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 1k75_1_B DATA FIRST_RESID 4 DATA SEQUENCE NTIIDWNSCT AEQQRQLLXR PAISASESIT RTVNDILDNV KARGDEALRE DATA SEQUENCE YSAKFDKTTV TALKVSAEEI AAASERLSDE LKQAXAVAVK NIETFHTAQK DATA SEQUENCE LPPVDVETQP GVRCQQVTRP VASVGLYIPG GSAPLFSTVL XLATPASIAG DATA SEQUENCE CKKVVLCSPP PIADEILYAA QLCGVQDVFN VGGAQAIAAL AFGTESVPKV DATA SEQUENCE DKIFGPGNAF VTEAKRQVSQ RLDGAAIDXP AGPSEVLVIA DSGATPDFVA DATA SEQUENCE SDLLSQAEHG PDSQVILLTP AADXARRVAE AVERQLAELP RAETARQALN DATA SEQUENCE ASRLIVTKDL AQCVEISNQY GPEHLIIQTR NARELVDSIT SAGSVFLGDW DATA SEQUENCE SPESAGDYAS GTNHVLPTYG YTATCSSLGL ADFQKRXTVQ ELSKEGFSAL DATA SEQUENCE ASTIETLAAA ERLTAHKNAV TLRVNALKEQ A 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.512 175.510 0.004 0.000 1.280 4 N CA 0.000 53.053 53.050 0.004 0.000 0.885 4 N CB 0.000 38.489 38.487 0.003 0.000 1.341 5 T N -1.210 113.347 114.554 0.005 0.000 2.213 5 T HA 0.487 4.837 4.350 0.000 0.000 0.184 5 T C -0.232 174.472 174.700 0.007 0.000 0.716 5 T CA -0.470 61.633 62.100 0.004 0.000 1.296 5 T CB 0.427 69.296 68.868 0.002 0.000 2.422 5 T HN -0.053 nan 8.240 nan 0.000 0.446 6 I N 2.641 123.215 120.570 0.008 0.000 2.452 6 I HA 0.340 4.510 4.170 0.000 0.000 0.287 6 I C -0.135 175.996 176.117 0.023 0.000 1.079 6 I CA -1.021 60.286 61.300 0.013 0.000 1.387 6 I CB -0.383 37.623 38.000 0.010 0.000 1.404 6 I HN 0.498 nan 8.210 nan 0.000 0.522 7 I N 5.346 125.938 120.570 0.037 0.000 2.342 7 I HA 0.121 4.291 4.170 0.000 0.000 0.291 7 I C 0.274 176.442 176.117 0.085 0.000 1.010 7 I CA -0.346 60.989 61.300 0.058 0.000 1.308 7 I CB 0.926 38.977 38.000 0.085 0.000 1.400 7 I HN 0.489 nan 8.210 nan 0.000 0.488 8 D N 6.408 126.852 120.400 0.073 0.000 2.380 8 D HA 0.008 4.648 4.640 0.000 0.000 0.230 8 D C 0.835 177.221 176.300 0.144 0.000 1.154 8 D CA -0.315 53.742 54.000 0.094 0.000 0.859 8 D CB 0.750 41.581 40.800 0.052 0.000 1.045 8 D HN 0.537 nan 8.370 nan 0.000 0.495 9 W N 4.557 125.847 121.300 -0.018 0.000 2.302 9 W HA -0.254 4.406 4.660 -0.000 0.000 0.320 9 W C 0.736 177.247 176.519 -0.013 0.000 1.241 9 W CA 0.993 58.328 57.345 -0.017 0.000 1.264 9 W CB -0.010 29.439 29.460 -0.018 0.000 1.154 9 W HN 0.490 nan 8.180 nan 0.000 0.483 10 N N 0.166 118.952 118.700 0.144 0.000 2.512 10 N HA -0.089 4.651 4.740 0.000 0.000 0.183 10 N C 1.577 177.051 175.510 -0.060 0.000 1.073 10 N CA 1.219 54.273 53.050 0.007 0.000 0.911 10 N CB -0.166 38.380 38.487 0.099 0.000 0.964 10 N HN 0.054 nan 8.380 nan 0.000 0.447 11 S N 0.186 115.859 115.700 -0.045 0.000 2.470 11 S HA 0.056 4.526 4.470 0.000 0.000 0.225 11 S C 1.086 175.625 174.600 -0.101 0.000 1.006 11 S CA -0.082 58.086 58.200 -0.054 0.000 0.934 11 S CB 0.253 63.439 63.200 -0.023 0.000 0.778 11 S HN 0.319 nan 8.310 nan 0.000 0.517 12 C N 3.247 122.446 119.300 -0.169 0.000 2.656 12 C HA 0.395 4.855 4.460 0.000 0.000 0.391 12 C C 1.538 176.387 174.990 -0.235 0.000 1.300 12 C CA -0.920 57.968 59.018 -0.216 0.000 2.302 12 C CB 0.063 27.603 27.740 -0.333 0.000 2.655 12 C HN 0.580 nan 8.230 nan 0.000 0.656 13 T N -0.143 114.298 114.554 -0.189 0.000 2.828 13 T HA 0.423 4.773 4.350 0.000 0.000 0.290 13 T C 1.045 175.615 174.700 -0.217 0.000 1.019 13 T CA -0.028 61.973 62.100 -0.164 0.000 1.031 13 T CB 0.917 69.718 68.868 -0.110 0.000 1.001 13 T HN 0.818 nan 8.240 nan 0.000 0.531 14 A N 0.214 122.932 122.820 -0.170 0.000 1.908 14 A HA -0.113 4.207 4.320 0.000 0.000 0.218 14 A C 2.302 179.802 177.584 -0.140 0.000 1.181 14 A CA 1.971 53.910 52.037 -0.163 0.000 0.627 14 A CB -1.157 17.786 19.000 -0.096 0.000 0.818 14 A HN 1.055 nan 8.150 nan 0.000 0.445 15 E N -0.317 119.820 120.200 -0.105 0.000 2.077 15 E HA -0.270 4.080 4.350 0.000 0.000 0.193 15 E C 2.128 178.676 176.600 -0.087 0.000 0.989 15 E CA 1.445 57.800 56.400 -0.076 0.000 0.800 15 E CB -0.212 29.454 29.700 -0.056 0.000 0.746 15 E HN 0.767 nan 8.360 nan 0.000 0.452 16 Q N -0.007 119.722 119.800 -0.119 0.000 2.124 16 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 16 Q C 2.330 178.234 176.000 -0.161 0.000 0.977 16 Q CA 1.602 57.334 55.803 -0.119 0.000 0.850 16 Q CB -0.032 28.627 28.738 -0.132 0.000 0.901 16 Q HN 0.415 nan 8.270 nan 0.000 0.429 17 Q N 0.220 119.833 119.800 -0.312 0.000 2.050 17 Q HA -0.146 4.194 4.340 0.000 0.000 0.202 17 Q C 2.110 178.082 176.000 -0.047 0.000 0.980 17 Q CA 1.122 56.633 55.803 -0.487 0.000 0.840 17 Q CB -0.057 28.168 28.738 -0.855 0.000 0.898 17 Q HN 0.295 nan 8.270 nan 0.000 0.424 18 R N 0.531 121.013 120.500 -0.030 0.000 2.081 18 R HA -0.162 4.178 4.340 0.000 0.000 0.235 18 R C 2.256 178.593 176.300 0.061 0.000 1.131 18 R CA 1.424 57.553 56.100 0.048 0.000 0.960 18 R CB -0.179 30.131 30.300 0.016 0.000 0.856 18 R HN 0.388 nan 8.270 nan 0.000 0.436 19 Q N 0.520 120.335 119.800 0.025 0.000 2.124 19 Q HA -0.096 4.245 4.340 0.000 0.000 0.202 19 Q C 2.160 178.200 176.000 0.066 0.000 0.977 19 Q CA 1.031 56.855 55.803 0.035 0.000 0.850 19 Q CB -0.081 28.663 28.738 0.010 0.000 0.901 19 Q HN 0.342 nan 8.270 nan 0.000 0.429 20 L N 0.315 121.590 121.223 0.087 0.000 2.265 20 L HA -0.090 4.250 4.340 0.000 0.000 0.215 20 L C 1.020 177.958 176.870 0.114 0.000 1.117 20 L CA 0.524 55.436 54.840 0.120 0.000 0.782 20 L CB -0.070 42.124 42.059 0.224 0.000 0.914 20 L HN 0.150 nan 8.230 nan 0.000 0.441 24 P HA 0.149 nan 4.420 nan 0.000 0.265 24 P C -1.196 176.234 177.300 0.216 0.000 1.193 24 P CA -0.092 63.096 63.100 0.147 0.000 0.765 24 P CB 0.750 32.518 31.700 0.113 0.000 0.823 25 A N 3.707 126.614 122.820 0.145 0.000 2.287 25 A HA 0.677 4.997 4.320 0.000 0.000 0.317 25 A C -0.476 177.182 177.584 0.124 0.000 1.220 25 A CA -0.522 51.620 52.037 0.174 0.000 0.835 25 A CB 0.246 19.294 19.000 0.079 0.000 1.180 25 A HN 0.512 nan 8.150 nan 0.000 0.500 26 I N 2.682 123.336 120.570 0.139 0.000 2.548 26 I HA 0.356 4.526 4.170 0.000 0.000 0.287 26 I C 0.277 176.425 176.117 0.052 0.000 1.103 26 I CA -0.339 60.998 61.300 0.061 0.000 1.049 26 I CB 2.354 40.365 38.000 0.018 0.000 1.232 26 I HN 0.770 nan 8.210 nan 0.000 0.429 27 S N 4.621 120.341 115.700 0.034 0.000 2.894 27 S HA 0.921 5.391 4.470 0.000 0.000 0.298 27 S C -0.360 174.236 174.600 -0.007 0.000 1.054 27 S CA -0.678 57.536 58.200 0.023 0.000 0.903 27 S CB 1.856 65.079 63.200 0.038 0.000 1.356 27 S HN 0.695 nan 8.310 nan 0.000 0.626 28 A N 1.265 124.080 122.820 -0.009 0.000 2.340 28 A HA 0.772 5.092 4.320 0.000 0.000 0.331 28 A C 0.244 177.808 177.584 -0.033 0.000 1.140 28 A CA -0.438 51.576 52.037 -0.037 0.000 0.801 28 A CB 0.969 19.944 19.000 -0.043 0.000 1.234 28 A HN 1.389 nan 8.150 nan 0.000 0.469 29 S N 0.489 116.158 115.700 -0.052 0.000 2.580 29 S HA 0.163 4.633 4.470 0.000 0.000 0.274 29 S C 0.771 175.359 174.600 -0.020 0.000 1.329 29 S CA 0.368 58.548 58.200 -0.033 0.000 1.036 29 S CB 1.128 64.305 63.200 -0.039 0.000 0.919 29 S HN 0.842 nan 8.310 nan 0.000 0.515 30 E N 1.608 121.806 120.200 -0.003 0.000 2.153 30 E HA -0.153 4.197 4.350 0.000 0.000 0.194 30 E C 1.970 178.581 176.600 0.018 0.000 0.988 30 E CA 1.183 57.587 56.400 0.008 0.000 0.811 30 E CB -0.285 29.422 29.700 0.012 0.000 0.746 30 E HN 0.764 nan 8.360 nan 0.000 0.466 31 S N 0.292 116.004 115.700 0.020 0.000 2.353 31 S HA -0.177 4.293 4.470 0.000 0.000 0.222 31 S C 1.988 176.625 174.600 0.061 0.000 1.035 31 S CA 1.455 59.681 58.200 0.043 0.000 1.025 31 S CB -0.311 62.915 63.200 0.043 0.000 0.902 31 S HN 0.371 nan 8.310 nan 0.000 0.440 32 I N 0.890 121.471 120.570 