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_C 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 54.777 54.840 -0.068 0.000 0.810 2 L CB 0.616 42.632 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 2.897 117.448 114.554 -0.006 0.000 2.893 3 T HA 0.476 nan 4.350 nan 0.000 0.293 3 T C -1.318 173.403 174.700 0.035 0.000 1.027 3 T CA -2.617 59.505 62.100 0.036 0.000 0.988 3 T CB 1.788 70.700 68.868 0.074 0.000 1.043 3 T HN 0.022 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 -0.344 176.982 177.300 0.043 0.000 1.153 4 P CA 1.410 64.529 63.100 0.032 0.000 0.777 4 P CB 0.406 32.127 31.700 0.036 0.000 0.794 5 T N -6.349 108.233 114.554 0.046 0.000 3.145 5 T HA 0.178 nan 4.350 nan 0.000 0.255 5 T C 1.439 176.148 174.700 0.014 0.000 1.039 5 T CA -1.077 61.043 62.100 0.033 0.000 0.928 5 T CB -0.671 68.204 68.868 0.011 0.000 1.029 5 T HN -0.520 7.702 8.240 0.047 0.047 0.554 6 F N 4.027 123.867 119.950 -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 3.947 61.742 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 -7.377 112.984 120.300 0.102 0.000 2.458 7 Y HA 0.059 nan 4.550 nan 0.000 0.256 7 Y C 0.824 176.709 175.900 -0.025 0.000 1.159 7 Y CA -1.152 56.959 58.100 0.018 0.000 1.261 7 Y CB -0.444 38.066 38.460 0.083 0.000 1.119 7 Y HN -0.351 7.941 8.280 0.054 0.020 0.524 8 D N 1.662 122.107 120.400 0.076 0.000 2.221 8 D HA -0.270 nan 4.640 nan 0.000 0.204 8 D C 0.852 177.161 176.300 0.014 0.000 0.982 8 D CA 3.442 57.466 54.000 0.041 0.000 0.857 8 D CB -0.557 40.252 40.800 0.016 0.000 0.934 8 D HN -0.102 8.112 8.370 0.032 0.176 0.475 9 N N -2.795 115.896 118.700 -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 0.936 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 -1.555 114.148 115.700 0.005 0.000 2.406 10 S HA -0.003 nan 4.470 nan 0.000 0.224 10 S C 0.110 174.742 174.600 0.054 0.000 1.030 10 S CA 1.295 59.514 58.200 0.031 0.000 0.958 10 S CB 1.004 64.232 63.200 0.047 0.000 0.811 10 S HN -0.117 8.190 8.310 -0.005 0.000 0.489 11 c N 3.192 121.842 118.600 0.084 0.000 3.432 11 c HA 0.489 nan 4.570 nan 0.000 0.242 11 c C -1.658 172.452 174.090 0.034 0.000 1.152 11 c CA -2.312 54.033 56.329 0.026 0.000 1.242 11 c CB -0.033 42.449 42.510 -0.047 0.000 1.802 11 c HN 0.288 8.477 8.230 0.137 0.123 0.577 12 P HA -0.143 nan 4.420 nan 0.000 0.223 12 P C 0.114 177.418 177.300 0.006 0.000 1.144 12 P CA 2.088 65.203 63.100 0.025 0.000 0.783 12 P CB 0.149 31.856 31.700 0.013 0.000 0.771 13 N N -3.114 115.579 118.700 -0.012 0.000 2.236 13 N HA 0.173 nan 4.740 nan 0.000 0.196 13 N C 1.601 177.086 175.510 -0.043 0.000 1.114 13 N CA 0.252 53.288 53.050 -0.025 0.000 0.859 13 N CB 0.454 38.925 38.487 -0.026 0.000 0.982 13 N HN -0.134 8.182 8.380 -0.015 0.055 0.493 14 V N -1.237 118.641 119.914 -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 4.582 66.824 62.300 -0.097 0.000 1.030 14 V CB -1.197 30.531 31.823 -0.159 0.000 0.643 14 V HN -0.339 7.770 8.190 -0.048 0.052 0.445 15 S N -0.088 115.576 115.700 -0.060 0.000 2.399 15 S HA -0.450 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 4.080 62.237 58.200 -0.071 0.000 0.983 15 S CB -0.826 62.331 63.200 -0.070 0.000 0.803 15 S HN 0.294 8.580 8.310 -0.041 0.000 0.480 16 N N 2.876 121.546 118.700 -0.050 0.000 2.084 16 N HA -0.262 nan 4.740 nan 0.000 0.190 16 N C 2.057 177.541 175.510 -0.044 0.000 1.030 16 N CA 3.378 56.402 53.050 -0.042 0.000 0.849 16 N CB -0.072 38.395 38.487 -0.032 0.000 1.012 16 N HN -0.664 7.676 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 1.612 177.699 176.117 -0.051 0.000 1.085 17 I CA 4.589 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 -0.058 8.122 8.210 -0.050 0.000 0.408 18 V N 0.138 120.014 119.914 -0.063 0.000 2.295 18 V HA -0.503 nan 4.120 nan 0.000 0.246 18 V C 1.855 177.912 176.094 -0.061 0.000 1.049 18 V CA 4.624 66.883 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 -0.686 119.776 120.500 -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 0.413 8.533 8.270 -0.067 0.110 0.434 20 D N -1.593 118.786 120.400 -0.035 0.000 2.144 20 D HA -0.218 nan 4.640 nan 0.000 0.199 20 D C 2.508 178.793 176.300 -0.024 0.000 0.984 20 D CA 3.295 57.279 54.000 -0.026 0.000 0.834 20 D CB -0.503 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 2.842 117.379 114.554 -0.029 0.000 2.708 21 T HA -0.248 nan 4.350 nan 0.000 0.266 21 T C 2.093 176.778 174.700 -0.024 0.000 1.037 21 T CA 4.809 66.894 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 -0.291 7.920 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 -0.466 nan 4.170 nan 0.000 0.242 22 I C 1.326 177.434 176.117 -0.016 0.000 1.091 22 I CA 4.572 65.856 61.300 -0.026 0.000 1.368 22 I CB -0.322 37.658 38.000 -0.033 0.000 1.058 22 I HN -0.291 7.823 8.210 -0.035 0.074 0.410 23 V N -0.226 119.679 119.914 -0.015 0.000 2.324 23 V HA -0.615 nan 4.120 nan 0.000 0.250 23 V C 1.973 178.064 176.094 -0.005 0.000 1.060 23 V CA 4.826 67.122 62.300 -0.007 0.000 1.042 23 V CB -1.073 30.745 31.823 -0.008 0.000 0.650 23 V HN 0.278 8.456 8.190 -0.020 0.000 0.450 24 N N -1.941 116.754 118.700 -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 3.474 56.520 53.050 -0.006 0.000 0.852 24 N CB 0.114 38.595 38.487 -0.009 0.000 1.018 24 N HN -0.329 8.044 8.380 -0.012 -0.001 0.423 25 E N -0.142 120.052 120.200 -0.009 0.000 2.106 25 E HA -0.257 nan 4.350 nan 0.000 0.192 25 E C 2.484 179.080 176.600 -0.006 0.000 0.984 25 E CA 2.097 58.492 56.400 -0.009 0.000 0.806 25 E CB -0.185 29.506 29.700 -0.016 0.000 0.750 25 E HN -0.453 7.820 8.360 -0.012 0.080 0.458 26 L N -1.504 119.717 121.223 -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 2.976 57.818 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 -2.589 117.914 120.500 0.005 0.000 2.120 27 R HA -0.252 nan 4.340 nan 0.000 0.234 27 R C 1.060 177.364 176.300 0.006 0.000 1.123 27 R CA 2.625 58.729 56.100 0.007 0.000 0.975 27 R CB 0.223 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 -2.987 112.715 115.700 0.003 0.000 2.497 28 S HA 0.047 nan 4.470 nan 0.000 0.221 28 S C -0.273 174.328 174.600 0.002 0.000 1.037 28 S CA 1.445 59.647 58.200 0.003 0.000 0.920 28 S CB 1.297 64.499 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 0.868 121.266 120.400 -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 -0.039 8.225 8.370 -0.003 0.104 0.529 30 P HA -0.128 nan 4.420 nan 0.000 0.228 30 P C 0.243 177.533 177.300 -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 31.960 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 1.388 177.618 176.300 -0.117 0.000 0.961 31 R CA 1.063 57.116 56.100 -0.078 0.000 1.024 31 R CB 0.276 30.545 30.300 -0.052 0.000 0.940 31 R HN -0.658 7.738 8.270 -0.025 -0.141 0.480 32 I N 0.455 120.976 120.570 -0.081 0.000 2.236 32 I HA -0.485 nan 4.170 nan 0.000 0.249 32 I C 0.274 176.326 176.117 -0.108 0.000 1.102 32 I CA 1.942 63.190 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 7.808 8.210 -0.053 0.156 0.420 33 A N -2.055 120.704 122.820 -0.101 0.000 1.902 33 A HA -0.324 nan 4.320 nan 0.000 0.217 33 A C 1.678 179.139 177.584 -0.205 0.000 1.181 33 A CA 3.199 55.195 52.037 -0.068 0.000 0.623 33 A CB -1.240 17.802 19.000 0.069 0.000 0.818 33 A HN 0.188 8.289 8.150 -0.082 0.000 0.443 34 A N -1.287 121.190 122.820 -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 -0.394 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 1.358 121.861 120.570 -0.111 0.000 2.226 36 I HA -0.448 nan 4.170 nan 0.000 0.245 36 I C 1.504 177.629 176.117 0.013 0.000 1.100 36 I CA 3.769 65.028 61.300 -0.068 0.000 1.374 36 I CB -0.120 37.845 38.000 -0.059 0.000 1.057 36 I HN -0.112 8.026 8.210 -0.120 0.000 0.413 37 L N -0.345 120.914 121.223 0.061 0.000 2.042 37 L HA -0.413 nan 4.340 nan 0.000 0.210 37 L C 1.402 178.382 176.870 0.183 0.000 1.076 37 L CA 3.412 58.359 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 -0.393 7.852 8.230 0.025 0.000 0.432 38 R N -1.129 119.420 120.500 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 -0.233 30.020 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 -1.562 119.626 121.223 -0.058 0.000 2.046 39 L HA -0.461 nan 4.340 nan 0.000 0.208 39 L C 1.819 178.748 176.870 0.100 0.000 1.077 39 L CA 3.237 58.055 54.840 -0.038 0.000 0.747 39 L CB -0.579 41.429 42.059 -0.085 0.000 0.896 39 L HN -0.210 7.897 8.230 -0.066 0.084 0.432 40 H N 0.303 119.408 119.070 0.058 0.000 2.321 40 H HA -0.394 nan 4.556 nan 0.000 0.300 40 H C 1.993 177.425 175.328 0.174 0.000 1.087 40 H CA 3.800 59.909 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 7.919 8.280 0.224 0.000 0.501 41 F N 0.662 120.589 119.950 -0.038 0.000 2.069 41 F HA -0.459 nan 4.527 nan 0.000 0.298 41 F C 1.500 177.308 175.800 0.013 0.000 1.113 41 F CA 