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 0.616 9.437 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