0.019 0.000 2.226 32 I HA -0.155 4.015 4.170 0.000 0.000 0.245 32 I C 2.600 178.742 176.117 0.042 0.000 1.100 32 I CA 1.504 62.810 61.300 0.009 0.000 1.374 32 I CB -0.814 37.057 38.000 -0.215 0.000 1.057 32 I HN 0.350 nan 8.210 nan 0.000 0.413 33 T N 0.500 115.061 114.554 0.012 0.000 2.720 33 T HA -0.189 4.161 4.350 0.000 0.000 0.268 33 T C 2.018 176.747 174.700 0.048 0.000 1.037 33 T CA 1.374 63.487 62.100 0.022 0.000 1.144 33 T CB -0.220 68.655 68.868 0.011 0.000 0.864 33 T HN 0.318 nan 8.240 nan 0.000 0.444 34 R N 0.426 120.959 120.500 0.055 0.000 2.070 34 R HA -0.050 4.290 4.340 0.000 0.000 0.233 34 R C 2.858 179.208 176.300 0.084 0.000 1.137 34 R CA 1.671 57.809 56.100 0.062 0.000 0.945 34 R CB -0.806 29.528 30.300 0.058 0.000 0.845 34 R HN 0.275 nan 8.270 nan 0.000 0.430 35 T N 0.772 115.394 114.554 0.113 0.000 2.684 35 T HA -0.128 4.222 4.350 0.000 0.000 0.267 35 T C 1.958 176.731 174.700 0.122 0.000 1.036 35 T CA 1.488 63.671 62.100 0.139 0.000 1.148 35 T CB -0.170 68.829 68.868 0.218 0.000 0.863 35 T HN 0.001 nan 8.240 nan 0.000 0.436 36 V N 2.004 121.998 119.914 0.133 0.000 2.379 36 V HA -0.135 3.985 4.120 0.000 0.000 0.245 36 V C 2.404 178.543 176.094 0.074 0.000 1.044 36 V CA 1.786 64.145 62.300 0.099 0.000 1.036 36 V CB -0.727 31.156 31.823 0.101 0.000 0.664 36 V HN 0.497 nan 8.190 nan 0.000 0.453 37 N N 0.578 119.322 118.700 0.074 0.000 2.120 37 N HA -0.198 4.542 4.740 0.000 0.000 0.188 37 N C 1.471 177.027 175.510 0.077 0.000 1.024 37 N CA 1.794 54.887 53.050 0.072 0.000 0.852 37 N CB -0.191 38.330 38.487 0.057 0.000 1.003 37 N HN 0.423 nan 8.380 nan 0.000 0.424 38 D N 0.006 120.455 120.400 0.081 0.000 2.117 38 D HA -0.080 4.560 4.640 0.000 0.000 0.198 38 D C 1.978 178.356 176.300 0.129 0.000 0.982 38 D CA 0.756 54.813 54.000 0.094 0.000 0.828 38 D CB -0.195 40.668 40.800 0.104 0.000 0.967 38 D HN 0.419 nan 8.370 nan 0.000 0.464 39 I N 0.259 120.895 120.570 0.109 0.000 2.179 39 I HA -0.260 3.910 4.170 0.000 0.000 0.242 39 I C 2.122 178.302 176.117 0.106 0.000 1.088 39 I CA 0.575 61.914 61.300 0.065 0.000 1.357 39 I CB -0.078 37.823 38.000 -0.166 0.000 1.051 39 I HN -0.023 nan 8.210 nan 0.000 0.409 40 L N 0.405 121.704 121.223 0.126 0.000 2.017 40 L HA -0.260 4.080 4.340 0.000 0.000 0.208 40 L C 2.112 179.070 176.870 0.146 0.000 1.073 40 L CA 1.894 56.899 54.840 0.274 0.000 0.745 40 L CB -0.943 41.309 42.059 0.323 0.000 0.894 40 L HN 0.225 nan 8.230 nan 0.000 0.432 41 D N -1.114 119.318 120.400 0.053 0.000 2.117 41 D HA -0.205 4.435 4.640 0.000 0.000 0.197 41 D C 1.984 178.263 176.300 -0.034 0.000 0.987 41 D CA 1.188 55.157 54.000 -0.053 0.000 0.829 41 D CB -0.303 40.484 40.800 -0.021 0.000 0.961 41 D HN 0.457 nan 8.370 nan 0.000 0.460 42 N N 0.287 119.025 118.700 0.063 0.000 2.142 42 N HA -0.125 4.615 4.740 0.000 0.000 0.186 42 N C 1.815 177.385 175.510 0.100 0.000 1.023 42 N CA 0.713 53.818 53.050 0.091 0.000 0.852 42 N CB 0.234 38.835 38.487 0.190 0.000 0.998 42 N HN -0.079 nan 8.380 nan 0.000 0.424 43 V N 1.563 121.572 119.914 0.158 0.000 2.343 43 V HA -0.198 3.922 4.120 0.000 0.000 0.247 43 V C 2.432 178.568 176.094 0.069 0.000 1.051 43 V CA 1.549 63.945 62.300 0.162 0.000 1.036 43 V CB -0.528 31.429 31.823 0.222 0.000 0.654 43 V HN 0.360 nan 8.190 nan 0.000 0.451 44 K N 0.138 120.487 120.400 -0.084 0.000 2.097 44 K HA -0.129 4.191 4.320 0.000 0.000 0.205 44 K C 2.118 178.625 176.600 -0.156 0.000 1.050 44 K CA 1.461 57.581 56.287 -0.278 0.000 0.938 44 K CB -0.208 31.757 32.500 -0.893 0.000 0.718 44 K HN 0.435 nan 8.250 nan 0.000 0.442 45 A N 0.995 123.744 122.820 -0.118 0.000 1.930 45 A HA -0.029 4.291 4.320 0.000 0.000 0.215 45 A C 1.711 179.274 177.584 -0.036 0.000 1.176 45 A CA 0.987 52.979 52.037 -0.074 0.000 0.632 45 A CB -0.062 18.901 19.000 -0.062 0.000 0.819 45 A HN 0.285 nan 8.150 nan 0.000 0.445 46 R N -1.471 119.022 120.500 -0.013 0.000 2.476 46 R HA 0.305 4.645 4.340 0.000 0.000 0.276 46 R C 1.274 177.583 176.300 0.015 0.000 0.941 46 R CA 0.313 56.412 56.100 -0.002 0.000 1.088 46 R CB 0.352 30.647 30.300 -0.009 0.000 1.216 46 R HN 0.558 nan 8.270 nan 0.000 0.533 47 G N 2.221 111.039 108.800 0.029 0.000 2.652 47 G HA2 -0.417 3.543 3.960 0.000 0.000 0.318 47 G HA3 -0.417 3.543 3.960 0.000 0.000 0.318 47 G C 0.409 175.338 174.900 0.047 0.000 1.295 47 G CA 0.834 45.957 45.100 0.039 0.000 0.999 47 G HN 0.270 nan 8.290 nan 0.000 0.548 48 D N 0.313 120.733 120.400 0.034 0.000 2.182 48 D HA -0.043 4.597 4.640 0.000 0.000 0.201 48 D C 2.156 178.480 176.300 0.039 0.000 0.986 48 D CA 1.538 55.562 54.000 0.040 0.000 0.847 48 D CB -0.319 40.502 40.800 0.034 0.000 0.942 48 D HN 0.665 nan 8.370 nan 0.000 0.467 49 E N 0.215 120.428 120.200 0.021 0.000 2.058 49 E HA -0.180 4.170 4.350 0.000 0.000 0.194 49 E C 1.997 178.589 176.600 -0.013 0.000 0.997 49 E CA 1.162 57.563 56.400 0.001 0.000 0.801 49 E CB 0.009 29.702 29.700 -0.011 0.000 0.746 49 E HN 0.211 nan 8.360 nan 0.000 0.450 50 A N 0.766 123.588 122.820 0.004 0.000 1.902 50 A HA -0.149 4.171 4.320 0.000 0.000 0.217 50 A C 2.179 179.816 177.584 0.088 0.000 1.181 50 A CA 1.103 53.130 52.037 -0.016 0.000 0.623 50 A CB -0.655 18.399 19.000 0.091 0.000 0.818 50 A HN 0.280 nan 8.150 nan 0.000 0.443 51 L N -0.986 120.342 121.223 0.175 0.000 2.042 51 L HA -0.213 4.127 4.340 0.000 0.000 0.210 51 L C 2.861 179.835 176.870 0.175 0.000 1.076 51 L CA 1.528 56.510 54.840 0.237 0.000 0.749 51 L CB -0.551 41.598 42.059 0.150 0.000 0.893 51 L HN 0.362 nan 8.230 nan 0.000 0.432 52 R N 0.037 120.589 120.500 0.086 0.000 2.115 52 R HA -0.130 4.210 4.340 0.000 0.000 0.230 52 R C 2.116 178.423 176.300 0.010 0.000 1.111 52 R CA 1.114 57.247 56.100 0.055 0.000 0.976 52 R CB -0.219 30.100 30.300 0.031 0.000 0.870 52 R HN 0.518 nan 8.270 nan 0.000 0.445 53 E N -0.185 119.977 120.200 -0.064 0.000 2.072 53 E HA -0.187 4.163 4.350 0.000 0.000 0.191 53 E C 1.707 178.195 176.600 -0.186 0.000 0.985 53 E CA 1.195 57.493 56.400 -0.170 0.000 0.801 53 E CB -0.141 29.389 29.700 -0.284 0.000 0.750 53 E HN 0.315 nan 8.360 nan 0.000 0.452 54 Y N 0.922 121.229 120.300 0.013 0.000 2.128 54 Y HA -0.250 4.300 4.550 0.000 0.000 0.284 54 Y C 2.894 178.850 175.900 0.093 0.000 1.154 54 Y CA 1.396 59.534 58.100 0.065 0.000 1.149 54 Y CB -0.859 37.710 38.460 0.182 0.000 0.976 54 Y HN -0.003 nan 8.280 nan 0.000 0.505 55 S N -0.209 115.647 115.700 0.259 0.000 2.370 55 S HA -0.270 4.200 4.470 0.000 0.000 0.226 55 S C 2.332 176.989 174.600 0.095 0.000 1.033 55 S CA 1.329 59.650 58.200 0.202 0.000 1.011 55 S CB -0.658 62.631 63.200 0.148 0.000 0.852 55 S HN 0.460 nan 8.310 nan 0.000 0.457 56 A N 1.024 123.853 122.820 0.015 0.000 1.940 56 A HA -0.138 4.182 4.320 0.000 0.000 0.219 56 A C 2.151 179.676 177.584 -0.100 0.000 1.176 56 A CA 2.000 54.015 52.037 -0.036 0.000 0.631 56 A CB -0.671 18.293 19.000 -0.059 0.000 0.814 56 A HN 0.668 nan 8.150 nan 0.000 0.446 57 K N -1.795 118.468 120.400 -0.228 0.000 2.155 57 K HA -0.012 4.308 4.320 0.000 0.000 0.203 57 K C 1.362 177.691 176.600 -0.452 0.000 1.052 57 K CA 1.380 57.407 56.287 -0.434 0.000 0.948 57 K CB -0.170 31.898 32.500 -0.720 0.000 0.728 57 K HN 0.522 nan 8.250 nan 0.000 0.448 58 F N 0.685 120.658 119.950 0.039 0.000 2.419 58 F HA 0.117 4.644 4.527 0.000 0.000 0.283 58 F C 0.690 176.507 175.800 0.028 0.000 1.044 58 F CA -0.736 57.282 58.000 0.029 0.000 1.376 58 F CB 0.008 39.025 39.000 0.028 0.000 1.131 58 F HN -0.147 nan 8.300 nan 0.000 0.585 