2.862 60.810 58.000 -0.086 0.000 1.214 41 F CB -0.590 38.366 39.000 -0.073 0.000 0.978 41 F HN -0.267 8.237 8.300 0.339 0.000 0.474 42 H N -2.448 116.349 119.070 -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 2.066 57.818 56.048 -0.494 0.000 1.309 42 H CB 0.061 29.643 29.762 -0.298 0.000 1.392 42 H HN -0.003 8.267 8.280 -0.017 0.000 0.554 43 D N -0.746 119.667 120.400 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 -0.215 7.938 8.370 0.032 0.236 0.460 44 c N 0.006 118.575 118.600 -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 -1.284 41.171 42.510 -0.092 0.000 1.962 44 c HN 0.125 8.284 8.230 -0.119 0.000 0.499 45 F N -2.071 117.757 119.950 -0.204 0.000 2.661 45 F HA -0.100 nan 4.527 nan 0.000 0.298 45 F C -0.264 175.422 175.800 -0.190 0.000 1.137 45 F CA 1.905 59.772 58.000 -0.221 0.000 1.454 45 F CB 0.394 39.194 39.000 -0.333 0.000 1.103 45 F HN -0.659 7.717 8.300 0.160 0.020 0.577 46 V N 0.982 120.887 119.914 -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 -0.079 0.000 1.023 46 V CA -1.664 60.609 62.300 -0.045 0.000 0.808 46 V CB -1.263 30.563 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 2.683 121.267 118.700 -0.193 0.000 2.741 47 N HA -0.323 nan 4.740 nan 0.000 0.250 47 N C -0.063 175.358 175.510 -0.149 0.000 1.115 47 N CA 0.852 53.741 53.050 -0.268 0.000 0.724 47 N CB -0.354 37.803 38.487 -0.549 0.000 1.090 47 N HN 0.623 8.884 8.380 -0.199 0.000 0.558 48 G N -4.750 103.982 108.800 -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 -0.635 174.249 174.900 -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 2.804 121.398 118.600 -0.011 0.000 2.305 49 c HA 0.010 nan 4.570 nan 0.000 0.378 49 c C -0.324 173.793 174.090 0.046 0.000 1.047 49 c CA -0.985 55.363 56.329 0.031 0.000 1.385 49 c CB -2.747 39.808 42.510 0.076 0.000 1.825 49 c HN 0.164 8.383 8.230 -0.018 0.000 0.508 50 D N 1.289 121.720 120.400 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 -1.489 52.543 54.000 0.055 0.000 0.807 50 D CB -0.111 40.728 40.800 0.066 0.000 1.084 50 D HN -0.354 8.223 8.370 0.056 -0.173 0.510 51 A N -1.878 120.986 122.820 0.074 0.000 2.847 51 A HA -0.448 nan 4.320 nan 0.000 0.263 51 A C 1.200 178.813 177.584 0.049 0.000 1.391 51 A CA 1.512 53.593 52.037 0.073 0.000 0.866 51 A CB -2.227 16.810 19.000 0.062 0.000 1.057 51 A HN 0.037 8.542 8.150 0.084 -0.305 0.673 52 S N -0.955 114.775 115.700 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 2.795 60.985 58.200 -0.017 0.000 0.983 52 S CB 0.072 63.320 63.200 0.080 0.000 0.803 52 S HN -0.086 8.609 8.310 0.077 -0.339 0.480 53 I N 0.241 120.843 120.570 0.052 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 -0.756 7.483 8.210 0.077 0.018 0.452 54 L N -3.761 117.516 121.223 0.089 0.000 2.509 54 L HA -0.085 nan 4.340 nan 0.000 0.222 54 L C -0.066 176.795 176.870 -0.014 0.000 1.123 54 L CA 0.045 54.934 54.840 0.083 0.000 0.856 54 L CB 0.304 42.437 42.059 0.124 0.000 0.985 54 L HN -0.832 7.273 8.230 0.072 0.168 0.456 55 L N -0.962 120.250 121.223 -0.020 0.000 2.416 55 L HA -0.203 nan 4.340 nan 0.000 0.272 55 L C -0.620 176.252 176.870 0.004 0.000 1.161 55 L CA 0.247 55.095 54.840 0.014 0.000 0.845 55 L CB 0.162 42.244 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 3.432 123.835 120.400 0.006 0.000 2.388 56 D HA 0.053 nan 4.640 nan 0.000 0.254 56 D C -1.054 175.244 176.300 -0.003 0.000 1.111 56 D CA -0.625 53.351 54.000 -0.039 0.000 0.993 56 D CB 1.320 42.079 40.800 -0.068 0.000 1.118 56 D HN -0.182 8.201 8.370 0.022 0.000 0.502 57 N N -1.581 117.088 118.700 -0.052 0.000 2.345 57 N HA -0.150 nan 4.740 nan 0.000 0.243 57 N C -0.140 175.233 175.510 -0.228 0.000 1.246 57 N CA 1.303 54.291 53.050 -0.104 0.000 0.863 57 N CB 0.552 38.983 38.487 -0.093 0.000 1.096 57 N HN -0.001 8.342 8.380 -0.062 0.000 0.446 58 T N -1.826 112.473 114.554 -0.426 0.000 2.804 58 T HA 0.407 nan 4.350 nan 0.000 0.290 58 T C 0.850 175.321 174.700 -0.382 0.000 1.099 58 T CA -0.513 61.294 62.100 -0.488 0.000 1.011 58 T CB 1.959 70.321 68.868 -0.843 0.000 1.291 58 T HN 0.222 8.196 8.240 -0.444 0.000 0.523 59 T N -5.721 108.659 114.554 -0.289 0.000 3.085 59 T HA 0.136 nan 4.350 nan 0.000 0.263 59 T C 0.570 175.155 174.700 -0.191 0.000 1.127 59 T CA 1.311 63.297 62.100 -0.190 0.000 1.103 59 T CB -0.294 68.497 68.868 -0.128 0.000 0.921 59 T HN 0.338 8.414 8.240 -0.274 0.000 0.510 60 S N 2.156 117.679 115.700 -0.296 0.000 2.486 60 S HA -0.001 nan 4.470 nan 0.000 0.220 60 S C -0.754 173.791 174.600 -0.092 0.000 1.011 60 S CA 0.802 58.897 58.200 -0.174 0.000 0.921 60 S CB 1.174 64.313 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 -1.323 118.584 119.950 -0.072 0.000 2.665 61 F HA 0.204 nan 4.527 nan 0.000 0.308 61 F C -2.230 173.514 175.800 -0.094 0.000 1.112 61 F CA -1.282 56.662 58.000 -0.092 0.000 0.972 61 F CB 1.531 40.445 39.000 -0.143 0.000 1.295 61 F HN -0.621 7.132 8.300 -0.741 0.102 0.440 62 R N 0.565 121.172 120.500 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 0.134 0.000 1.070 62 R CA -0.964 55.188 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 2.378 116.971 114.554 0.066 0.000 2.919 63 T HA 0.094 nan 4.350 nan 0.000 0.302 63 T C 1.459 176.144 174.700 -0.024 0.000 1.031 63 T CA -0.585 61.531 62.100 0.027 0.000 1.127 63 T CB 1.020 69.873 68.868 -0.026 0.000 0.952 63 T HN -0.078 8.467 8.240 0.026 -0.290 0.540 64 E N 6.603 126.778 120.200 -0.041 0.000 2.418 64 E HA -0.212 nan 4.350 nan 0.000 0.197 64 E C 2.086 178.675 176.600 -0.018 0.000 1.026 64 E CA 2.696 59.075 56.400 -0.035 0.000 0.862 64 E CB -0.270 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 -1.206 119.174 120.400 -0.034 0.000 2.360 65 K HA -0.279 nan 4.320 nan 0.000 0.201 65 K C 0.660 177.266 176.600 0.011 0.000 1.046 65 K CA 2.309 58.587 56.287 -0.014 0.000 0.945 65 K CB -0.261 32.155 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 -3.484 116.903 120.400 -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 -0.211 53.774 54.000 -0.024 0.000 0.856 66 D CB 0.361 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 0.572 52.469 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 -0.321 7.603 8.150 -0.062 0.189 0.498 68 F N 0.844 120.834 119.950 0.067 0.000 2.161 68 F HA -0.342 nan 4.527 nan 0.000 0.300 68 F C 1.468 177.327 175.800 0.098 0.000 1.089 68 F CA 2.347 60.405 58.000 0.097 0.000 1.282 68 F CB -0.466 38.603 39.000 0.115 0.000 1.010 68 F HN 0.582 8.847 8.300 -0.656 -0.359 0.485 69 G N -4.652 104.256 108.800 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 -0.737 174.278 174.900 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 8.655 8.290 0.102 0.000 0.541 70 N N 0.426 119.231 118.700 0.176 0.000 2.516 70 N HA 0.074 nan 4.740 nan 0.000 0.197 70 N C -0.580 175.055 175.510 0.209 0.000 1.064 70 N CA -0.091 53.093 53.050 0.223 0.000 0.866 70 N CB 1.876 40.474 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 1.801 124.730 122.820 0.181 0.000 2.566 71 A HA -0.165 nan 4.320 nan 0.000 0.245 71 A C -0.423 177.276 177.584 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 18.703 19.000 0.175 0.000 0.979 71 A HN 0.109 8.359 8.150 0.167 0.000 0.508 72 N N 1.329 120.126 118.700 0.162 0.000 2.714 72 N HA -0.324 nan 4.740 nan 0.000 0.252 72 N C -1.260 174.361 175.510 0.186 0.000 1.014 72 N CA 1.602 54.743 53.050 0.152 0.000 0.735 72 N CB -1.724 36.840 38.487 0.128 0.000 0.924 72 N HN 0.742 9.208 8.380 0.144 0.000 0.540 73 S N -3.028 112.789 115.700 0.195 0.000 4.257 73 S HA 0.041 nan 4.470 nan 0.000 0.208 73 S C -1.125 173.561 174.600 0.142 0.000 1.152 73 S CA 0.679 58.999 58.200 0.201 0.000 1.110 73 S CB 2.041 65.396 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 2.556 125.472 122.820 0.161 0.000 2.498 74 A HA -0.064 nan 4.320 nan 0.000 0.239 74 A C -1.513 176.106 177.584 0.060 0.000 1.068 74 A CA 0.866 52.959 52.037 0.093 0.000 0.766 74 A CB 0.349 19.488 19.000 0.233 0.000 1.003 74 A HN -0.189 7.975 8.150 0.208 0.110 0.497 75 R N 2.114 122.496 120.500 -0.198 0.000 2.733 75 R HA 0.127 nan 4.340 nan 0.000 0.272 75 R C -0.877 175.149 176.300 -0.456 0.000 1.029 75 R CA -1.188 54.781 56.100 -0.219 0.000 0.888 75 R CB 1.484 31.751 30.300 -0.056 0.000 1.251 75 R HN -0.014 8.090 8.270 -0.278 0.000 0.464 76 G N -2.884 105.722 108.800 -0.323 0.000 2.192 76 G HA2 -0.218 nan 3.960 nan 0.000 0.193 76 G HA3 -0.218 nan 3.960 nan 0.000 0.193 76 G C 0.056 174.816 174.900 -0.233 0.000 0.999 76 G CA 0.017 44.955 45.100 -0.271 0.000 0.659 76 G HN 0.209 8.410 8.290 -0.148 0.000 0.503 77 F N 0.719 120.675 119.950 0.010 0.000 2.091 77 F HA -0.205 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 4.121 62.127 58.000 0.011 0.000 1.228 77 F CB -2.397 36.612 39.000 0.015 0.000 0.984 77 F HN -0.054 7.926 8.300 -0.448 0.052 0.477 78 P HA -0.192 nan 4.420 nan 0.000 0.218 78 P C 1.041 178.373 177.300 0.054 0.000 1.149 78 P CA 3.024 66.183 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 -1.604 118.327 119.914 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 -0.502 7.682 8.190 0.022 0.019 0.456 80 I N -0.542 120.038 120.570 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 2.160 63.475 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 -0.033 120.398 120.400 0.052 0.000 2.123 81 D HA -0.317 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 3.818 57.841 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 8.063 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 -0.298 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 3.274 59.376 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 -0.160 8.051 8.270 0.021 0.071 0.433 83 M N -2.711 116.883 119.600 -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 -0.284 32.296 32.600 -0.034 0.000 1.387 83 M HN -0.018 8.267 8.290 -0.007 0.000 0.420 84 K N 0.696 121.087 120.400 -0.016 0.000 2.057 84 K HA -0.296 nan 4.320 nan 0.000 0.206 84 K C 1.807 178.396 176.600 -0.018 0.000 1.050 84 K CA 2.421 58.697 56.287 -0.018 0.000 0.935 84 K CB -0.579 31.920 32.500 -0.002 0.000 0.715 84 K HN 0.139 8.296 8.250 -0.006 0.089 0.439 85 A N -1.692 121.122 122.820 -0.010 0.000 1.902 85 A HA -0.240 nan 4.320 nan 0.000 0.217 85 A C 1.976 179.550 177.584 -0.017 0.000 1.181 85 A CA 3.018 55.048 52.037 -0.010 0.000 0.623 85 A CB -1.052 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 -2.505 120.303 122.820 -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 3.118 55.140 52.037 -0.025 0.000 0.623 86 A CB -0.420 18.564 19.000 -0.027 0.000 0.818 86 A HN -0.388 7.751 8.150 -0.019 0.000 0.443 87 V N -3.545 116.342 119.914 -0.045 0.000 2.719 87 V HA -0.218 nan 4.120 nan 0.000 0.252 87 V C 1.599 177.661 176.094 -0.052 0.000 1.065 87 V CA 3.100 65.364 62.300 -0.061 0.000 1.086 87 V CB -0.814 30.951 31.823 -0.096 0.000 0.700 87 V HN 0.123 8.215 8.190 -0.043 0.073 0.467 88 E N 1.258 121.436 120.200 -0.037 0.000 2.106 88 E HA -0.267 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 2.506 58.890 56.400 -0.026 0.000 0.806 88 E CB -0.673 29.018 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 1.357 175.946 174.600 -0.019 0.000 1.027 89 S CA 2.145 60.334 58.200 -0.017 0.000 0.991 89 S CB 0.324 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 -0.142 122.662 122.820 -0.027 0.000 1.935 90 A HA -0.040 nan 4.320 nan 0.000 0.214 90 A C -0.385 177.183 177.584 -0.027 0.000 1.178 90 A CA 1.530 53.551 52.037 -0.028 0.000 0.640 90 A CB 1.215 20.195 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 -1.239 117.340 118.600 -0.035 0.000 3.328 91 c HA 0.442 nan 4.570 nan 0.000 0.230 91 c C -2.858 171.218 174.090 -0.023 0.000 1.232 91 c CA -2.682 53.629 56.329 -0.030 0.000 1.431 91 c CB -1.036 41.443 42.510 -0.051 0.000 1.818 91 c HN 0.132 8.231 8.230 -0.041 0.106 0.484 92 P HA -0.162 nan 4.420 nan 0.000 0.263 92 P C -0.733 176.570 177.300 0.005 0.000 1.175 92 P CA 1.077 64.174 63.100 -0.005 0.000 0.761 92 P CB 0.163 31.862 31.700 -0.001 0.000 0.794 93 R N 0.210 120.715 120.500 0.008 0.000 3.610 93 R HA -0.433 nan 4.340 nan 0.000 0.274 93 R C -0.140 176.186 176.300 0.043 0.000 1.123 93 R CA 1.646 57.760 56.100 0.023 0.000 0.747 93 R CB -2.788 27.527 30.300 0.026 0.000 1.149 93 R HN 0.703 9.336 8.270 0.003 -0.361 0.471 94 T N -6.463 108.111 114.554 0.034 0.000 2.987 94 T HA 0.158 nan 4.350 nan 0.000 0.248 94 T C -0.176 174.593 174.700 0.114 0.000 0.997 94 T CA 0.612 62.764 62.100 0.087 0.000 1.013 94 T CB 2.110 71.032 68.868 0.090 0.000 1.077 94 T HN -0.527 7.695 8.240 0.002 0.019 0.483 95 V N 4.807 124.688 119.914 -0.055 0.000 2.383 95 V HA 0.330 nan 4.120 nan 0.000 0.275 95 V C -1.236 174.852 176.094 -0.011 0.000 1.036 95 V CA -1.748 60.455 62.300 -0.162 0.000 0.889 95 V CB -0.389 31.168 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 4.909 120.661 115.700 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 57.900 58.200 0.064 0.000 1.015 96 S CB 1.468 64.717 63.200 0.081 0.000 0.912 96 S HN -0.304 8.127 8.310 0.201 0.000 0.541 97 c N 1.806 120.425 118.600 0.032 0.000 2.435 97 c HA -0.197 nan 4.570 nan 0.000 0.279 97 c C 1.878 175.995 174.090 0.045 0.000 1.321 97 c CA 3.755 60.104 56.329 0.032 0.000 1.752 97 c CB -2.032 40.502 42.510 0.041 0.000 1.959 97 c HN 0.578 9.171 8.230 0.035 -0.342 0.500 98 A N 0.285 123.137 122.820 0.053 0.000 1.883 98 A HA -0.365 nan 4.320 nan 0.000 0.217 98 A C 1.733 179.354 177.584 0.062 0.000 1.186 98 A CA 3.637 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 8.897 8.150 0.048 -0.268 0.444 99 D N -0.667 119.764 120.400 0.052 0.000 2.117 99 D HA -0.188 nan 4.640 nan 0.000 0.198 99 D C 2.105 178.409 176.300 0.007 0.000 0.982 99 D CA 3.098 57.133 54.000 0.058 0.000 0.828 99 D CB -0.205 40.704 40.800 0.181 0.000 0.967 99 D HN -0.665 7.740 8.370 0.058 0.000 0.464 100 L N 0.288 121.505 121.223 -0.011 0.000 2.042 100 L HA -0.276 nan 4.340 nan 0.000 0.210 100 L C 1.800 178.635 176.870 -0.058 0.000 1.076 100 L CA 3.359 58.170 54.840 -0.048 0.000 0.749 100 L CB -0.028 42.008 42.059 -0.038 0.000 0.893 100 L HN -0.119 8.114 8.230 0.005 0.000 0.432 101 L N -2.839 118.369 121.223 -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 -0.177 0.000 1.095 101 L CA 3.130 57.953 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 -0.012 8.223 8.230 0.009 0.000 0.439 102 T N 3.216 117.631 114.554 -0.231 0.000 2.701 102 T HA -0.348 nan 4.350 nan 0.000 0.263 102 T C 2.080 176.548 174.700 -0.387 0.000 1.040 102 T CA 5.300 67.086 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 1.079 121.510 120.570 -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 4.200 65.364 61.300 -0.227 0.000 1.363 103 I CB -0.623 37.291 38.000 -0.144 0.000 1.051 103 I HN 0.346 8.460 8.210 -0.159 0.000 0.413 104 A N -1.080 121.631 122.820 -0.181 0.000 1.908 104 A HA -0.375 nan 4.320 nan 0.000 0.218 104 A C 1.768 179.263 177.584 -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 0.189 8.242 8.150 -0.162 0.000 0.445 105 A N -1.732 120.975 122.820 -0.189 0.000 1.902 105 A HA -0.346 nan 4.320 nan 0.000 0.217 105 A C 2.011 179.512 177.584 -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 2.358 178.122 176.000 -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 27.907 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 -1.301 118.326 119.800 -0.288 0.000 2.124 107 Q HA -0.267 nan 4.340 nan 0.000 0.202 107 Q C 2.743 178.674 176.000 -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 0.249 8.349 8.270 -0.283 0.000 0.429 108 S N 0.944 116.598 115.700 -0.077 0.000 2.382 108 S HA -0.345 nan 4.470 nan 0.000 0.228 108 S C 2.361 176.985 174.600 0.039 0.000 1.027 108 S CA 3.537 61.744 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 0.112 8.365 8.310 -0.096 0.000 0.469 109 V N 1.695 121.563 119.914 -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 4.793 66.880 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 2.508 116.936 114.554 -0.209 0.000 2.708 110 T HA -0.306 nan 4.350 nan 0.000 0.266 110 T C 2.356 177.013 174.700 -0.072 0.000 1.037 110 T CA 4.901 66.916 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 -0.236 nan 4.340 nan 0.000 0.215 111 L C 1.194 178.095 176.870 0.051 0.000 1.117 111 L CA 2.572 57.414 54.840 0.004 0.000 0.782 111 L CB -0.373 41.691 42.059 0.008 0.000 0.914 111 L HN 0.336 8.529 8.230 -0.062 0.000 0.441 112 A N -3.830 119.036 122.820 0.077 0.000 2.307 112 A HA 0.208 nan 4.320 nan 0.000 0.218 112 A C -0.185 177.470 177.584 0.118 0.000 1.228 112 A CA -0.375 51.760 52.037 0.163 0.000 0.857 112 A CB 0.203 19.413 19.000 0.349 0.000 0.897 112 A HN -0.355 7.678 8.150 0.032 0.136 0.495 113 G N -3.612 105.221 108.800 0.056 0.000 2.144 113 G HA2 -0.287 nan 3.960 nan 0.000 0.218 113 G HA3 -0.287 nan 3.960 nan 0.000 0.218 113 G C -0.084 174.857 174.900 0.068 0.000 0.988 113 G CA -0.400 44.748 45.100 0.082 0.000 0.659 113 G HN 0.083 8.156 8.290 0.016 0.227 0.522 114 G N 1.761 110.468 108.800 -0.154 0.000 2.525 114 G HA2 0.272 nan 3.960 nan 0.000 0.287 114 G HA3 0.272 nan 3.960 nan 0.000 0.287 114 G C -2.150 172.389 174.900 -0.602 0.000 1.350 114 G CA -2.064 42.695 45.100 -0.569 0.000 1.039 114 G HN 0.151 8.233 8.290 -0.194 0.091 0.513 115 P HA 0.022 nan 4.420 nan 0.000 0.271 115 P C -1.495 175.811 177.300 0.010 0.000 1.244 115 P CA -0.182 62.691 63.100 -0.379 0.000 0.793 115 P CB 1.269 32.684 31.700 -0.476 0.000 0.984 116 S N -0.420 115.365 115.700 0.140 0.000 2.561 116 S HA 0.371 nan 4.470 nan 0.000 0.303 116 S C -1.766 173.041 174.600 0.345 0.000 1.110 116 S CA -1.254 57.061 