59 D N 1.300 121.828 120.400 0.214 0.000 2.362 59 D HA 0.069 4.709 4.640 0.000 0.000 0.242 59 D C 0.860 177.209 176.300 0.081 0.000 1.132 59 D CA 0.011 54.090 54.000 0.132 0.000 0.907 59 D CB 0.997 41.867 40.800 0.116 0.000 1.195 59 D HN 0.150 nan 8.370 nan 0.000 0.429 60 K N -0.121 120.318 120.400 0.066 0.000 2.057 60 K HA -0.020 4.300 4.320 0.000 0.000 0.206 60 K C 0.534 177.156 176.600 0.036 0.000 1.050 60 K CA 0.856 57.170 56.287 0.045 0.000 0.935 60 K CB 0.103 32.627 32.500 0.040 0.000 0.715 60 K HN 0.269 nan 8.250 nan 0.000 0.439 61 T N 1.850 116.429 114.554 0.042 0.000 2.815 61 T HA 0.159 4.509 4.350 0.000 0.000 0.289 61 T C -0.632 174.094 174.700 0.044 0.000 1.000 61 T CA -0.570 61.551 62.100 0.035 0.000 0.958 61 T CB 1.657 70.544 68.868 0.032 0.000 0.944 61 T HN 0.004 nan 8.240 nan 0.000 0.442 62 T N 2.893 117.469 114.554 0.036 0.000 2.933 62 T HA 0.065 4.415 4.350 0.000 0.000 0.306 62 T C 0.860 175.590 174.700 0.050 0.000 1.045 62 T CA -0.102 62.023 62.100 0.042 0.000 1.143 62 T CB 0.528 69.411 68.868 0.024 0.000 1.003 62 T HN 0.469 nan 8.240 nan 0.000 0.540 63 V N 4.339 124.293 119.914 0.066 0.000 2.872 63 V HA 0.191 4.311 4.120 0.000 0.000 0.307 63 V C 1.230 177.359 176.094 0.059 0.000 1.072 63 V CA 1.266 63.608 62.300 0.070 0.000 1.148 63 V CB 0.997 32.875 31.823 0.092 0.000 0.954 63 V HN 1.217 nan 8.190 nan 0.000 0.490 64 T N 3.789 118.377 114.554 0.056 0.000 3.556 64 T HA 0.473 4.823 4.350 0.000 0.000 0.204 64 T C 0.745 175.481 174.700 0.060 0.000 0.896 64 T CA 0.319 62.448 62.100 0.049 0.000 1.380 64 T CB -0.332 68.559 68.868 0.038 0.000 1.584 64 T HN 1.285 nan 8.240 nan 0.000 0.411 65 A N 1.570 124.425 122.820 0.058 0.000 2.451 65 A HA 0.579 4.899 4.320 0.000 0.000 0.266 65 A C 1.210 178.854 177.584 0.100 0.000 1.119 65 A CA -0.433 51.646 52.037 0.070 0.000 0.786 65 A CB -0.484 18.547 19.000 0.052 0.000 1.061 65 A HN 0.664 nan 8.150 nan 0.000 0.503 66 L N 1.646 122.954 121.223 0.142 0.000 2.156 66 L HA 0.011 4.351 4.340 0.000 0.000 0.208 66 L C 1.504 178.550 176.870 0.294 0.000 1.095 66 L CA 1.017 55.989 54.840 0.220 0.000 0.770 66 L CB -0.141 42.057 42.059 0.232 0.000 0.914 66 L HN 0.733 nan 8.230 nan 0.000 0.439 67 K N 0.636 121.159 120.400 0.204 0.000 2.201 67 K HA 0.313 4.633 4.320 0.000 0.000 0.278 67 K C -0.683 175.883 176.600 -0.057 0.000 1.027 67 K CA -0.478 55.804 56.287 -0.008 0.000 0.909 67 K CB 1.483 33.967 32.500 -0.028 0.000 1.062 67 K HN -0.256 nan 8.250 nan 0.000 0.465 68 V N 4.070 123.904 119.914 -0.134 0.000 2.555 68 V HA 0.030 4.150 4.120 0.000 0.000 0.286 68 V C 0.391 176.435 176.094 -0.083 0.000 1.044 68 V CA -0.315 61.937 62.300 -0.080 0.000 1.026 68 V CB 1.007 32.780 31.823 -0.084 0.000 0.981 68 V HN 0.988 nan 8.190 nan 0.000 0.480 69 S N 4.276 119.950 115.700 -0.044 0.000 2.632 69 S HA 0.514 4.984 4.470 0.000 0.000 0.267 69 S C 1.291 175.869 174.600 -0.038 0.000 1.276 69 S CA -0.059 58.118 58.200 -0.037 0.000 0.998 69 S CB 1.574 64.764 63.200 -0.017 0.000 0.953 69 S HN 1.008 nan 8.310 nan 0.000 0.547 70 A N 1.000 123.800 122.820 -0.034 0.000 1.940 70 A HA -0.099 4.221 4.320 0.000 0.000 0.219 70 A C 2.104 179.677 177.584 -0.018 0.000 1.176 70 A CA 1.681 53.700 52.037 -0.029 0.000 0.631 70 A CB -1.107 17.878 19.000 -0.025 0.000 0.814 70 A HN 0.963 nan 8.150 nan 0.000 0.446 71 E N -0.378 119.814 120.200 -0.013 0.000 2.051 71 E HA -0.219 4.131 4.350 0.000 0.000 0.192 71 E C 2.040 178.637 176.600 -0.005 0.000 0.991 71 E CA 1.482 57.878 56.400 -0.007 0.000 0.799 71 E CB -0.196 29.502 29.700 -0.005 0.000 0.748 71 E HN 0.754 nan 8.360 nan 0.000 0.449 72 E N 0.455 120.650 120.200 -0.008 0.000 2.110 72 E HA -0.179 4.171 4.350 0.000 0.000 0.193 72 E C 2.137 178.735 176.600 -0.003 0.000 0.988 72 E CA 0.805 57.202 56.400 -0.005 0.000 0.804 72 E CB -0.087 29.609 29.700 -0.006 0.000 0.745 72 E HN 0.284 nan 8.360 nan 0.000 0.458 73 I N 1.060 121.625 120.570 -0.008 0.000 2.252 73 I HA -0.261 3.909 4.170 0.000 0.000 0.245 73 I C 2.520 178.648 176.117 0.019 0.000 1.102 73 I CA 0.897 62.196 61.300 -0.001 0.000 1.385 73 I CB -0.246 37.740 38.000 -0.022 0.000 1.064 73 I HN 0.092 nan 8.210 nan 0.000 0.414 74 A N 0.672 123.499 122.820 0.011 0.000 1.902 74 A HA -0.153 4.167 4.320 0.000 0.000 0.217 74 A C 2.533 180.126 177.584 0.015 0.000 1.181 74 A CA 1.797 53.845 52.037 0.018 0.000 0.623 74 A CB -0.849 18.155 19.000 0.007 0.000 0.818 74 A HN 0.420 nan 8.150 nan 0.000 0.443 75 A N -0.210 122.613 122.820 0.006 0.000 1.933 75 A HA 0.174 4.494 4.320 0.000 0.000 0.218 75 A C 2.472 180.054 177.584 -0.004 0.000 1.175 75 A CA 2.026 54.062 52.037 -0.001 0.000 0.628 75 A CB -0.915 18.083 19.000 -0.002 0.000 0.814 75 A HN 1.014 nan 8.150 nan 0.000 0.444 76 A N -0.435 122.388 122.820 0.005 0.000 1.898 76 A HA -0.051 4.269 4.320 0.000 0.000 0.216 76 A C 2.430 180.012 177.584 -0.004 0.000 1.181 76 A CA 1.992 54.031 52.037 0.003 0.000 0.620 76 A CB -0.870 18.141 19.000 0.019 0.000 0.819 76 A HN 0.459 nan 8.150 nan 0.000 0.442 77 S N -0.274 115.451 115.700 0.040 0.000 2.382 77 S HA -0.163 4.307 4.470 0.000 0.000 0.228 77 S C 1.938 176.490 174.600 -0.080 0.000 1.027 77 S CA 1.256 59.478 58.200 0.036 0.000 0.991 77 S CB -0.294 63.030 63.200 0.207 0.000 0.823 77 S HN 0.647 nan 8.310 nan 0.000 0.469 78 E N 1.660 121.836 120.200 -0.040 0.000 2.204 78 E HA -0.106 4.244 4.350 0.000 0.000 0.195 78 E C 1.898 178.454 176.600 -0.073 0.000 0.990 78 E CA 0.836 57.204 56.400 -0.053 0.000 0.821 78 E CB -0.067 29.616 29.700 -0.028 0.000 0.750 78 E HN 0.458 nan 8.360 nan 0.000 0.477 79 R N -0.281 120.176 120.500 -0.073 0.000 2.193 79 R HA 0.132 4.472 4.340 0.000 0.000 0.213 79 R C 0.962 177.197 176.300 -0.108 0.000 1.055 79 R CA 0.023 56.078 56.100 -0.074 0.000 0.995 79 R CB 0.061 30.328 30.300 -0.054 0.000 0.893 79 R HN 0.121 nan 8.270 nan 0.000 0.459 80 L N 1.757 122.881 121.223 -0.165 0.000 2.452 80 L HA 0.053 4.393 4.340 0.000 0.000 0.267 80 L C 0.837 177.584 176.870 -0.206 0.000 1.188 80 L CA -0.272 54.434 54.840 -0.223 0.000 0.821 80 L CB 0.857 42.689 42.059 -0.379 0.000 1.102 80 L HN 0.150 nan 8.230 nan 0.000 0.470 81 S N -0.192 115.400 115.700 -0.179 0.000 2.592 81 S HA 0.073 4.543 4.470 0.000 0.000 0.271 81 S C 0.528 175.032 174.600 -0.160 0.000 1.326 81 S CA -0.802 57.314 58.200 -0.140 0.000 1.024 81 S CB 1.307 64.445 63.200 -0.104 0.000 0.921 81 S HN 0.562 nan 8.310 nan 0.000 0.527 82 D N 0.883 121.212 120.400 -0.117 0.000 2.144 82 D HA -0.123 4.517 4.640 0.000 0.000 0.199 82 D C 1.740 177.986 176.300 -0.091 0.000 0.984 82 D CA 1.465 55.403 54.000 -0.104 0.000 0.834 82 D CB -0.322 40.438 40.800 -0.067 0.000 0.955 82 D HN 0.884 nan 8.370 nan 0.000 0.465 83 E N 0.118 120.272 120.200 -0.078 0.000 2.038 83 E HA -0.199 4.151 4.350 0.000 0.000 0.195 83 E C 2.093 178.651 176.600 -0.070 0.000 1.000 83 E CA 0.699 57.063 56.400 -0.060 0.000 0.803 83 E CB -0.102 29.566 29.700 -0.052 0.000 0.750 83 E HN 0.097 nan 8.360 nan 0.000 0.448 84 L N 1.475 122.634 121.223 -0.105 0.000 2.046 84 L HA -0.155 4.185 4.340 0.000 0.000 0.208 84 L C 2.058 178.846 176.870 -0.137 0.000 1.077 84 L CA 1.874 56.637 54.840 -0.128 0.000 0.747 84 L CB -0.344 41.599 42.059 -0.194 0.000 0.896 84 L HN 0.012 nan 8.230 nan 0.000 0.432 85 K N -0.942 119.339 120.400 -0.197 0.000 2.057 85 K HA -0.197 4.123 4.320 0.000 0.000 0.207 85 K C 2.096 178.699 176.600 0.005 0.000 1.049 85 K CA 1.771 57.963 56.287 -0.158 0.000 0.931 85 K CB -0.213 32.111 32.500 -0.294 