58.200 0.191 0.000 1.034 116 S CB 0.773 64.011 63.200 0.063 0.000 1.010 116 S HN 0.149 8.519 8.310 0.100 0.000 0.482 117 W N 2.715 123.964 121.300 -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 -0.876 56.433 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 1.881 122.389 120.500 0.014 0.000 2.229 118 R HA 0.227 nan 4.340 nan 0.000 0.332 118 R C -0.936 175.303 176.300 -0.101 0.000 0.989 118 R CA -0.745 55.282 56.100 -0.122 0.000 0.842 118 R CB 0.422 30.715 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 1.419 121.166 119.914 -0.279 0.000 2.686 119 V HA 0.268 nan 4.120 nan 0.000 0.295 119 V C -1.405 174.680 176.094 -0.015 0.000 1.055 119 V CA -4.250 57.986 62.300 -0.107 0.000 1.050 119 V CB -0.829 30.873 31.823 -0.201 0.000 0.984 119 V HN 0.368 8.319 8.190 -0.399 0.000 0.482 120 P HA 0.113 nan 4.420 nan 0.000 0.269 120 P C -1.722 175.556 177.300 -0.036 0.000 1.209 120 P CA 0.567 63.673 63.100 0.010 0.000 0.776 120 P CB 0.388 32.101 31.700 0.023 0.000 0.876 121 L N 0.591 121.760 121.223 -0.090 0.000 2.250 121 L HA 0.472 nan 4.340 nan 0.000 0.252 121 L C -0.006 176.542 176.870 -0.538 0.000 1.054 121 L CA -0.930 53.791 54.840 -0.198 0.000 0.856 121 L CB 3.535 45.532 42.059 -0.104 0.000 1.443 121 L HN 0.255 8.362 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 -1.107 173.423 174.900 -0.618 0.000 1.000 122 G CA -0.374 43.828 45.100 -1.497 0.000 0.664 122 G HN 0.252 8.645 8.290 -0.570 -0.445 0.513 123 R N -0.666 119.649 120.500 -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 0.133 56.149 56.100 -0.140 0.000 1.177 123 R CB 0.827 31.094 30.300 -0.054 0.000 1.091 123 R HN -0.382 8.116 8.270 -0.267 -0.388 0.540 124 R N -1.083 119.396 120.500 -0.035 0.000 2.888 124 R HA 0.603 nan 4.340 nan 0.000 0.266 124 R C -1.042 175.270 176.300 0.019 0.000 1.020 124 R CA -1.171 54.931 56.100 0.004 0.000 0.963 124 R CB 3.475 33.779 30.300 0.008 0.000 1.197 124 R HN 0.386 8.634 8.270 -0.036 0.000 0.481 125 D N 1.043 121.460 120.400 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 -0.473 53.545 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 0.325 8.715 8.370 0.033 0.000 0.437 126 S N 2.416 118.132 115.700 0.026 0.000 2.589 126 S HA 0.046 nan 4.470 nan 0.000 0.265 126 S C 0.741 175.321 174.600 -0.033 0.000 1.342 126 S CA 0.614 58.828 58.200 0.024 0.000 1.005 126 S CB 1.183 64.423 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 -1.510 119.684 121.223 -0.048 0.000 2.554 127 L HA 0.106 nan 4.340 nan 0.000 0.225 127 L C -1.145 175.599 176.870 -0.209 0.000 1.104 127 L CA 0.577 55.382 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 -5.815 113.662 119.800 -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 -2.329 52.660 55.803 -1.357 0.000 0.771 128 Q CB 3.169 31.295 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 -0.713 120.959 122.820 -1.913 0.000 2.312 129 A HA 0.369 nan 4.320 nan 0.000 0.328 129 A C -0.637 176.279 177.584 -1.114 0.000 1.158 129 A CA -1.054 50.299 52.037 -1.139 0.000 0.821 129 A CB 1.798 20.476 19.000 -0.536 0.000 1.170 129 A HN 0.202 6.620 8.150 -2.888 0.000 0.490 130 F N 1.256 121.100 119.950 -0.177 0.000 2.371 130 F HA 0.251 nan 4.527 nan 0.000 0.343 130 F C -0.195 175.553 175.800 -0.086 0.000 1.150 130 F CA -1.439 56.492 58.000 -0.116 0.000 1.220 130 F CB -0.791 38.145 39.000 -0.107 0.000 1.475 130 F HN 0.220 8.700 8.300 -0.251 -0.331 0.521 131 L N 3.342 124.577 121.223 0.019 0.000 2.012 131 L HA -0.372 nan 4.340 nan 0.000 0.210 131 L C 0.664 177.513 176.870 -0.034 0.000 1.073 131 L CA 3.979 58.803 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 -0.016 8.202 8.230 -0.020 0.000 0.431 132 D N -1.157 119.246 120.400 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 -0.698 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 -0.263 120.985 121.223 0.042 0.000 2.046 133 L HA -0.270 nan 4.340 nan 0.000 0.208 133 L C 1.278 178.150 176.870 0.003 0.000 1.077 133 L CA 2.371 57.220 54.840 0.016 0.000 0.747 133 L CB -0.382 41.675 42.059 -0.004 0.000 0.896 133 L HN -0.419 7.860 8.230 0.083 0.000 0.432 134 A N -1.127 121.694 122.820 0.001 0.000 1.902 134 A HA -0.409 nan 4.320 nan 0.000 0.217 134 A C 2.056 179.607 177.584 -0.054 0.000 1.181 134 A CA 3.389 55.398 52.037 -0.046 0.000 0.623 134 A CB -0.922 18.040 19.000 -0.063 0.000 0.818 134 A HN 0.370 8.467 8.150 0.030 0.071 0.443 135 N N -1.343 117.319 118.700 -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 2.536 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 0.046 8.308 8.380 -0.080 0.070 0.429 136 A N -1.539 121.330 122.820 0.081 0.000 2.021 136 A HA -0.011 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 1.901 54.004 52.037 0.109 0.000 0.676 136 A CB 0.289 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 -0.174 175.410 175.510 0.124 0.000 1.048 137 N CA 0.552 53.655 53.050 0.088 0.000 0.895 137 N CB 1.322 39.827 38.487 0.030 0.000 1.036 137 N HN -0.257 8.053 8.380 0.036 0.092 0.449 138 L N 1.247 122.470 121.223 -0.000 0.000 2.360 138 L HA 0.137 nan 4.340 nan 0.000 0.276 138 L C -1.504 175.303 176.870 -0.106 0.000 1.121 138 L CA -1.315 53.433 54.840 -0.153 0.000 0.845 138 L CB -0.445 41.396 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 -0.446 0.000 0.793 139 P CB 1.043 32.712 31.700 -0.053 0.000 0.977 140 A N -0.677 121.122 122.820 -1.702 0.000 2.356 140 A HA 0.482 nan 4.320 nan 0.000 0.323 140 A C -0.292 176.735 177.584 -0.928 0.000 1.119 140 A CA -2.712 48.621 52.037 -1.173 0.000 0.790 140 A CB 0.884 19.060 19.000 -1.373 0.000 1.273 140 A HN 0.063 6.128 8.150 -3.474 0.000 0.452 141 P HA -0.144 nan 4.420 nan 0.000 0.219 141 P C -0.081 177.240 177.300 0.036 0.000 1.146 141 P CA 2.281 65.308 63.100 -0.122 0.000 0.808 141 P CB 0.053 31.751 31.700 -0.004 0.000 0.779 142 F N -7.395 112.662 119.950 0.179 0.000 2.773 142 F HA 0.114 nan 4.527 nan 0.000 0.304 142 F C -1.073 174.972 175.800 0.409 0.000 1.129 142 F CA -1.731 56.431 58.000 0.271 0.000 1.378 142 F CB -0.795 38.343 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 2.134 122.020 119.950 -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 56.999 58.000 0.019 0.000 1.268 143 F CB 0.477 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 0.786 175.586 174.700 0.166 0.000 0.984 144 T CA -2.041 60.169 62.100 0.184 0.000 0.972 144 T CB 2.230 71.168 68.868 0.116 0.000 1.039 144 T HN 0.230 8.894 8.240 0.145 -0.337 0.530 145 L N 0.316 121.615 121.223 0.128 0.000 2.012 145 L HA -0.040 nan 4.340 nan 0.000 0.210 145 L C -0.897 176.023 176.870 0.085 0.000 1.073 145 L CA 4.360 59.261 54.840 0.102 0.000 0.748 145 L CB -2.360 39.742 42.059 0.072 0.000 0.891 145 L HN 0.562 8.864 8.230 0.121 0.000 0.431 146 P HA -0.230 nan 4.420 nan 0.000 0.218 146 P C 2.032 179.363 177.300 0.053 0.000 1.149 146 P CA 3.025 66.153 63.100 0.048 0.000 0.817 146 P CB -0.543 31.175 31.700 0.030 0.000 0.785 147 Q N -1.672 118.152 119.800 0.039 0.000 2.083 147 Q HA -0.279 nan 4.340 nan 0.000 0.198 147 Q C 2.684 178.800 176.000 0.194 0.000 0.969 147 Q CA 3.318 59.109 55.803 -0.020 0.000 0.838 147 Q CB -0.172 28.396 28.738 -0.284 0.000 0.900 147 Q HN -0.642 7.554 8.270 0.047 0.102 0.436 148 L N -0.039 121.359 121.223 0.293 0.000 2.017 148 L HA -0.437 nan 4.340 nan 0.000 0.208 148 L C 1.896 178.941 176.870 0.292 0.000 1.073 148 L CA 3.439 58.496 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 0.234 8.528 8.230 0.231 0.074 0.432 149 K N -1.359 119.135 120.400 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 -0.493 32.049 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 -0.863 119.636 120.400 0.166 0.000 2.117 150 D HA -0.173 nan 4.640 nan 0.000 0.197 150 D C 2.346 178.766 176.300 0.200 0.000 0.987 150 D CA 3.110 57.194 54.000 0.140 0.000 0.829 150 D CB -0.151 40.698 40.800 0.081 0.000 0.961 150 D HN -0.277 7.995 8.370 0.140 0.181 0.460 151 S N 0.353 116.243 115.700 0.316 0.000 2.368 151 S HA -0.251 nan 4.470 nan 0.000 0.225 151 S C 2.355 177.188 174.600 0.389 0.000 1.030 151 S CA 3.208 61.646 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 -0.222 8.209 8.310 0.336 0.080 0.459 152 F N 0.636 120.730 119.950 0.242 0.000 2.206 152 F HA -0.197 nan 4.527 nan 0.000 0.298 152 F C 1.704 177.511 175.800 0.012 0.000 1.090 152 F CA 3.055 61.162 58.000 0.180 0.000 1.323 152 F CB -0.073 39.065 39.000 0.230 0.000 1.028 152 F HN -0.176 8.597 8.300 0.787 0.000 0.492 153 R N -0.536 120.099 120.500 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 59.561 56.100 0.099 0.000 0.968 153 R CB -0.416 29.941 30.300 0.095 0.000 0.861 153 R HN -0.009 8.435 8.270 0.291 0.000 0.440 154 N N -0.208 118.497 118.700 0.008 0.000 2.192 154 N HA -0.230 nan 4.740 nan 0.000 0.188 154 N C 1.050 176.478 175.510 -0.137 0.000 1.013 154 N CA 2.966 55.989 53.050 -0.045 0.000 0.863 154 N CB 0.383 38.862 38.487 -0.013 0.000 0.990 154 N HN -0.108 8.304 8.380 0.067 0.009 0.430 155 V N -8.852 110.909 119.914 -0.255 0.000 3.542 155 V HA 0.413 nan 4.120 nan 0.000 0.296 155 V C 0.080 176.015 176.094 -0.266 0.000 1.364 155 V CA -1.732 60.347 62.300 -0.368 0.000 1.118 155 V CB -0.737 30.618 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 -0.706 108.000 108.800 -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 -0.279 174.597 174.900 -0.039 0.000 0.986 156 G CA 0.095 45.142 45.100 -0.088 0.000 0.643 156 G HN -0.084 7.919 8.290 -0.123 0.212 0.522 157 L N 2.359 123.569 121.223 -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 -0.619 54.286 54.840 0.109 0.000 1.144 157 L CB -1.550 40.641 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 0.922 119.680 118.700 0.098 0.000 2.383 158 N HA -0.052 nan 4.740 nan 0.000 0.192 158 N C -0.049 175.509 175.510 0.080 0.000 1.141 158 N CA 0.067 53.169 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 0.393 176.733 176.300 0.067 0.000 0.970 159 R CA -1.177 54.965 56.100 0.069 0.000 0.946 159 R CB 1.686 32.027 30.300 0.068 0.000 1.127 159 R HN -0.485 8.085 8.270 0.115 -0.231 0.473 160 S N 3.865 119.590 115.700 0.041 0.000 2.399 160 S HA -0.373 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 3.337 61.550 58.200 0.022 0.000 0.983 160 S CB -0.319 62.883 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 0.486 116.238 115.700 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 3.046 61.350 58.200 0.173 0.000 0.983 161 S CB -0.688 62.623 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 3.153 123.641 120.400 0.147 0.000 2.092 162 D HA -0.267 nan 4.640 nan 0.000 0.193 162 D C 1.914 178.311 176.300 0.162 0.000 0.994 162 D CA 2.971 57.085 54.000 0.191 0.000 0.828 162 D CB -0.412 40.546 40.800 0.264 0.000 0.963 162 D HN -0.567 7.757 8.370 0.123 0.120 0.450 163 L N -0.414 120.774 121.223 -0.058 0.000 2.056 163 L HA -0.203 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 3.176 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 -0.723 7.495 8.230 -0.020 0.000 0.433 164 V N -1.199 118.776 119.914 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 0.115 8.355 8.190 0.084 0.000 0.453 165 A N -0.244 122.896 122.820 0.534 0.000 1.873 165 A HA -0.233 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 55.778 52.037 0.531 0.000 0.616 165 A CB -0.655 18.520 19.000 0.292 0.000 0.823 165 A HN 0.295 8.583 8.150 0.422 0.115 0.442 166 L N -2.966 118.423 121.223 0.276 0.000 2.201 166 L HA -0.342 nan 4.340 nan 0.000 0.212 166 L C 2.549 179.434 176.870 0.025 0.000 1.105 166 L CA 2.497 57.443 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 0.187 115.869 115.700 -0.029 0.000 2.474 167 S HA -0.189 nan 4.470 nan 0.000 0.235 167 S C 2.070 176.241 174.600 -0.714 0.000 0.997 167 S CA 3.579 61.587 58.200 -0.318 0.000 0.949 167 S CB -0.838 62.327 63.200 -0.058 0.000 0.766 167 S HN -0.131 8.217 8.310 0.093 0.018 0.517 168 G N -0.005 108.579 108.800 -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 0.760 175.298 174.900 -0.603 0.000 1.128 168 G CA 0.899 45.597 45.100 -0.670 0.000 0.774 168 G HN -0.017 8.196 8.290 0.131 0.156 0.543 169 G N 0.462 109.051 108.800 -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 0.524 175.286 174.900 -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 0.177 0.547 170 H N -0.604 118.073 119.070 -0.655 0.000 2.547 170 H HA 0.014 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 -0.550 55.074 56.048 -0.706 0.000 1.155 170 H CB -0.457 28.802 29.762 -0.839 0.000 1.344 170 H HN -0.517 6.991 8.280 -1.018 0.161 0.598 171 T N -0.050 114.314 114.554 -0.316 0.000 3.113 171 T HA -0.026 nan 4.350 nan 0.000 0.263 171 T C -1.333 173.393 174.700 0.043 0.000 1.143 171 T CA 1.213 63.170 62.100 -0.238 0.000 1.090 171 T CB 0.462 68.951 68.868 -0.633 0.000 0.922 171 T HN -0.194 7.557 8.240 -0.503 0.187 0.521 172 F N -4.805 115.138 119.950 -0.013 0.000 2.923 172 F HA 0.553 nan 4.527 nan 0.000 0.323 172 F C -0.861 175.030 175.800 0.153 0.000 1.189 172 F CA -2.819 55.233 58.000 0.086 0.000 0.930 172 F CB 1.093 40.151 39.000 0.097 0.000 1.414 172 F HN -0.954 7.606 8.300 0.534 0.061 0.496 173 G N -1.219 107.661 108.800 0.134 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 -2.404 172.663 174.900 0.277 0.000 1.320 173 G CA -0.076 45.070 45.100 0.078 0.000 0.847 173 G HN -0.130 8.235 8.290 0.124 0.000 0.553 174 K N -0.337 120.194 120.400 0.218 0.000 2.295 174 K HA 0.792 nan 4.320 nan 0.000 0.239 174 K C -1.384 175.243 176.600 0.044 0.000 0.991 174 K CA -1.711 54.636 56.287 0.101 0.000 0.845 174 K CB 3.122 35.649 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 -0.167 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 -0.521 52.423 53.050 -0.177 0.000 0.840 175 N CB 3.177 41.204 38.487 -0.768 0.000 1.633 175 N HN 0.538 8.822 8.380 -0.160 0.000 0.476 176 Q N 2.949 122.850 119.800 0.168 0.000 2.340 176 Q HA 0.155 nan 4.340 nan 0.000 0.249 176 Q C 1.244 177.224 176.000 -0.034 0.000 0.957 176 Q CA 0.334 56.161 55.803 0.040 0.000 0.882 176 Q CB 1.587 30.297 28.738 -0.046 0.000 1.235 176 Q HN 0.156 8.667 8.270 0.402 0.000 0.439 177 c N 3.989 122.544 118.600 -0.075 0.000 2.403 177 c HA -0.397 nan 4.570 nan 0.000 0.277 177 c C 2.092 176.124 174.090 -0.097 0.000 1.248 177 c CA 3.894 60.184 56.329 -0.066 0.000 1.762 177 c CB -1.596 40.888 42.510 -0.045 0.000 2.014 177 c HN 0.838 9.029 8.230 -0.066 0.000 0.486 178 R N 1.233 121.595 120.500 -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 -0.250 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 0.041 8.144 8.270 -0.254 0.014 0.449 179 F N -2.989 116.989 119.950 0.046 0.000 2.748 179 F HA -0.101 nan 4.527 nan 0.000 0.299 179 F C 0.050 175.889 175.800 0.066 0.000 1.154 179 F CA 1.715 59.760 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 -0.438 7.548 8.300 -0.306 0.131 0.584 180 I N -7.777 112.881 120.570 0.146 0.000 4.240 180 I HA 0.276 nan 4.170 nan 0.000 0.331 180 I C 0.661 176.814 176.117 0.060 0.000 1.381 180 I CA -0.513 60.837 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 2.151 121.804 119.600 0.088 0.000 2.065 181 M HA -0.432 nan 4.480 nan 0.000 0.259 181 M C 1.866 178.272 176.300 0.175 0.000 1.069 181 M CA 3.436 58.824 55.300 0.147 0.000 1.110 181 M CB -1.677 31.014 32.600 0.151 0.000 1.328 181 M HN -0.660 7.676 8.290 0.077 0.000 0.405 182 D N -2.149 118.352 120.400 0.169 0.000 2.190 182 D HA -0.303 nan 4.640 nan 0.000 0.200 182 D C 2.439 178.913 176.300 0.290 0.000 0.992 182 D CA 3.082 57.193 54.000 0.185 0.000 0.854 182 D CB -0.682 40.186 40.800 0.114 0.000 0.936 182 D HN 0.355 8.816 8.370 0.151 0.000 0.462 183 R N -1.840 118.808 120.500 0.246 0.000 2.093 183 R HA -0.150 nan 4.340 nan 0.000 0.224 183 R C 2.383 178.639 176.300 -0.074 0.000 1.101 183 R CA 2.506 58.683 56.100 0.129 0.000 0.979 183 R CB 0.174 30.465 30.300 -0.015 0.000 0.877 183 R HN -0.766 7.512 8.270 0.196 0.110 0.441 184 L N -1.844 119.258 121.223 -0.200 0.000 2.240 184 L HA -0.228 nan 4.340 nan 0.000 0.211 184 L C 1.505 177.961 176.870 -0.690 0.000 1.106 184 L CA 2.915 57.428 54.840 -0.544 0.000 0.793 184 L CB -0.037 41.493 42.059 -0.881 0.000 0.927 184 L HN -0.416 7.646 8.230 -0.121 0.096 0.446 185 Y N -6.317 114.007 120.300 0.041 0.000 2.769 185 Y HA 0.005 nan 4.550 nan 0.000 0.266 185 Y C -0.044 175.891 175.900 0.059 0.000 1.091 185 Y CA 0.790 58.912 58.100 0.036 0.000 1.272 185 Y CB 1.778 40.249 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 -0.533 118.307 118.700 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 -0.582 52.567 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 -0.757 7.774 8.380 0.251 0.000 0.532 187 F N 6.239 126.213 119.950 0.039 0.000 2.444 187 F HA 0.097 nan 4.527 nan 0.000 0.360 187 F C -0.599 175.222 175.800 0.035 0.000 1.106 187 F CA -0.176 57.846 58.000 0.036 0.000 1.170 187 F CB 1.158 40.175 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 59.031 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 -3.297 115.339 118.700 -0.107 0.000 2.732 189 N HA -0.284 nan 4.740 nan 0.000 0.250 189 N C 0.547 176.051 175.510 -0.009 0.000 1.097 189 N CA 1.189 54.213 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 -6.275 108.288 114.554 0.014 0.000 3.085 190 T HA 0.039 nan 4.350 nan 0.000 0.263 190 T C 1.546 176.279 174.700 0.055 0.000 1.127 190 T CA 0.478 62.606 62.100 0.048 0.000 1.103 190 T CB 0.321 69.245 68.868 0.094 0.000 0.921 190 T HN -0.198 7.870 8.240 0.006 0.175 0.510 191 G N 2.088 110.923 108.800 0.060 0.000 2.162 191 G HA2 -0.404 nan 3.960 nan 0.000 0.260 191 G HA3 -0.404 nan 3.960 nan 0.000 0.260 191 G C -1.104 173.844 174.900 0.080 0.000 0.976 191 G CA 0.311 45.448 45.100 0.061 0.000 0.655 191 G HN 0.205 8.804 8.290 0.056 -0.275 0.533 192 L N -1.141 120.142 121.223 0.101 0.000 2.359 192 L HA 0.546 nan 4.340 nan 0.000 0.256 192 L C -2.099 174.845 176.870 0.124 0.000 1.026 192 L CA -3.622 51.276 54.840 0.097 0.000 0.828 192 L CB 2.417 44.522 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 -0.596 62.511 63.100 0.012 0.000 0.795 193 P CB 0.352 32.008 31.700 -0.073 0.000 1.006 194 D N 0.653 120.919 120.400 -0.223 0.000 2.412 194 D HA 0.026 nan 4.640 nan 0.000 0.257 194 D C 0.759 176.887 176.300 -0.287 0.000 1.217 194 D CA -2.032 51.615 54.000 -0.588 0.000 0.897 194 D CB 0.304 40.495 40.800 -1.014 0.000 1.132 194 D HN -0.157 8.092 8.370 -0.201 0.000 0.493 195 P HA -0.134 nan 4.420 nan 0.000 0.223 195 P C -0.037 177.211 177.300 -0.085 0.000 1.144 195 P CA 1.447 64.496 63.100 -0.086 0.000 0.783 195 P CB -0.093 31.590 31.700 -0.028 0.000 0.771 196 T N -6.710 107.765 114.554 -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 -0.743 61.314 62.100 -0.072 0.000 0.989 196 T CB -0.013 68.823 68.868 -0.054 0.000 0.992 196 T HN -0.169 8.226 8.240 -0.219 -0.286 0.540 197 L N 2.272 123.433 121.223 -0.104 0.000 2.257 197 L HA 0.165 nan 4.340 nan 0.000 0.290 197 L C -0.616 176.234 176.870 -0.034 0.000 1.044 197 L CA -1.268 53.524 54.840 -0.080 0.000 0.810 197 L CB 1.199 43.167 42.059 -0.151 0.000 1.193 197 L HN -0.556 7.516 8.230 -0.137 0.076 0.425 198 N N 7.300 126.014 118.700 0.024 0.000 2.292 198 N HA -0.215 nan 4.740 nan 0.000 0.258 198 N C 0.595 176.125 175.510 0.033 0.000 1.261 198 N CA 1.299 54.371 53.050 0.037 0.000 0.845 198 N CB 1.580 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 1.129 115.690 114.554 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 2.963 65.063 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 5.174 119.752 114.554 0.039 0.000 2.812 200 T HA -0.185 nan 4.350 nan 0.000 0.264 200 T C 1.475 176.240 174.700 0.107 0.000 1.042 200 T CA 4.335 66.463 62.100 0.048 0.000 1.140 200 T CB -0.588 68.297 68.868 0.029 0.000 0.870 200 T HN -0.154 8.307 8.240 0.036 -0.199 0.445 201 Y N 3.021 123.291 120.300 -0.049 0.000 2.224 201 Y HA -0.273 nan 4.550 nan 0.000 0.289 201 Y C 1.115 176.976 175.900 -0.064 0.000 1.146 201 Y CA 0.659 58.726 58.100 -0.055 0.000 1.182 201 Y CB -0.291 38.132 38.460 -0.062 0.000 0.983 201 Y HN -0.165 8.569 8.280 0.189 -0.340 0.524 202 L N -0.588 120.617 121.223 -0.030 0.000 2.043 202 L HA -0.473 nan 4.340 nan 0.000 0.212 202 L C 1.917 178.715 176.870 -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 0.025 8.192 8.230 0.036 0.085 0.432 203 Q N -2.623 117.152 119.800 -0.042 0.000 2.050 203 Q HA -0.332 nan 4.340 nan 0.000 0.202 203 Q C 2.868 178.860 176.000 -0.013 0.000 0.980 203 Q CA 2.796 58.587 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 3.762 118.328 114.554 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 4.783 66.907 62.100 0.041 0.000 1.148 204 T CB -0.503 68.455 68.868 0.149 0.000 0.863 204 T HN -0.593 7.608 8.240 0.055 0.071 0.436 205 L N 0.434 121.579 121.223 -0.130 0.000 2.042 205 L HA -0.506 nan 4.340 nan 0.000 0.210 205 L C 1.964 178.762 176.870 -0.121 0.000 1.076 205 L CA 3.452 58.171 54.840 -0.201 0.000 0.749 205 L CB -0.681 41.143 42.059 -0.391 0.000 0.893 205 L HN 0.330 8.459 8.230 -0.168 0.000 0.432 206 R N -2.733 117.699 120.500 -0.113 0.000 2.152 206 R HA -0.301 nan 4.340 nan 0.000 0.232 206 R C 2.059 178.387 176.300 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 0.016 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 46.151 45.100 0.024 0.000 0.784 207 G HN -0.493 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 -0.190 176.683 176.870 0.005 0.000 1.096 208 L CA 1.423 56.263 54.840 -0.000 0.000 0.779 208 L CB 0.865 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 -0.530 118.082 118.600 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 -3.233 53.126 56.329 0.051 0.000 1.554 209 c CB -1.102 41.428 42.510 0.033 0.000 1.778 209 c HN 0.106 8.252 8.230 0.015 0.093 0.429 210 P HA 0.146 nan 4.420 nan 0.000 0.271 210 P C 0.065 177.367 177.300 0.003 0.000 1.218 210 P CA -0.471 62.679 63.100 0.084 0.000 0.780 210 P CB 0.455 32.169 31.700 0.025 0.000 0.901 211 L N 2.776 123.893 121.223 -0.177 0.000 2.263 211 L HA -0.325 nan 4.340 nan 0.000 0.216 211 L C 0.021 176.761 176.870 -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 0.386 8.535 8.230 -0.134 0.000 0.439 212 N N -3.903 114.724 118.700 -0.122 0.000 2.517 212 N HA 0.071 nan 4.740 nan 0.000 0.285 212 N C -0.646 174.833 175.510 -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 -0.283 108.493 108.800 -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 -1.917 172.968 174.900 -0.025 0.000 1.402 213 G CA -1.359 43.727 45.100 -0.023 0.000 1.046 213 G HN -0.270 7.995 8.290 -0.042 0.000 0.565 214 N N -0.021 118.666 118.700 -0.020 0.000 2.406 214 N HA 0.030 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 -0.693 52.342 53.050 -0.025 0.000 0.947 214 N CB 0.357 38.834 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 5.540 126.733 121.223 -0.049 0.000 2.456 215 L HA -0.187 nan 4.340 nan 0.000 0.224 215 L C 0.787 177.595 176.870 -0.103 0.000 1.148 215 L CA 2.005 56.797 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 -2.724 112.936 115.700 -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 0.045 58.215 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 1.169 123.972 122.820 -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 0.437 52.464 52.037 -0.017 0.000 0.777 217 A CB 1.201 20.191 19.000 -0.016 0.000 1.013 217 A HN -0.715 7.250 8.150 -0.036 0.164 0.493 218 L N 0.643 121.860 121.223 -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 -1.074 53.758 54.840 -0.014 0.000 0.806 218 L CB 1.722 43.783 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 -1.746 118.132 119.914 -0.059 0.000 2.914 219 V HA 0.497 nan 4.120 nan 0.000 0.314 219 V C -1.527 174.515 176.094 -0.086 0.000 1.084 219 V CA -3.081 59.181 62.300 -0.063 0.000 0.963 219 V CB 3.668 35.439 31.823 -0.087 0.000 1.025 219 V HN 0.819 8.852 8.190 -0.084 0.106 0.432 220 D N 1.726 122.113 120.400 -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 54.757 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 -0.283 nan 4.527 nan 0.000 0.299 221 F C 0.177 176.044 175.800 0.112 0.000 1.090 221 F CA 3.553 61.592 58.000 0.066 0.000 1.307 221 F CB 0.954 39.981 39.000 0.046 0.000 1.019 221 F HN 0.143 8.612 8.300 0.281 0.000 0.489 222 D N -2.028 118.545 120.400 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 -1.839 52.265 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 8.063 8.370 0.283 0.017 0.531 223 L N -0.031 121.206 121.223 0.022 0.000 2.217 223 L HA 0.049 nan 4.340 nan 0.000 0.211 223 L C 0.880 177.719 176.870 -0.052 0.000 1.107 223 L CA 1.762 56.579 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 8.433 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 -0.034 176.261 176.300 -0.009 0.000 1.149 224 R CA 1.627 57.699 56.100 -0.048 0.000 0.937 224 R CB 0.636 30.898 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 -4.454 110.107 114.554 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 58.548 62.100 0.039 0.000 1.235 225 T CB 0.110 68.998 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 -0.308 177.110 177.300 0.196 0.000 1.146 226 P CA 2.195 65.377 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 -11.742 102.921 114.554 0.182 0.000 3.040 227 T HA 0.135 nan 4.350 nan 0.000 0.266 227 T C -0.318 174.547 174.700 0.274 0.000 1.005 227 T CA -1.254 60.992 62.100 0.244 0.000 0.906 227 T CB 0.191 69.155 68.868 0.160 0.000 1.082 227 T HN -0.242 8.049 8.240 0.136 0.031 0.531 228 I N 2.575 123.253 120.570 0.180 0.000 2.377 228 I HA 0.132 nan 4.170 nan 0.000 0.293 228 I C -1.520 174.617 176.117 0.032 0.000 0.987 228 I CA -1.013 60.367 61.300 0.133 0.000 1.185 228 I CB 1.794 39.853 38.000 0.098 0.000 1.341 228 I HN -0.785 7.404 8.210 0.147 0.109 0.455 229 F N 9.759 129.615 119.950 -0.158 0.000 2.439 229 F HA -0.161 nan 4.527 nan 0.000 0.356 229 F C -1.567 174.237 175.800 0.006 0.000 1.161 229 F CA 0.357 58.155 58.000 -0.337 0.000 1.151 229 F CB 0.129 38.786 39.000 -0.571 0.000 1.222 229 F HN 0.529 8.813 8.300 0.158 0.111 0.558 230 D N 4.371 124.691 120.400 -0.134 0.000 2.825 230 D HA 0.242 nan 4.640 nan 0.000 0.327 230 D C -0.938 175.411 176.300 0.081 0.000 1.277 230 D CA -1.232 52.885 54.000 0.195 0.000 0.950 230 D CB 1.657 42.518 40.800 0.102 0.000 1.438 230 D HN -0.397 7.706 8.370 -0.445 0.000 0.526 231 N N -2.657 116.093 118.700 0.082 0.000 2.383 231 N HA -0.116 nan 4.740 nan 0.000 0.192 231 N C 1.411 