0.000 0.714 85 K HN 0.493 nan 8.250 nan 0.000 0.440 86 Q N 0.547 120.336 119.800 -0.018 0.000 2.119 86 Q HA -0.044 4.296 4.340 0.000 0.000 0.201 86 Q C 0.956 176.974 176.000 0.029 0.000 0.972 86 Q CA 0.828 56.638 55.803 0.011 0.000 0.847 86 Q CB -0.119 28.615 28.738 -0.006 0.000 0.903 86 Q HN 0.281 nan 8.270 nan 0.000 0.433 90 V N 1.342 121.293 119.914 0.061 0.000 2.295 90 V HA -0.179 3.941 4.120 0.000 0.000 0.246 90 V C 3.033 179.169 176.094 0.070 0.000 1.049 90 V CA 2.724 65.058 62.300 0.057 0.000 1.024 90 V CB -1.105 30.749 31.823 0.052 0.000 0.648 90 V HN 0.738 nan 8.190 nan 0.000 0.447 91 A N -0.243 122.633 122.820 0.093 0.000 1.865 91 A HA -0.185 4.135 4.320 0.000 0.000 0.217 91 A C 2.390 180.022 177.584 0.080 0.000 1.191 91 A CA 2.231 54.333 52.037 0.108 0.000 0.623 91 A CB -0.816 18.279 19.000 0.160 0.000 0.826 91 A HN 0.329 nan 8.150 nan 0.000 0.444 92 V N 0.365 120.317 119.914 0.064 0.000 2.407 92 V HA -0.278 3.842 4.120 0.000 0.000 0.248 92 V C 2.552 178.662 176.094 0.027 0.000 1.055 92 V CA 2.405 64.721 62.300 0.026 0.000 1.049 92 V CB -0.672 31.154 31.823 0.005 0.000 0.662 92 V HN 0.705 nan 8.190 nan 0.000 0.455 93 K N 0.209 120.631 120.400 0.037 0.000 2.057 93 K HA -0.217 4.103 4.320 0.000 0.000 0.207 93 K C 2.002 178.636 176.600 0.056 0.000 1.049 93 K CA 1.869 58.178 56.287 0.036 0.000 0.931 93 K CB -0.144 32.377 32.500 0.034 0.000 0.714 93 K HN 0.440 nan 8.250 nan 0.000 0.440 94 N N 0.975 119.716 118.700 0.068 0.000 2.142 94 N HA -0.104 4.636 4.740 0.000 0.000 0.186 94 N C 1.874 177.468 175.510 0.141 0.000 1.023 94 N CA 1.188 54.291 53.050 0.088 0.000 0.852 94 N CB -0.205 38.325 38.487 0.071 0.000 0.998 94 N HN 0.244 nan 8.380 nan 0.000 0.424 95 I N 1.260 121.910 120.570 0.134 0.000 2.226 95 I HA -0.241 3.929 4.170 0.000 0.000 0.245 95 I C 2.424 178.684 176.117 0.238 0.000 1.100 95 I CA 1.150 62.573 61.300 0.206 0.000 1.374 95 I CB -0.215 37.808 38.000 0.038 0.000 1.057 95 I HN 0.226 nan 8.210 nan 0.000 0.413 96 E N 0.586 120.843 120.200 0.095 0.000 2.077 96 E HA -0.214 4.136 4.350 0.000 0.000 0.193 96 E C 2.081 178.742 176.600 0.102 0.000 0.989 96 E CA 1.898 58.334 56.400 0.060 0.000 0.800 96 E CB 0.061 29.767 29.700 0.010 0.000 0.746 96 E HN 0.404 nan 8.360 nan 0.000 0.452 97 T N 0.565 115.187 114.554 0.114 0.000 2.708 97 T HA -0.167 4.183 4.350 0.000 0.000 0.266 97 T C 1.389 176.178 174.700 0.149 0.000 1.037 97 T CA 1.345 63.510 62.100 0.107 0.000 1.146 97 T CB -0.453 68.474 68.868 0.098 0.000 0.865 97 T HN 0.232 nan 8.240 nan 0.000 0.435 98 F N 1.480 121.449 119.950 0.031 0.000 2.146 98 F HA -0.068 4.459 4.527 0.000 0.000 0.298 98 F C 2.181 177.915 175.800 -0.111 0.000 1.096 98 F CA 1.273 59.247 58.000 -0.044 0.000 1.275 98 F CB -0.511 38.445 39.000 -0.073 0.000 1.008 98 F HN 0.257 nan 8.300 nan 0.000 0.480 99 H N -1.303 117.721 119.070 -0.078 0.000 2.428 99 H HA -0.033 4.523 4.556 0.000 0.000 0.296 99 H C 2.256 177.477 175.328 -0.178 0.000 1.062 99 H CA 1.844 57.770 56.048 -0.203 0.000 1.350 99 H CB -0.663 29.032 29.762 -0.110 0.000 1.403 99 H HN 0.144 nan 8.280 nan 0.000 0.533 100 T N -0.013 114.533 114.554 -0.012 0.000 2.833 100 T HA -0.108 4.242 4.350 0.000 0.000 0.269 100 T C 2.202 176.856 174.700 -0.076 0.000 1.054 100 T CA 1.046 63.126 62.100 -0.035 0.000 1.135 100 T CB -0.374 68.488 68.868 -0.010 0.000 0.869 100 T HN 0.484 nan 8.240 nan 0.000 0.466 101 A N 0.966 123.719 122.820 -0.112 0.000 2.216 101 A HA -0.036 4.284 4.320 0.000 0.000 0.214 101 A C 1.993 179.463 177.584 -0.190 0.000 1.160 101 A CA 0.847 52.808 52.037 -0.126 0.000 0.725 101 A CB -0.414 18.527 19.000 -0.098 0.000 0.784 101 A HN 0.537 nan 8.150 nan 0.000 0.472 102 Q N -0.103 119.546 119.800 -0.251 0.000 2.360 102 Q HA 0.076 4.416 4.340 0.000 0.000 0.202 102 Q C -0.203 175.726 176.000 -0.119 0.000 0.915 102 Q CA -0.025 55.636 55.803 -0.236 0.000 0.943 102 Q CB 0.165 28.714 28.738 -0.315 0.000 1.064 102 Q HN 0.508 nan 8.270 nan 0.000 0.511 103 K N 1.420 121.768 120.400 -0.086 0.000 2.484 103 K HA 0.040 4.360 4.320 0.000 0.000 0.280 103 K C -0.347 176.228 176.600 -0.041 0.000 1.013 103 K CA 0.201 56.459 56.287 -0.048 0.000 1.029 103 K CB 0.511 32.989 32.500 -0.037 0.000 0.902 103 K HN 0.147 nan 8.250 nan 0.000 0.481 104 L N 5.533 126.740 121.223 -0.027 0.000 2.360 104 L HA 0.180 4.520 4.340 0.000 0.000 0.276 104 L C -1.747 175.113 176.870 -0.016 0.000 1.121 104 L CA -2.005 52.823 54.840 -0.021 0.000 0.845 104 L CB 0.090 42.143 42.059 -0.011 0.000 1.143 104 L HN 0.401 nan 8.230 nan 0.000 0.452 105 P HA 0.174 nan 4.420 nan 0.000 0.273 105 P C -2.388 174.908 177.300 -0.007 0.000 1.250 105 P CA -0.917 62.176 63.100 -0.011 0.000 0.793 105 P CB -0.231 31.462 31.700 -0.011 0.000 1.011 106 P HA 0.037 nan 4.420 nan 0.000 0.268 106 P C -1.070 176.230 177.300 -0.001 0.000 1.205 106 P CA 0.259 63.358 63.100 -0.002 0.000 0.771 106 P CB 0.445 32.144 31.700 -0.001 0.000 0.858 107 V N 3.688 123.603 119.914 0.001 0.000 2.350 107 V HA 0.326 4.446 4.120 0.000 0.000 0.285 107 V C -0.196 175.900 176.094 0.003 0.000 1.014 107 V CA 0.028 62.329 62.300 0.002 0.000 0.831 107 V CB 1.099 32.923 31.823 0.002 0.000 1.000 107 V HN 0.601 nan 8.190 nan 0.000 0.433 108 D N 3.733 124.135 120.400 0.003 0.000 2.470 108 D HA 0.469 5.109 4.640 0.000 0.000 0.233 108 D C -1.564 174.739 176.300 0.005 0.000 1.372 108 D CA -0.006 53.996 54.000 0.005 0.000 0.994 108 D CB 2.112 42.914 40.800 0.004 0.000 1.377 108 D HN 0.384 nan 8.370 nan 0.000 0.586 109 V N 2.785 122.702 119.914 0.006 0.000 2.971 109 V HA 0.500 4.620 4.120 0.000 0.000 0.309 109 V C -1.129 174.970 176.094 0.008 0.000 1.130 109 V CA -0.635 61.669 62.300 0.006 0.000 0.964 109 V CB 2.278 34.104 31.823 0.005 0.000 1.029 109 V HN 0.381 nan 8.190 nan 0.000 0.427 110 E N 2.994 123.199 120.200 0.008 0.000 2.046 110 E HA 0.223 4.573 4.350 0.000 0.000 0.279 110 E C 0.975 177.580 176.600 0.007 0.000 0.989 110 E CA 0.362 56.768 56.400 0.009 0.000 0.798 110 E CB 1.463 31.169 29.700 0.009 0.000 1.086 110 E HN 0.943 nan 8.360 nan 0.000 0.399 111 T N 0.805 115.364 114.554 0.008 0.000 2.833 111 T HA -0.240 4.110 4.350 0.000 0.000 0.269 111 T C 0.719 175.421 174.700 0.003 0.000 1.054 111 T CA 0.992 63.096 62.100 0.006 0.000 1.135 111 T CB -0.113 68.759 68.868 0.007 0.000 0.869 111 T HN 0.556 nan 8.240 nan 0.000 0.466 112 Q N -0.109 119.694 119.800 0.005 0.000 2.462 112 Q HA 0.551 4.891 4.340 0.000 0.000 0.285 112 Q C -3.496 172.507 176.000 0.006 0.000 1.035 112 Q CA -2.865 52.939 55.803 0.002 0.000 0.799 112 Q CB 1.140 29.876 28.738 -0.003 0.000 1.452 112 Q HN -0.088 nan 8.270 nan 0.000 0.404 113 P HA 0.020 nan 4.420 nan 0.000 0.260 113 P C 0.550 177.858 177.300 0.014 0.000 1.172 113 P CA 2.131 65.237 63.100 0.009 0.000 0.760 113 P CB 0.219 31.922 31.700 0.006 0.000 0.773 114 G N 1.756 110.567 108.800 0.019 0.000 2.179 114 G HA2 -0.210 3.750 3.960 0.000 0.000 0.260 114 G HA3 -0.210 3.750 3.960 0.000 0.000 0.260 114 G C 0.007 174.928 174.900 0.036 0.000 0.977 114 G CA -0.106 45.011 45.100 0.029 0.000 0.641 114 G HN 0.520 nan 8.290 nan 0.000 0.533 115 V N 1.395 121.326 119.914 0.028 0.000 2.276 115 V HA 0.444 4.564 4.120 0.000 0.000 0.268 115 V C 0.619 176.727 176.094 0.024 0.000 1.032 115 V CA -0.654 61.664 62.300 0.031 0.000 0.810 115 V CB 1.111 32.949 31.823 0.025 0.000 1.060 115 V HN 0.407 nan 8.190 nan 0.000 0.446 116 R N 3.161 123.675 120.500 0.024 0.000 2.202 116 R HA 0.549 4.889 4.340 0.000 0.000 0.334 116 R C -1.042 175.269 176.300 0.018 0.000 1.036 116 R CA -0.186 55.925 56.100 0.018 0.000 0.878 116 R CB 0.701 31.011 30.300 0.016 0.000 1.067 116 R HN 0.654 nan 8.270 nan 0.000 0.457 117 C N 4.068 123.377 119.300 0.015 0.000 2.379 117 C HA 0.484 4.944 4.460 0.000 0.000 0.323 117 C C -0.449 174.548 174.990 0.011 0.000 1.262 117 C CA -0.648 58.379 59.018 0.014 0.000 1.581 117 C CB 1.481 29.229 27.740 0.014 0.000 2.221 117 C HN 0.805 nan 8.230 nan 0.000 0.497 118 Q N 1.070 120.876 119.800 0.010 0.000 2.484 118 Q HA 0.597 4.937 4.340 0.000 0.000 0.285 118 Q C -1.182 174.823 176.000 0.008 0.000 1.097 118 Q CA -0.592 55.216 55.803 0.008 0.000 0.802 118 Q CB 2.415 31.157 28.738 0.008 0.000 1.444 118 Q HN 0.748 nan 8.270 nan 0.000 0.429 119 Q N 1.500 121.304 119.800 0.007 0.000 2.290 119 Q HA 0.558 4.899 4.340 0.000 0.000 0.269 119 Q C -1.497 174.507 176.000 0.007 0.000 1.016 119 Q CA -0.559 55.249 55.803 0.007 0.000 0.754 119 Q CB 1.871 30.613 28.738 0.006 0.000 1.247 119 Q HN 0.588 nan 8.270 nan 0.000 0.451 120 V N 0.368 120.287 119.914 0.008 0.000 3.113 120 V HA 0.826 4.946 4.120 0.000 0.000 0.316 120 V C -0.252 175.849 176.094 0.011 0.000 1.125 120 V CA -0.532 61.773 62.300 0.008 0.000 1.026 120 V CB 1.650 33.477 31.823 0.008 0.000 1.080 120 V HN 0.824 nan 8.190 nan 0.000 0.444 121 T N 0.671 115.233 114.554 0.012 0.000 2.888 121 T HA 0.825 5.175 4.350 0.000 0.000 0.284 121 T C -0.468 174.244 174.700 0.020 0.000 1.017 121 T CA -0.851 61.260 62.100 0.017 0.000 1.022 121 T CB 1.790 70.669 68.868 0.018 0.000 1.013 121 T HN 0.862 nan 8.240 nan 0.000 0.465 122 R N 1.891 122.407 120.500 0.027 0.000 2.673 122 R HA 0.573 4.913 4.340 0.000 0.000 0.281 122 R C -2.928 173.398 176.300 0.043 0.000 0.991 122 R CA -2.362 53.755 56.100 0.029 0.000 0.896 122 R CB 2.079 32.394 30.300 0.025 0.000 1.201 122 R HN 0.556 nan 8.270 nan 0.000 0.457 123 P HA 0.142 nan 4.420 nan 0.000 0.276 123 P C -0.156 177.189 177.300 0.076 0.000 1.244 123 P CA -0.420 62.722 63.100 0.070 0.000 0.801 123 P CB 0.831 32.568 31.700 0.061 0.000 1.006 124 V N 2.165 122.143 119.914 0.107 0.000 2.508 124 V HA 0.089 4.209 4.120 0.000 0.000 0.281 124 V C 1.903 178.057 176.094 0.099 0.000 1.041 124 V CA 0.686 63.046 62.300 0.100 0.000 1.016 124 V CB 0.189 32.091 31.823 0.132 0.000 0.984 124 V HN 0.749 nan 8.190 nan 0.000 0.478 125 A N 4.716 127.580 122.820 0.073 0.000 1.902 125 A HA -0.016 4.304 4.320 0.000 0.000 0.217 125 A C 1.141 178.770 177.584 0.075 0.000 1.181 125 A CA 1.581 53.657 52.037 0.064 0.000 0.623 125 A CB -0.154 18.875 19.000 0.049 0.000 0.818 125 A HN 1.012 nan 8.150 nan 0.000 0.443 126 S N -1.416 114.337 115.700 0.087 0.000 2.547 126 S HA 0.618 5.088 4.470 0.000 0.000 0.281 126 S C -0.776 173.906 174.600 0.137 0.000 1.118 126 S CA -0.123 58.136 58.200 0.098 0.000 0.947 126 S CB 1.505 64.752 63.200 0.078 0.000 1.053 126 S HN 1.332 nan 8.310 nan 0.000 0.482 127 V N -0.764 119.250 119.914 0.168 0.000 2.876 127 V HA 1.029 5.149 4.120 0.000 0.000 0.312 127 V C 0.061 176.291 176.094 0.226 0.000 1.085 127 V CA -0.465 61.989 62.300 0.255 0.000 0.945 127 V CB 1.358 33.386 31.823 0.341 0.000 1.017 127 V HN 1.284 nan 8.190 nan 0.000 0.428 128 G N 3.001 111.961 108.800 0.266 0.000 2.452 128 G HA2 0.733 4.693 3.960 0.000 0.000 0.324 128 G HA3 0.733 4.693 3.960 0.000 0.000 0.324 128 G C -1.215 173.861 174.900 0.294 0.000 1.214 128 G CA -0.956 44.280 45.100 0.226 0.000 0.947 128 G HN 0.913 nan 8.290 nan 0.000 0.478 129 L N 1.125 122.494 121.223 0.243 0.000 2.346 129 L HA 0.472 4.812 4.340 0.000 0.000 0.276 129 L C -1.186 175.826 176.870 0.236 0.000 1.006 129 L CA -1.148 53.840 54.840 0.247 0.000 0.817 129 L CB 2.229 44.383 42.059 0.158 0.000 1.272 129 L HN 0.545 nan 8.230 nan 0.000 0.421 130 Y N 4.245 124.623 120.300 0.129 0.000 2.352 130 Y HA 0.629 5.179 4.550 0.000 0.000 0.339 130 Y C -0.792 175.163 175.900 0.092 0.000 0.992 130 Y CA -0.843 57.313 58.100 0.094 0.000 1.100 130 Y CB 1.236 39.734 38.460 0.063 0.000 1.192 130 Y HN 0.311 nan 8.280 nan 0.000 0.458 131 I N 8.625 128.722 120.570 -0.788 0.000 2.447 131 I HA 0.342 4.512 4.170 0.000 0.000 0.287 131 I C -2.541 173.152 176.117 -0.706 0.000 1.023 131 I CA -2.593 58.418 61.300 -0.482 0.000 1.083 131 I CB 1.654 39.534 38.000 -0.199 0.000 1.245 131 I HN 0.505 nan 8.210 nan 0.000 0.434 132 P HA 0.220 nan 4.420 nan 0.000 0.273 132 P C 0.407 177.656 177.300 -0.084 0.000 1.250 132 P CA 0.041 63.069 63.100 -0.119 0.000 0.793 132 P CB 1.019 32.749 31.700 0.050 0.000 1.011 133 G N -0.974 107.819 108.800 -0.012 0.000 3.227 133 G HA2 0.616 4.576 3.960 0.000 0.000 0.171 133 G HA3 0.616 4.576 3.960 0.000 0.000 0.171 133 G C 0.082 174.992 174.900 0.018 0.000 1.463 133 G CA -0.306 44.796 45.100 0.003 0.000 1.016 133 G HN 0.840 nan 8.290 nan 0.000 0.594 134 G N -1.829 106.985 108.800 0.024 0.000 2.655 134 G HA2 0.187 4.147 3.960 0.000 0.000 0.680 134 G HA3 0.187 4.147 3.960 0.000 0.000 0.680 134 G C 1.063 175.979 174.900 0.027 0.000 1.302 134 G CA 0.654 45.767 45.100 0.023 0.000 0.872 134 G HN 1.648 nan 8.290 nan 0.000 0.540 135 S N -0.545 115.170 115.700 0.024 0.000 2.382 135 S HA 0.338 4.808 4.470 0.000 0.000 0.228 135 S C 1.442 176.063 174.600 0.035 0.000 1.027 135 S CA 2.123 60.339 58.200 0.027 0.000 0.991 135 S CB -0.090 63.123 63.200 0.022 0.000 0.823 135 S HN 2.320 nan 8.310 nan 0.000 0.469 136 A N 3.586 126.427 122.820 0.035 0.000 2.276 136 A HA 0.614 4.934 4.320 0.000 0.000 0.316 136 A C -2.462 175.162 177.584 0.067 0.000 1.229 136 A CA -1.935 50.132 52.037 0.050 0.000 0.851 136 A CB 0.385 19.406 19.000 0.034 0.000 1.165 136 A HN 0.352 nan 8.150 nan 0.000 0.513 137 P HA 0.188 nan 4.420 nan 0.000 0.279 137 P C -0.570 176.838 177.300 0.180 0.000 1.318 137 P CA 0.056 63.259 63.100 0.172 0.000 0.819 137 P CB 0.534 32.378 31.700 0.239 0.000 0.927 138 L N 4.829 126.091 121.223 0.064 0.000 2.727 138 L HA 0.140 4.480 4.340 0.000 0.000 0.237 138 L C 1.560 178.398 176.870 -0.054 0.000 1.370 138 L CA -0.440 54.370 54.840 -0.050 0.000 1.248 138 L CB -1.023 41.012 42.059 -0.040 0.000 1.556 138 L HN 0.322 nan 8.230 nan 0.000 0.420 139 F N -1.193 118.814 119.950 0.096 0.000 2.451 139 F HA -0.114 4.413 4.527 0.000 0.000 0.299 139 F C 2.391 178.262 175.800 0.117 0.000 1.101 139 F CA 0.684 58.737 58.000 0.089 0.000 1.436 139 F CB -0.883 38.170 39.000 0.088 0.000 1.074 139 F HN 0.328 nan 8.300 nan 0.000 0.553 140 S N -0.281 115.098 115.700 -0.534 0.000 2.400 140 S HA -0.220 4.250 4.470 0.000 0.000 0.232 140 S C 1.798 176.406 174.600 0.013 0.000 1.025 140 S CA 1.602 59.724 58.200 -0.130 0.000 0.993 140 S CB -1.566 61.597 63.200 -0.063 0.000 0.808 140 S HN 0.497 nan 8.310 nan 0.000 0.478 141 T N 2.171 116.775 114.554 0.082 0.000 2.881 141 T HA -0.013 4.337 4.350 0.000 0.000 0.270 141 T C 1.813 176.526 174.700 0.022 0.000 1.068 141 T CA 1.217 63.374 62.100 0.096 0.000 1.131 141 T CB -0.564 68.427 68.868 0.204 0.000 0.871 141 T HN 0.323 nan 8.240 nan 0.000 0.479 142 V N 1.455 121.400 119.914 0.053 0.000 2.295 142 V HA -0.076 4.044 4.120 0.000 0.000 0.246 142 V C 1.627 177.710 176.094 -0.018 0.000 1.049 142 V CA 1.207 63.527 62.300 0.034 0.000 1.024 142 V CB -0.726 31.142 31.823 0.075 0.000 0.648 142 V HN 0.427 nan 8.190 nan 0.000 0.447 146 A N 0.206 122.887 122.820 -0.232 0.000 2.014 146 A HA -0.059 4.261 4.320 0.000 0.000 0.218 146 A C 2.050 179.433 177.584 -0.335 0.000 1.163 146 A CA 2.298 54.186 52.037 -0.249 0.000 0.652 146 A CB -0.580 