176.888 175.510 -0.055 0.000 1.141 231 N CA 0.267 53.271 53.050 -0.078 0.000 0.851 231 N CB -0.541 37.941 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 0.309 120.668 120.400 -0.067 0.000 2.218 232 K HA -0.366 nan 4.320 nan 0.000 0.205 232 K C 1.309 177.838 176.600 -0.117 0.000 1.046 232 K CA 2.366 58.609 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 0.731 120.833 120.300 -0.329 0.000 2.139 233 Y HA -0.505 nan 4.550 nan 0.000 0.282 233 Y C 1.925 177.533 175.900 -0.487 0.000 1.179 233 Y CA 3.723 61.556 58.100 -0.445 0.000 1.161 233 Y CB -0.345 37.692 38.460 -0.704 0.000 0.970 233 Y HN -0.438 7.735 8.280 -0.122 0.035 0.511 234 Y N -4.272 115.876 120.300 -0.254 0.000 2.263 234 Y HA -0.381 nan 4.550 nan 0.000 0.292 234 Y C 2.225 177.928 175.900 -0.327 0.000 1.130 234 Y CA 4.200 62.111 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 -0.340 7.793 8.280 -0.233 0.008 0.532 235 V N 0.018 119.855 119.914 -0.128 0.000 2.332 235 V HA -0.557 nan 4.120 nan 0.000 0.248 235 V C 1.943 177.891 176.094 -0.244 0.000 1.055 235 V CA 4.173 66.374 62.300 -0.164 0.000 1.038 235 V CB -1.092 30.661 31.823 -0.117 0.000 0.651 235 V HN -0.530 7.526 8.190 -0.081 0.085 0.450 236 N N -0.906 117.631 118.700 -0.271 0.000 2.120 236 N HA -0.288 nan 4.740 nan 0.000 0.188 236 N C 2.256 177.565 175.510 -0.335 0.000 1.024 236 N CA 2.791 55.672 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 -0.218 8.006 8.380 -0.261 0.000 0.424 237 L N -0.606 120.347 121.223 -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 3.525 58.074 54.840 -0.486 0.000 0.752 237 L CB -0.584 41.180 42.059 -0.491 0.000 0.896 237 L HN -0.495 7.346 8.230 -0.510 0.084 0.433 238 E N -2.490 117.222 120.200 -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 2.276 58.080 56.400 -0.992 0.000 0.836 238 E CB -0.328 29.017 29.700 -0.592 0.000 0.763 238 E HN -0.519 7.475 8.360 -0.599 0.007 0.491 239 E N -3.609 116.408 120.200 -0.306 0.000 2.463 239 E HA 0.106 nan 4.350 nan 0.000 0.193 239 E C -0.748 175.784 176.600 -0.113 0.000 1.041 239 E CA -0.830 55.470 56.400 -0.168 0.000 0.879 239 E CB 0.408 30.012 29.700 -0.160 0.000 0.997 239 E HN -0.759 7.253 8.360 -0.337 0.146 0.478 240 Q N -5.412 114.314 119.800 -0.125 0.000 2.506 240 Q HA -0.356 nan 4.340 nan 0.000 0.268 240 Q C -0.071 175.929 176.000 -0.000 0.000 1.002 240 Q CA 1.268 57.048 55.803 -0.037 0.000 1.052 240 Q CB -2.613 26.129 28.738 0.006 0.000 1.383 240 Q HN -0.236 7.706 8.270 -0.225 0.194 0.537 241 K N -2.003 118.371 120.400 -0.044 0.000 2.498 241 K HA 0.123 nan 4.320 nan 0.000 0.207 241 K C -0.857 175.799 176.600 0.093 0.000 1.033 241 K CA -0.882 55.443 56.287 0.064 0.000 1.138 241 K CB 0.044 32.435 32.500 -0.182 0.000 0.860 241 K HN 0.086 8.137 8.250 -0.134 0.118 0.490 242 G N -1.301 107.498 108.800 -0.001 0.000 2.365 242 G HA2 -0.053 nan 3.960 nan 0.000 0.249 242 G HA3 -0.053 nan 3.960 nan 0.000 0.249 242 G C -0.131 174.828 174.900 0.099 0.000 1.288 242 G CA -0.325 44.772 45.100 -0.005 0.000 0.887 242 G HN -0.566 7.633 8.290 -0.029 0.073 0.524 243 L N 5.839 127.151 121.223 0.148 0.000 2.005 243 L HA -0.048 nan 4.340 nan 0.000 0.207 243 L C -0.180 176.698 176.870 0.015 0.000 1.072 243 L CA 2.082 56.953 54.840 0.051 0.000 0.744 243 L CB 0.936 42.985 42.059 -0.018 0.000 0.895 243 L HN 0.365 8.719 8.230 0.207 0.000 0.433 244 I N -8.153 112.481 120.570 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 1.889 39.988 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 4.905 124.802 119.800 0.162 0.000 2.096 245 Q HA -0.444 nan 4.340 nan 0.000 0.208 245 Q C 1.545 177.655 176.000 0.183 0.000 0.993 245 Q CA 3.879 59.790 55.803 0.180 0.000 0.862 245 Q CB -0.242 28.669 28.738 0.289 0.000 0.915 245 Q HN 0.760 9.139 8.270 0.181 0.000 0.416 246 S N -2.355 113.460 115.700 0.191 0.000 2.442 246 S HA -0.302 nan 4.470 nan 0.000 0.236 246 S C 2.072 176.790 174.600 0.197 0.000 1.007 246 S CA 2.697 61.007 58.200 0.184 0.000 0.965 246 S CB -0.459 62.834 63.200 0.155 0.000 0.773 246 S HN -0.399 8.024 8.310 0.187 0.000 0.504 247 D N 2.160 122.698 120.400 0.229 0.000 2.085 247 D HA -0.091 nan 4.640 nan 0.000 0.199 247 D C 2.290 178.668 176.300 0.129 0.000 0.981 247 D CA 2.657 56.807 54.000 0.250 0.000 0.834 247 D CB -0.052 40.922 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 0.261 120.121 119.800 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 2.527 58.377 55.803 0.079 0.000 0.858 248 Q CB -0.262 28.505 28.738 0.048 0.000 0.907 248 Q HN -0.448 7.890 8.270 0.114 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 2.777 179.445 176.600 0.113 0.000 0.990 249 E CA 2.650 59.122 56.400 0.119 0.000 0.821 249 E CB -0.368 29.411 29.700 0.131 0.000 0.750 249 E HN -0.220 8.200 8.360 0.132 0.019 0.477 250 L N -1.776 119.528 121.223 0.134 0.000 2.265 250 L HA -0.309 nan 4.340 nan 0.000 0.215 250 L C 1.331 178.301 176.870 0.167 0.000 1.117 250 L CA 2.652 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 -0.460 7.825 8.230 0.141 0.031 0.441 251 F N -0.922 119.029 119.950 0.002 0.000 2.637 251 F HA 0.027 nan 4.527 nan 0.000 0.284 251 F C 0.629 176.422 175.800 -0.012 0.000 1.105 251 F CA 2.038 60.029 58.000 -0.015 0.000 1.356 251 F CB 1.734 40.714 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 -1.134 114.626 115.700 0.101 0.000 2.524 252 S HA 0.033 nan 4.470 nan 0.000 0.215 252 S C -0.663 173.931 174.600 -0.010 0.000 0.986 252 S CA 0.676 58.885 58.200 0.015 0.000 0.911 252 S CB 0.524 63.779 63.200 0.091 0.000 0.805 252 S HN -0.078 8.338 8.310 0.178 0.000 0.501 253 S N 2.726 118.430 115.700 0.006 0.000 2.576 253 S HA 0.244 nan 4.470 nan 0.000 0.276 253 S C -0.354 174.234 174.600 -0.019 0.000 1.339 253 S CA -2.300 55.909 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 -0.015 177.272 177.300 -0.021 0.000 1.147 254 P CA 1.937 65.025 63.100 -0.019 0.000 0.790 254 P CB 0.153 31.853 31.700 -0.001 0.000 0.780 255 N N -3.173 115.522 118.700 -0.008 0.000 2.336 255 N HA -0.026 nan 4.740 nan 0.000 0.189 255 N C 0.594 176.094 175.510 -0.016 0.000 1.113 255 N CA -0.264 52.782 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 -0.421 7.914 8.380 0.004 0.047 0.471 256 A N 0.681 123.482 122.820 -0.032 0.000 2.281 256 A HA 0.181 nan 4.320 nan 0.000 0.231 256 A C 0.165 177.706 177.584 -0.072 0.000 1.317 256 A CA 0.605 52.614 52.037 -0.047 0.000 0.959 256 A CB -1.521 17.441 19.000 -0.064 0.000 0.900 256 A HN -0.075 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 4.122 66.185 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 -2.499 117.876 120.400 -0.043 0.000 2.348 258 D HA 0.012 nan 4.640 nan 0.000 0.211 258 D C 1.395 177.665 176.300 -0.050 0.000 0.998 258 D CA 1.382 55.358 54.000 -0.041 0.000 0.873 258 D CB -0.465 40.320 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 -4.301 110.226 114.554 -0.046 0.000 3.039 259 T HA 0.066 nan 4.350 nan 0.000 0.250 259 T C 1.697 176.369 174.700 -0.045 0.000 1.052 259 T CA 1.419 63.495 62.100 -0.040 0.000 1.125 259 T CB 0.868 69.736 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 2.155 122.692 120.570 -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 35.365 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 -0.183 nan 4.420 nan 0.000 0.216 261 P C 1.696 178.875 177.300 -0.201 0.000 1.153 261 P CA 3.099 66.137 63.100 -0.103 0.000 0.848 261 P CB -0.669 30.976 31.700 -0.093 0.000 0.787 262 L N -2.656 118.392 121.223 -0.293 0.000 2.046 262 L HA -0.316 nan 4.340 nan 0.000 0.208 262 L C 2.415 178.791 176.870 -0.824 0.000 1.077 262 L CA 3.158 57.602 54.840 -0.659 0.000 0.747 262 L CB -0.446 41.251 42.059 -0.603 0.000 0.896 262 L HN -0.856 7.247 8.230 -0.211 0.000 0.432 263 V N -0.526 119.174 119.914 -0.357 0.000 2.287 263 V HA -0.552 nan 4.120 nan 0.000 0.248 263 V C 2.442 178.452 176.094 -0.140 0.000 1.053 263 V CA 4.499 66.716 62.300 -0.139 0.000 1.027 263 V CB -1.047 30.884 31.823 0.179 0.000 0.646 263 V HN 0.270 8.340 8.190 -0.200 0.000 0.447 264 R N -2.103 118.357 120.500 -0.065 0.000 2.073 264 R HA -0.396 nan 4.340 nan 0.000 0.234 264 R C 2.420 178.666 176.300 -0.091 0.000 1.134 264 R CA 3.437 59.518 56.100 -0.032 0.000 0.952 264 R CB -0.293 30.020 30.300 0.021 0.000 0.850 264 R HN 0.167 8.418 8.270 -0.032 0.000 0.433 265 S N -0.217 115.380 115.700 -0.170 0.000 2.359 265 S HA -0.269 nan 4.470 nan 0.000 0.224 265 S C 2.276 176.878 174.600 0.003 0.000 1.035 265 S CA 3.657 61.784 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 0.121 8.186 8.310 -0.225 0.109 0.448 266 F N -0.506 119.296 119.950 -0.248 0.000 2.259 266 F HA -0.141 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 -0.400 0.000 1.358 266 F CB -0.863 37.489 39.000 -1.080 0.000 1.040 266 F HN 0.261 8.268 8.300 -0.487 0.000 