18.334 19.000 -0.144 0.000 0.808 146 A HN 0.411 nan 8.150 nan 0.000 0.449 147 T N 0.796 115.142 114.554 -0.346 0.000 2.701 147 T HA -0.065 4.285 4.350 0.000 0.000 0.263 147 T C -0.283 174.137 174.700 -0.466 0.000 1.040 147 T CA 1.605 63.501 62.100 -0.342 0.000 1.147 147 T CB -1.010 67.690 68.868 -0.281 0.000 0.865 147 T HN 0.463 nan 8.240 nan 0.000 0.426 148 P HA 0.065 nan 4.420 nan 0.000 0.221 148 P C 1.387 178.114 177.300 -0.956 0.000 1.150 148 P CA 1.055 63.696 63.100 -0.765 0.000 0.800 148 P CB -0.156 31.041 31.700 -0.838 0.000 0.787 149 A N 0.413 122.487 122.820 -1.243 0.000 1.902 149 A HA -0.183 4.137 4.320 0.000 0.000 0.217 149 A C 2.662 180.038 177.584 -0.346 0.000 1.181 149 A CA 2.304 53.867 52.037 -0.789 0.000 0.623 149 A CB -1.606 17.089 19.000 -0.509 0.000 0.818 149 A HN 0.278 nan 8.150 nan 0.000 0.443 150 S N -0.340 115.175 115.700 -0.307 0.000 2.356 150 S HA -0.126 4.344 4.470 0.000 0.000 0.223 150 S C 1.921 176.432 174.600 -0.149 0.000 1.032 150 S CA 1.461 59.552 58.200 -0.182 0.000 1.005 150 S CB -0.554 62.547 63.200 -0.164 0.000 0.867 150 S HN 0.476 nan 8.310 nan 0.000 0.449 151 I N 1.704 122.166 120.570 -0.180 0.000 2.286 151 I HA -0.152 4.018 4.170 0.000 0.000 0.248 151 I C 2.714 178.780 176.117 -0.085 0.000 1.115 151 I CA 1.176 62.405 61.300 -0.118 0.000 1.392 151 I CB -0.462 37.470 38.000 -0.112 0.000 1.065 151 I HN 0.396 nan 8.210 nan 0.000 0.418 152 A N 0.332 123.092 122.820 -0.100 0.000 2.119 152 A HA 0.146 4.466 4.320 0.000 0.000 0.217 152 A C 1.911 179.491 177.584 -0.008 0.000 1.153 152 A CA 1.029 53.052 52.037 -0.024 0.000 0.692 152 A CB -0.722 18.299 19.000 0.036 0.000 0.799 152 A HN 0.608 nan 8.150 nan 0.000 0.458 153 G N -1.863 106.918 108.800 -0.032 0.000 2.149 153 G HA2 -0.247 3.713 3.960 0.000 0.000 0.235 153 G HA3 -0.247 3.713 3.960 0.000 0.000 0.235 153 G C 0.141 175.044 174.900 0.006 0.000 1.018 153 G CA -0.114 44.977 45.100 -0.015 0.000 0.728 153 G HN 0.646 nan 8.290 nan 0.000 0.508 154 C N 1.114 120.421 119.300 0.012 0.000 2.590 154 C HA 0.233 4.693 4.460 0.000 0.000 0.411 154 C C 2.081 177.088 174.990 0.028 0.000 1.420 154 C CA -0.083 58.962 59.018 0.045 0.000 1.643 154 C CB 0.751 28.535 27.740 0.074 0.000 2.528 154 C HN 0.487 nan 8.230 nan 0.000 0.606 155 K N 1.880 122.302 120.400 0.037 0.000 2.097 155 K HA -0.022 4.298 4.320 0.000 0.000 0.205 155 K C 0.379 176.999 176.600 0.033 0.000 1.050 155 K CA 1.313 57.617 56.287 0.029 0.000 0.938 155 K CB 0.025 32.544 32.500 0.032 0.000 0.718 155 K HN 0.676 nan 8.250 nan 0.000 0.442 156 K N 0.801 121.230 120.400 0.049 0.000 2.376 156 K HA 0.401 4.721 4.320 0.000 0.000 0.257 156 K C -1.160 175.481 176.600 0.070 0.000 0.939 156 K CA -0.498 55.824 56.287 0.059 0.000 0.809 156 K CB 2.813 35.356 32.500 0.072 0.000 1.121 156 K HN -0.308 nan 8.250 nan 0.000 0.425 157 V N 3.616 123.565 119.914 0.058 0.000 2.447 157 V HA 0.336 4.456 4.120 0.000 0.000 0.292 157 V C -0.389 175.749 176.094 0.074 0.000 1.021 157 V CA -0.878 61.457 62.300 0.059 0.000 0.850 157 V CB 1.527 33.353 31.823 0.005 0.000 1.005 157 V HN 0.617 nan 8.190 nan 0.000 0.426 158 V N 3.427 123.416 119.914 0.126 0.000 3.074 158 V HA 0.855 4.975 4.120 0.000 0.000 0.314 158 V C -1.056 175.143 176.094 0.175 0.000 1.117 158 V CA -0.980 61.421 62.300 0.168 0.000 1.014 158 V CB 2.332 34.349 31.823 0.324 0.000 1.057 158 V HN 0.737 nan 8.190 nan 0.000 0.438 159 L N 1.512 122.840 121.223 0.176 0.000 2.422 159 L HA 0.850 5.190 4.340 0.000 0.000 0.264 159 L C -1.179 175.820 176.870 0.215 0.000 0.984 159 L CA -0.076 54.856 54.840 0.154 0.000 0.819 159 L CB 1.888 43.983 42.059 0.059 0.000 1.330 159 L HN 0.983 nan 8.230 nan 0.000 0.410 160 C N 2.162 121.583 119.300 0.202 0.000 2.507 160 C HA 0.874 5.334 4.460 0.000 0.000 0.319 160 C C -0.117 174.887 174.990 0.023 0.000 1.208 160 C CA -0.428 58.721 59.018 0.219 0.000 1.619 160 C CB 1.523 29.452 27.740 0.314 0.000 2.230 160 C HN 0.790 nan 8.230 nan 0.000 0.492 161 S N 2.182 117.894 115.700 0.020 0.000 2.535 161 S HA 0.598 5.068 4.470 0.000 0.000 0.272 161 S C -3.124 171.489 174.600 0.022 0.000 1.149 161 S CA -0.692 57.436 58.200 -0.121 0.000 0.888 161 S CB 1.714 64.840 63.200 -0.124 0.000 1.110 161 S HN 0.482 nan 8.310 nan 0.000 0.463 162 P HA 0.210 nan 4.420 nan 0.000 0.263 162 P C -2.533 174.802 177.300 0.058 0.000 1.195 162 P CA -0.722 62.424 63.100 0.076 0.000 0.762 162 P CB -0.231 31.513 31.700 0.073 0.000 0.799 163 P HA 0.220 nan 4.420 nan 0.000 0.277 163 P C -2.334 175.000 177.300 0.056 0.000 1.240 163 P CA -1.719 61.419 63.100 0.062 0.000 0.798 163 P CB -0.368 31.377 31.700 0.075 0.000 0.979 164 P HA 0.342 nan 4.420 nan 0.000 0.280 164 P C -0.248 177.072 177.300 0.033 0.000 1.244 164 P CA -0.200 62.923 63.100 0.039 0.000 0.784 164 P CB 0.807 32.527 31.700 0.033 0.000 0.913 165 I N 2.277 122.864 120.570 0.030 0.000 2.396 165 I HA 0.208 4.378 4.170 0.000 0.000 0.289 165 I C 1.207 177.339 176.117 0.025 0.000 1.056 165 I CA -0.646 60.668 61.300 0.024 0.000 1.365 165 I CB 0.806 38.817 38.000 0.017 0.000 1.407 165 I HN 0.426 nan 8.210 nan 0.000 0.509 166 A N 5.204 128.044 122.820 0.033 0.000 2.555 166 A HA -0.037 4.283 4.320 0.000 0.000 0.233 166 A C 1.108 178.710 177.584 0.029 0.000 1.060 166 A CA -0.147 51.911 52.037 0.035 0.000 0.759 166 A CB 0.076 19.110 19.000 0.057 0.000 0.995 166 A HN 0.806 nan 8.150 nan 0.000 0.506 167 D N 1.441 121.849 120.400 0.013 0.000 2.158 167 D HA -0.154 4.487 4.640 0.000 0.000 0.197 167 D C 1.627 177.929 176.300 0.004 0.000 0.995 167 D CA 2.066 56.068 54.000 0.003 0.000 0.846 167 D CB -0.143 40.642 40.800 -0.025 0.000 0.941 167 D HN 0.768 nan 8.370 nan 0.000 0.456 168 E N 0.300 120.483 120.200 -0.027 0.000 2.110 168 E HA -0.084 4.266 4.350 0.000 0.000 0.193 168 E C 2.283 178.890 176.600 0.012 0.000 0.988 168 E CA 0.423 56.754 56.400 -0.116 0.000 0.804 168 E CB -0.166 29.406 29.700 -0.212 0.000 0.745 168 E HN 0.353 nan 8.360 nan 0.000 0.458 169 I N 0.323 120.951 120.570 0.097 0.000 2.252 169 I HA -0.244 3.926 4.170 0.000 0.000 0.245 169 I C 2.060 178.212 176.117 0.058 0.000 1.102 169 I CA 0.882 62.253 61.300 0.117 0.000 1.385 169 I CB -0.192 37.860 38.000 0.086 0.000 1.064 169 I HN 0.100 nan 8.210 nan 0.000 0.414 170 L N -0.634 120.614 121.223 0.041 0.000 2.046 170 L HA -0.256 4.084 4.340 0.000 0.000 0.208 170 L C 2.691 179.571 176.870 0.018 0.000 1.077 170 L CA 1.507 56.357 54.840 0.018 0.000 0.747 170 L CB -0.775 41.295 42.059 0.019 0.000 0.896 170 L HN 0.260 nan 8.230 nan 0.000 0.432 171 Y N 0.783 121.045 120.300 -0.062 0.000 2.200 171 Y HA -0.219 4.331 4.550 0.000 0.000 0.290 171 Y C 2.517 178.381 175.900 -0.059 0.000 1.137 171 Y CA 1.151 59.206 58.100 -0.075 0.000 1.163 171 Y CB -0.279 38.113 38.460 -0.114 0.000 0.988 171 Y HN 0.087 nan 8.280 nan 0.000 0.518 172 A N 0.471 123.255 122.820 -0.061 0.000 1.902 172 A HA -0.141 4.179 4.320 0.000 0.000 0.217 172 A C 2.431 179.942 177.584 -0.122 0.000 1.181 172 A CA 1.968 53.965 52.037 -0.067 0.000 0.623 172 A CB -1.493 17.588 19.000 0.135 0.000 0.818 172 A HN 0.593 nan 8.150 nan 0.000 0.443 173 A N -1.071 121.697 122.820 -0.087 0.000 1.877 173 A HA -0.204 4.116 4.320 0.000 0.000 0.216 173 A C 2.171 179.670 177.584 -0.142 0.000 1.186 173 A CA 2.160 54.142 52.037 -0.091 0.000 0.620 173 A CB -0.540 18.422 19.000 -0.063 0.000 0.822 173 A HN 0.514 nan 8.150 nan 0.000 0.443 174 Q N -0.666 119.020 119.800 -0.190 0.000 2.079 174 Q HA -0.114 4.226 4.340 0.000 0.000 0.200 174 