0.505 267 A N -1.262 121.535 122.820 -0.038 0.000 2.015 267 A HA -0.184 nan 4.320 nan 0.000 0.219 267 A C 0.999 178.579 177.584 -0.008 0.000 1.163 267 A CA 2.019 54.062 52.037 0.009 0.000 0.646 267 A CB -0.202 18.794 19.000 -0.007 0.000 0.806 267 A HN -0.164 7.832 8.150 -0.086 0.103 0.448 268 N N -3.052 115.644 118.700 -0.007 0.000 2.446 268 N HA -0.041 nan 4.740 nan 0.000 0.179 268 N C -0.483 175.023 175.510 -0.007 0.000 1.054 268 N CA 1.203 54.248 53.050 -0.009 0.000 0.905 268 N CB 1.072 39.554 38.487 -0.007 0.000 0.973 268 N HN -0.479 7.776 8.380 -0.007 0.120 0.448 269 S N -0.820 114.885 115.700 0.009 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 56.825 58.200 -0.011 0.000 1.051 269 S CB 1.085 64.293 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 9.792 124.269 114.554 -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 4.478 66.387 62.100 -0.318 0.000 1.140 270 T CB -0.305 68.304 68.868 -0.431 0.000 0.864 270 T HN 0.713 8.884 8.240 -0.116 0.000 0.455 271 Q N 0.542 120.185 119.800 -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 3.323 59.031 55.803 -0.159 0.000 0.844 271 Q CB -0.807 27.886 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 3.450 117.995 114.554 -0.015 0.000 2.746 272 T HA -0.307 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 -0.712 68.242 68.868 0.145 0.000 0.866 272 T HN -0.669 7.561 8.240 -0.017 0.000 0.444 273 F N 3.299 123.102 119.950 -0.244 0.000 2.075 273 F HA -0.399 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 1.406 59.090 58.000 -0.528 0.000 1.218 273 F CB -0.135 38.664 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 -1.379 118.238 119.950 -0.554 0.000 2.126 274 F HA -0.493 nan 4.527 nan 0.000 0.299 274 F C 2.389 177.953 175.800 -0.392 0.000 1.096 274 F CA 1.963 59.637 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 0.309 8.544 8.300 -0.107 0.000 0.479 275 N N -0.776 117.881 118.700 -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 3.136 56.117 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 0.061 8.426 8.380 -0.025 0.000 0.424 276 A N 0.567 123.286 122.820 -0.167 0.000 1.877 276 A HA -0.233 nan 4.320 nan 0.000 0.216 276 A C 1.962 179.440 177.584 -0.176 0.000 1.186 276 A CA 2.965 54.915 52.037 -0.145 0.000 0.620 276 A CB -0.718 18.137 19.000 -0.241 0.000 0.822 276 A HN -0.255 7.715 8.150 -0.181 0.071 0.443 277 F N -0.231 119.470 119.950 -0.414 0.000 2.069 277 F HA -0.473 nan 4.527 nan 0.000 0.298 277 F C 1.722 177.257 175.800 -0.442 0.000 1.113 277 F CA 3.927 61.697 58.000 -0.382 0.000 1.214 277 F CB 0.236 38.883 39.000 -0.588 0.000 0.978 277 F HN 0.331 8.363 8.300 -0.267 0.107 0.474 278 V N -1.239 118.333 119.914 -0.570 0.000 2.332 278 V HA -0.577 nan 4.120 nan 0.000 0.248 278 V C 1.845 177.563 176.094 -0.628 0.000 1.055 278 V CA 4.655 66.381 62.300 -0.956 0.000 1.038 278 V CB -1.002 30.210 31.823 -1.020 0.000 0.651 278 V HN 0.251 8.198 8.190 -0.405 0.000 0.450 279 E N -0.974 119.002 120.200 -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 59.420 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 -0.322 7.840 8.360 -0.330 0.000 0.458 280 A N 0.141 122.840 122.820 -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 -0.747 18.183 19.000 -0.117 0.000 0.822 280 A HN 0.169 8.172 8.150 -0.244 0.000 0.443 281 M N -1.658 117.727 119.600 -0.358 0.000 2.108 281 M HA -0.404 nan 4.480 nan 0.000 0.261 281 M C 2.330 178.635 176.300 0.007 0.000 1.066 281 M CA 2.849 58.017 55.300 -0.221 0.000 1.107 281 M CB -1.088 31.339 32.600 -0.289 0.000 1.356 281 M HN 0.411 8.368 8.290 -0.556 0.000 0.406 282 D N -1.290 119.101 120.400 -0.015 0.000 2.224 282 D HA -0.180 nan 4.640 nan 0.000 0.205 282 D C 2.311 178.634 176.300 0.038 0.000 0.965 282 D CA 2.820 56.863 54.000 0.071 0.000 0.852 282 D CB -0.433 40.405 40.800 0.063 0.000 0.947 282 D HN -0.214 7.997 8.370 -0.137 0.077 0.494 283 R N -1.633 118.869 120.500 0.003 0.000 2.062 283 R HA -0.175 nan 4.340 nan 0.000 0.229 283 R C 2.599 178.910 176.300 0.018 0.000 1.128 283 R CA 1.994 58.100 56.100 0.009 0.000 0.960 283 R CB -0.172 30.135 30.300 0.011 0.000 0.855 283 R HN -0.421 7.728 8.270 -0.030 0.104 0.432 284 M N 1.200 120.820 119.600 0.033 0.000 2.108 284 M HA -0.251 nan 4.480 nan 0.000 0.261 284 M C 2.074 178.397 176.300 0.038 0.000 1.066 284 M CA 3.427 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 0.349 8.654 8.290 0.025 0.000 0.406 285 G N -3.918 104.938 108.800 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 0.337 175.275 174.900 0.062 0.000 1.126 285 G CA 1.314 46.494 45.100 0.133 0.000 0.778 285 G HN 0.314 8.670 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 -0.609 174.885 175.510 -0.026 0.000 1.119 286 N CA -0.576 52.474 53.050 0.000 0.000 0.851 286 N CB 1.009 39.496 38.487 -0.000 0.000 0.990 286 N HN -0.474 7.729 8.380 0.026 0.193 0.497 287 I N 1.417 121.963 120.570 -0.041 0.000 2.587 287 I HA -0.157 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 1.024 62.277 61.300 -0.077 0.000 1.410 287 I CB 0.233 38.160 38.000 -0.122 0.000 1.392 287 I HN -0.763 7.371 8.210 -0.029 0.058 0.545 288 T N 2.569 117.077 114.554 -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 -1.095 60.960 62.100 -0.074 0.000 2.987 288 T CB -1.784 67.025 68.868 -0.098 0.000 1.333 288 T HN 0.386 8.579 8.240 -0.079 0.000 0.423 289 P HA 0.120 nan 4.420 nan 0.000 0.276 289 P C -1.788 175.489 177.300 -0.038 0.000 1.244 289 P CA -1.209 61.868 63.100 -0.039 0.000 0.801 289 P CB 1.256 32.931 31.700 -0.042 0.000 1.006 290 L N 0.271 121.477 121.223 -0.029 0.000 2.257 290 L HA 0.312 nan 4.340 nan 0.000 0.290 290 L C -0.663 176.186 176.870 -0.034 0.000 1.044 290 L CA -0.762 54.065 54.840 -0.021 0.000 0.810 290 L CB 0.215 42.272 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 -2.989 111.546 114.554 -0.032 0.000 2.864 291 T HA 0.491 nan 4.350 nan 0.000 0.289 291 T C 0.351 175.046 174.700 -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 72.238 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 -0.327 174.598 174.900 0.042 0.000 1.172 292 G CA 2.140 47.262 45.100 0.037 0.000 0.966 292 G HN 0.558 8.851 8.290 0.005 0.000 0.542 293 T N 1.102 115.674 114.554 0.030 0.000 3.085 293 T HA 0.200 nan 4.350 nan 0.000 0.264 293 T C 0.999 175.715 174.700 0.025 0.000 1.019 293 T CA -0.679 61.440 62.100 0.032 0.000 0.910 293 T CB -0.042 68.843 68.868 0.028 0.000 1.059 293 T HN 0.206 8.460 8.240 0.023 0.000 0.542 294 Q N 2.855 122.666 119.800 0.019 0.000 2.394 294 Q HA 0.024 nan 4.340 nan 0.000 0.248 294 Q C 0.816 176.828 176.000 0.020 0.000 0.992 294 Q CA 0.448 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 0.057 0.462 295 G N 0.014 108.828 108.800 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 -1.572 173.346 174.900 0.030 0.000 1.333 295 G CA 0.037 45.153 45.100 0.027 0.000 0.904 295 G HN 0.234 8.539 8.290 0.024 0.000 0.569 296 Q N -2.706 117.114 119.800 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 -1.822 54.004 55.803 0.038 0.000 0.770 296 Q CB 3.694 32.453 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 0.274 120.874 120.570 0.050 0.000 2.371 297 I HA 0.141 nan 4.170 nan 0.000 0.282 297 I C -0.081 176.061 176.117 0.041 0.000 1.031 297 I CA -1.058 60.275 61.300 0.055 0.000 1.180 297 I CB 0.013 38.059 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 0.226 176.540 176.300 0.023 0.000 1.044 298 R CA 0.327 56.444 56.100 0.028 0.000 1.105 298 R CB 0.750 31.067 30.300 0.028 0.000 0.989 298 R HN -0.224 8.346 8.270 0.036 -0.278 0.447 299 L N 0.324 121.559 121.223 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 1.727 56.575 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 -3.014 115.695 118.700 0.015 0.000 2.352 300 N HA 0.098 nan 4.740 nan 0.000 0.291 300 N C 0.217 175.740 175.510 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 4.580 123.196 118.600 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 2.087 58.438 56.329 0.037 0.000 1.787 301 c CB -0.735 41.807 42.510 0.053 0.000 1.900 301 c HN 0.883 9.129 8.230 0.027 0.000 0.520 302 R N -2.768 117.746 120.500 0.024 0.000 2.240 302 R HA -0.054 nan 4.340 nan 0.000 0.203 302 R C -0.988 175.326 176.300 0.023 0.000 1.011 302 R CA 1.782 57.888 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 -8.163 111.768 119.914 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 -2.084 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 1.314 121.271 119.914 0.072 0.000 2.715 304 V HA -0.017 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 6.131 124.850 118.700 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 0.901 53.965 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 0.617 9.439 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