Q C 1.873 177.717 176.000 -0.260 0.000 0.974 174 Q CA 1.671 57.350 55.803 -0.205 0.000 0.840 174 Q CB -0.554 28.060 28.738 -0.206 0.000 0.898 174 Q HN 0.520 nan 8.270 nan 0.000 0.430 175 L N -0.542 120.437 121.223 -0.406 0.000 2.079 175 L HA -0.143 4.197 4.340 0.000 0.000 0.210 175 L C 1.599 178.347 176.870 -0.203 0.000 1.081 175 L CA 1.764 56.382 54.840 -0.369 0.000 0.752 175 L CB -0.482 41.283 42.059 -0.488 0.000 0.896 175 L HN 0.353 nan 8.230 nan 0.000 0.433 176 C N 0.421 119.618 119.300 -0.172 0.000 2.673 176 C HA 0.532 4.992 4.460 0.000 0.000 0.274 176 C C 1.691 176.607 174.990 -0.123 0.000 1.276 176 C CA 0.050 58.987 59.018 -0.134 0.000 1.701 176 C CB -1.527 26.138 27.740 -0.125 0.000 1.836 176 C HN 0.858 nan 8.230 nan 0.000 0.596 177 G N 0.864 109.592 108.800 -0.119 0.000 2.136 177 G HA2 -0.223 3.737 3.960 0.000 0.000 0.242 177 G HA3 -0.223 3.737 3.960 0.000 0.000 0.242 177 G C 0.113 174.963 174.900 -0.083 0.000 0.989 177 G CA 0.261 45.303 45.100 -0.096 0.000 0.682 177 G HN 0.395 nan 8.290 nan 0.000 0.522 178 V N 0.957 120.819 119.914 -0.086 0.000 2.540 178 V HA 0.057 4.177 4.120 0.000 0.000 0.297 178 V C 1.727 177.782 176.094 -0.065 0.000 1.024 178 V CA 1.353 63.614 62.300 -0.064 0.000 1.105 178 V CB 1.220 33.007 31.823 -0.060 0.000 0.938 178 V HN 0.618 nan 8.190 nan 0.000 0.482 179 Q N 2.449 122.222 119.800 -0.045 0.000 2.020 179 Q HA 0.021 4.361 4.340 0.000 0.000 0.198 179 Q C -0.132 175.815 176.000 -0.089 0.000 0.974 179 Q CA 0.961 56.735 55.803 -0.048 0.000 0.829 179 Q CB 0.236 28.966 28.738 -0.013 0.000 0.894 179 Q HN 0.752 nan 8.270 nan 0.000 0.433 180 D N 0.019 120.352 120.400 -0.112 0.000 2.646 180 D HA 0.383 5.023 4.640 0.000 0.000 0.245 180 D C -1.235 174.823 176.300 -0.404 0.000 1.099 180 D CA -0.333 53.480 54.000 -0.311 0.000 0.849 180 D CB 2.866 43.472 40.800 -0.322 0.000 1.448 180 D HN -0.166 nan 8.370 nan 0.000 0.489 181 V N 2.339 121.926 119.914 -0.546 0.000 2.487 181 V HA 0.465 4.585 4.120 0.000 0.000 0.298 181 V C -0.768 175.010 176.094 -0.526 0.000 1.028 181 V CA -0.711 61.376 62.300 -0.355 0.000 0.860 181 V CB 1.171 32.893 31.823 -0.169 0.000 0.991 181 V HN 0.354 nan 8.190 nan 0.000 0.427 182 F N 2.267 122.239 119.950 0.037 0.000 2.495 182 F HA 0.483 5.010 4.527 0.000 0.000 0.327 182 F C 0.896 176.727 175.800 0.051 0.000 1.103 182 F CA -0.913 57.115 58.000 0.047 0.000 0.949 182 F CB 1.487 40.523 39.000 0.060 0.000 1.142 182 F HN 0.360 nan 8.300 nan 0.000 0.457 183 N N 2.919 121.761 118.700 0.237 0.000 3.103 183 N HA 0.222 4.962 4.740 0.000 0.000 0.305 183 N C -1.142 174.472 175.510 0.173 0.000 1.232 183 N CA 0.247 53.394 53.050 0.160 0.000 1.190 183 N CB 0.345 38.905 38.487 0.123 0.000 1.461 183 N HN 0.217 nan 8.380 nan 0.000 0.538 184 V N -0.810 119.216 119.914 0.186 0.000 2.851 184 V HA 0.735 4.855 4.120 0.000 0.000 0.307 184 V C 0.490 176.704 176.094 0.200 0.000 1.129 184 V CA -1.044 61.358 62.300 0.170 0.000 0.932 184 V CB 2.095 34.009 31.823 0.151 0.000 1.024 184 V HN 0.397 nan 8.190 nan 0.000 0.426 185 G N 0.868 109.770 108.800 0.171 0.000 3.042 185 G HA2 0.823 4.783 3.960 0.000 0.000 0.278 185 G HA3 0.823 4.783 3.960 0.000 0.000 0.278 185 G C 0.231 175.182 174.900 0.086 0.000 1.371 185 G CA 0.100 45.349 45.100 0.248 0.000 1.009 185 G HN 1.670 nan 8.290 nan 0.000 0.523 186 G N -0.618 108.206 108.800 0.040 0.000 2.578 186 G HA2 0.159 4.119 3.960 0.000 0.000 0.275 186 G HA3 0.159 4.119 3.960 0.000 0.000 0.275 186 G C 1.522 176.261 174.900 -0.268 0.000 1.271 186 G CA 1.380 46.376 45.100 -0.174 0.000 0.941 186 G HN 1.917 nan 8.290 nan 0.000 0.564 187 A N -1.612 121.073 122.820 -0.226 0.000 1.978 187 A HA -0.051 4.269 4.320 0.000 0.000 0.220 187 A C 2.400 179.868 177.584 -0.195 0.000 1.170 187 A CA 2.644 54.567 52.037 -0.190 0.000 0.636 187 A CB -0.525 18.399 19.000 -0.127 0.000 0.810 187 A HN 0.875 nan 8.150 nan 0.000 0.448 188 Q N 0.017 119.677 119.800 -0.233 0.000 2.124 188 Q HA 0.002 4.342 4.340 0.000 0.000 0.202 188 Q C 2.258 178.216 176.000 -0.071 0.000 0.977 188 Q CA 1.784 57.483 55.803 -0.173 0.000 0.850 188 Q CB -0.648 27.987 28.738 -0.171 0.000 0.901 188 Q HN 0.647 nan 8.270 nan 0.000 0.429 189 A N 0.732 123.516 122.820 -0.061 0.000 1.898 189 A HA -0.150 4.170 4.320 0.000 0.000 0.216 189 A C 1.974 179.521 177.584 -0.061 0.000 1.181 189 A CA 1.211 53.252 52.037 0.006 0.000 0.620 189 A CB -0.519 18.580 19.000 0.166 0.000 0.819 189 A HN 0.280 nan 8.150 nan 0.000 0.442 190 I N 0.166 120.636 120.570 -0.167 0.000 2.208 190 I HA -0.256 3.914 4.170 0.000 0.000 0.245 190 I C 2.922 178.908 176.117 -0.218 0.000 1.097 190 I CA 1.534 62.716 61.300 -0.196 0.000 1.363 190 I CB -1.683 36.170 38.000 -0.245 0.000 1.051 190 I HN 0.365 nan 8.210 nan 0.000 0.413 191 A N 0.886 123.603 122.820 -0.172 0.000 1.902 191 A HA -0.090 4.230 4.320 0.000 0.000 0.217 191 A C 2.582 180.116 177.584 -0.083 0.000 1.181 191 A CA 1.935 53.875 52.037 -0.163 0.000 0.623 191 A CB -0.760 18.319 19.000 0.131 0.000 0.818 191 A HN 0.417 nan 8.150 nan 0.000 0.443 192 A N -0.320 122.486 122.820 -0.024 0.000 1.933 192 A HA -0.028 4.292 4.320 0.000 0.000 0.218 192 A C 2.163 179.703 177.584 -0.075 0.000 1.175 192 A CA 1.506 53.533 52.037 -0.016 0.000 0.628 192 A CB -0.550 18.420 19.000 -0.050 0.000 0.814 192 A HN 0.474 nan 8.150 nan 0.000 0.444 193 L N -1.034 120.128 121.223 -0.101 0.000 2.072 193 L HA -0.119 4.221 4.340 0.000 0.000 0.205 193 L C 3.046 179.831 176.870 -0.141 0.000 1.079 193 L CA 0.961 55.749 54.840 -0.088 0.000 0.752 193 L CB -0.462 41.575 42.059 -0.036 0.000 0.906 193 L HN 0.418 nan 8.230 nan 0.000 0.436 194 A N -0.462 122.177 122.820 -0.302 0.000 1.968 194 A HA -0.122 4.198 4.320 0.000 0.000 0.217 194 A C 1.806 179.166 177.584 -0.374 0.000 1.169 194 A CA 1.453 53.216 52.037 -0.457 0.000 0.638 194 A CB -0.378 18.127 19.000 -0.825 0.000 0.812 194 A HN 0.355 nan 8.150 nan 0.000 0.446 195 F N -1.131 118.804 119.950 -0.025 0.000 2.602 195 F HA 0.443 4.970 4.527 0.000 0.000 0.284 195 F C 1.424 177.210 175.800 -0.023 0.000 1.111 195 F CA 0.121 58.109 58.000 -0.020 0.000 1.405 195 F CB -0.566 38.424 39.000 -0.017 0.000 1.121 195 F HN 0.394 nan 8.300 nan 0.000 0.603 196 G N 0.751 109.628 108.800 0.129 0.000 2.705 196 G HA2 0.172 4.132 3.960 0.000 0.000 0.686 196 G HA3 0.172 4.132 3.960 0.000 0.000 0.686 196 G C -0.305 174.627 174.900 0.052 0.000 1.285 196 G CA -0.489 44.639 45.100 0.047 0.000 0.800 196 G HN 0.521 nan 8.290 nan 0.000 0.611 197 T N -1.817 112.732 114.554 -0.008 0.000 2.669 197 T HA 0.735 5.085 4.350 0.000 0.000 0.283 197 T C 1.051 175.744 174.700 -0.011 0.000 1.019 197 T CA 0.479 62.579 62.100 -0.001 0.000 1.039 197 T CB 1.566 70.427 68.868 -0.012 0.000 1.374 197 T HN 0.547 nan 8.240 nan 0.000 0.523 198 E N 0.566 120.766 120.200 0.001 0.000 2.118 198 E HA -0.032 4.318 4.350 0.000 0.000 0.195 198 E C 2.123 178.731 176.600 0.013 0.000 0.992 198 E CA 1.850 58.257 56.400 0.011 0.000 0.804 198 E CB -0.208 29.504 29.700 0.019 0.000 0.741 198 E HN 0.531 nan 8.360 nan 0.000 0.458 199 S N -0.598 115.097 115.700 -0.008 0.000 2.468 199 S HA 0.103 4.573 4.470 0.000 0.000 0.226 199 S C 0.565 175.078 174.600 -0.144 0.000 1.051 199 S CA -0.112 58.095 58.200 0.012 0.000 0.943 199 S CB 0.673 63.911 63.200 0.063 0.000 0.810 199 S HN -0.056 nan 8.310 nan 0.000 0.509 200 V N 5.419 125.127 119.914 -0.343 0.000 2.432 200 V HA 0.316 4.436 4.120 0.000 0.000 0.275 200 V C -2.277 173.677 176.094 -0.234 0.000 1.043 200 V CA -2.138 59.792 62.300 -0.617 0.000 0.925 200 V CB 1.030 32.470 31.823 -0.638 0.000 0.985 200 V HN 0.204 nan 8.190 nan 0.000 0.466 201 P HA 0.151 nan 4.420 nan 0.000 0.275 201 P C -0.733 176.560 177.300 -0.012 0.000 1.228 201 P CA -0.579 62.515 63.100 -0.009 0.000 0.786 201 P CB 1.003 32.742 31.700 0.065 0.000 0.927 202 K N 2.444 122.852 120.400 0.013 0.000 2.339 202 K HA 0.273 4.593 4.320 0.000 0.000 0.286 202 K C -0.034 176.579 176.600 0.022 0.000 1.050 202 K CA -0.565 55.731 56.287 0.016 0.000 0.956 202 K CB 0.256 32.780 32.500 0.041 0.000 0.990 202 K HN 0.350 nan 8.250 nan 0.000 0.475 203 V N 0.926 120.846 119.914 0.011 0.000 2.850 203 V HA 0.291 4.411 4.120 0.000 0.000 0.315 203 V C 0.397 176.499 176.094 0.013 0.000 1.064 203 V CA -0.518 61.802 62.300 0.034 0.000 0.979 203 V CB 1.788 33.649 31.823 0.064 0.000 1.039 203 V HN 0.810 nan 8.190 nan 0.000 0.452 204 D N 0.726 121.146 120.400 0.032 0.000 2.194 204 D HA 0.096 4.736 4.640 0.000 0.000 0.204 204 D C 0.499 176.784 176.300 -0.026 0.000 0.964 204 D CA 1.336 55.342 54.000 0.009 0.000 0.846 204 D CB 0.486 41.303 40.800 0.029 0.000 0.962 204 D HN 0.686 nan 8.370 nan 0.000 0.490 205 K N 0.147 120.547 120.400 -0.001 0.000 2.523 205 K HA 0.461 4.781 4.320 0.000 0.000 0.257 205 K C -1.662 174.884 176.600 -0.090 0.000 0.932 205 K CA -0.525 55.692 56.287 -0.117 0.000 0.812 205 K CB 1.972 34.378 32.500 -0.158 0.000 1.326 205 K HN -0.223 nan 8.250 nan 0.000 0.433 206 I N 4.122 124.527 120.570 -0.274 0.000 2.433 206 I HA 0.427 4.597 4.170 0.000 0.000 0.292 206 I C -1.032 174.886 176.117 -0.331 0.000 1.001 206 I CA -0.791 60.430 61.300 -0.131 0.000 1.119 206 I CB 1.060 38.996 38.000 -0.107 0.000 1.289 206 I HN 0.438 nan 8.210 nan 0.000 0.438 207 F N 2.934 122.888 119.950 0.006 0.000 2.561 207 F HA 0.839 5.366 4.527 0.000 0.000 0.321 207 F C 0.586 176.442 175.800 0.094 0.000 1.065 207 F CA -0.937 57.077 58.000 0.022 0.000 0.934 207 F CB 2.162 41.190 39.000 0.047 0.000 1.215 207 F HN 0.564 nan 8.300 nan 0.000 0.471 208 G N 2.522 111.486 108.800 0.273 0.000 3.069 208 G HA2 0.112 4.072 3.960 0.000 0.000 0.686 208 G HA3 0.112 4.072 3.960 0.000 0.000 0.686 208 G C -3.330 171.691 174.900 0.202 0.000 1.161 208 G CA -1.404 43.843 45.100 0.246 0.000 0.804 208 G HN 0.442 nan 8.290 nan 0.000 0.608 209 P HA 0.736 nan 4.420 nan 0.000 0.278 209 P C 0.615 178.028 177.300 0.187 0.000 1.266 209 P CA 0.424 63.607 63.100 0.137 0.000 0.807 209 P CB 2.013 33.785 31.700 0.119 0.000 1.094 210 G N 0.138 109.009 108.800 0.118 0.000 2.634 210 G HA2 0.392 4.352 3.960 0.000 0.000 0.309 210 G HA3 0.392 4.352 3.960 0.000 0.000 0.309 210 G C -0.757 174.177 174.900 0.057 0.000 1.299 210 G CA -0.727 44.459 45.100 0.143 0.000 0.798 210 G HN 0.702 nan 8.290 nan 0.000 0.490 211 N N -0.510 118.226 118.700 0.059 0.000 2.290 211 N HA 0.445 5.185 4.740 0.000 0.000 0.269 211 N C 1.687 177.179 175.510 -0.029 0.000 1.295 211 N CA 0.611 53.678 53.050 0.027 0.000 0.932 211 N CB 0.184 38.716 38.487 0.075 0.000 1.128 211 N HN 0.825 nan 8.380 nan 0.000 0.532 212 A N -0.829 121.934 122.820 -0.096 0.000 1.940 212 A HA -0.091 4.229 4.320 0.000 0.000 0.219 212 A C 1.926 179.345 177.584 -0.276 0.000 1.176 212 A CA 1.267 53.162 52.037 -0.236 0.000 0.631 212 A CB -1.168 17.597 19.000 -0.391 0.000 0.814 212 A HN 0.589 nan 8.150 nan 0.000 0.446 213 F N -0.487 119.410 119.950 -0.089 0.000 2.163 213 F HA -0.089 4.438 4.527 0.000 0.000 0.297 213 F C 2.436 178.146 175.800 -0.150 0.000 1.094 213 F CA 1.315 59.247 58.000 -0.113 0.000 1.290 213 F CB -0.664 38.257 39.000 -0.132 0.000 1.017 213 F HN 0.015 nan 8.300 nan 0.000 0.483 214 V N -0.498 119.417 119.914 0.001 0.000 2.343 214 V HA -0.288 3.832 4.120 0.000 0.000 0.247 214 V C 2.266 178.279 176.094 -0.135 0.000 1.051 214 V CA 2.407 64.607 62.300 -0.168 0.000 1.036 214 V CB -1.082 30.581 31.823 -0.268 0.000 0.654 214 V HN 0.378 nan 8.190 nan 0.000 0.451 215 T N -0.363 114.134 114.554 -0.094 0.000 2.746 215 T HA -0.229 4.121 4.350 0.000 0.000 0.267 215 T C 1.929 176.576 174.700 -0.088 0.000 1.039 215 T CA 1.858 63.905 62.100 -0.088 0.000 1.142 215 T CB -0.214 68.606 68.868 -0.080 0.000 0.866 215 T HN 0.533 nan 8.240 nan 0.000 0.444 216 E N 1.474 121.622 120.200 -0.086 0.000 2.106 216 E HA 0.035 4.385 4.350 0.000 0.000 0.192 216 E C 2.159 178.726 176.600 -0.055 0.000 0.984 216 E CA 1.211 57.571 56.400 -0.068 0.000 0.806 216 E CB -0.523 29.133 29.700 -0.073 0.000 0.750 216 E HN 0.427 nan 8.360 nan 0.000 0.458 217 A N 0.741 123.524 122.820 -0.062 0.000 1.930 217 A HA -0.156 4.164 4.320 0.000 0.000 0.217 217 A C 2.058 179.574 177.584 -0.113 0.000 1.175 217 A CA 1.635 53.625 52.037 -0.078 0.000 0.627 217 A CB -0.369 18.567 19.000 -0.108 0.000 0.815 217 A HN 0.201 nan 8.150 nan 0.000 0.443 218 K N -0.768 119.555 120.400 -0.129 0.000 2.097 218 K HA -0.116 4.204 4.320 0.000 0.000 0.205 218 K C 2.371 178.899 176.600 -0.120 0.000 1.050 218 K CA 1.297 57.500 56.287 -0.141 0.000 0.938 218 K CB -0.161 32.255 32.500 -0.140 0.000 0.718 218 K HN 0.455 nan 8.250 nan 0.000 0.442 219 R N 1.484 121.927 120.500 -0.094 0.000 2.070 219 R HA -0.183 4.157 4.340 0.000 0.000 0.233 219 R C 2.187 178.451 176.300 -0.060 0.000 1.137 219 R CA 1.726 57.782 56.100 -0.075 0.000 0.945 219 R CB -0.040 30.229 30.300 -0.053 0.000 0.845 219 R HN 0.258 nan 8.270 nan 0.000 0.430 220 Q N -0.062 119.710 119.800 -0.047 0.000 2.061 220 Q HA -0.144 4.196 4.340 0.000 0.000 0.204 220 Q C 2.187 178.169 176.000 -0.029 0.000 0.984 220 Q CA 2.085 57.876 55.803 -0.020 0.000 0.846 220 Q CB -0.121 28.621 28.738 0.006 0.000 0.902 220 Q HN 0.430 nan 8.270 nan 0.000 0.421 221 V N -1.238 118.627 119.914 -0.081 0.000 2.626 221 V HA -0.174 3.946 4.120 0.000 0.000 0.252 221 V C 2.197 178.229 176.094 -0.103 0.000 1.067 221 V CA 1.811 64.035 62.300 -0.127 0.000 1.081 221 V CB -0.853 30.799 31.823 -0.286 0.000 0.686 221 V HN 0.358 nan 8.190 nan 0.000 0.468 222 S N -0.417 115.221 115.700 -0.103 0.000 2.447 222 S HA -0.139 4.331 4.470 0.000 0.000 0.233 222 S C 1.861 176.425 174.600 -0.061 0.000 1.006 222 S CA 1.055 59.196 58.200 -0.098 0.000 0.957 222 S CB -0.427 62.704 63.200 -0.115 0.000 0.773 222 S HN 0.643 nan 8.310 nan 0.000 0.507 223 Q N 0.586 120.363 119.800 -0.039 0.000 2.356 223 Q HA 0.301 4.641 4.340 0.000 0.000 0.205 223 Q C 0.118 176.120 176.000 0.003 0.000 0.901 223 Q CA 0.214 56.007 55.803 -0.018 0.000 0.938 223 Q CB 0.179 28.910 28.738 -0.011 0.000 1.081 223 Q HN 0.605 nan 8.270 nan 0.000 0.517 224 R N 0.785 121.295 120.500 0.017 0.000 2.297 224 R HA 0.152 4.492 4.340 0.000 0.000 0.308 224 R C 1.160 177.488 176.300 0.046 0.000 1.029 224 R CA -0.333 55.798 56.100 0.052 0.000 0.929 224 R CB 0.956 31.327 30.300 0.119 0.000 1.046 224 R HN -0.012 nan 8.270 nan 0.000 0.461 225 L N 2.867 124.116 121.223 0.042 0.000 2.131 225 L HA -0.167 4.173 4.340 0.000 0.000 0.210 225 L C 1.279 178.183 176.870 0.056 0.000 1.092 225 L CA 1.966 56.827 54.840 0.034 0.000 0.759 225 L CB -0.227 41.847 42.059 0.026 0.000 0.903 225 L HN 0.714 nan 8.230 nan 0.000 0.435 226 D N -1.695 118.763 120.400 0.098 0.000 2.319 226 D HA 0.108 4.748 4.640 0.000 0.000 0.230 226 D C 1.200 177.650 176.300 0.251 0.000 1.094 226 D CA 0.581 54.672 54.000 0.151 0.000 0.856 226 D CB -0.480 40.401 40.800 0.135 0.000 0.915 226 D HN 0.317 nan 8.370 nan 0.000 0.517 227 G N -0.092 108.792 108.800 0.140 0.000 2.975 227 G HA2 0.626 4.586 3.960 0.000 0.000 0.159 227 G HA3 0.626 4.586 3.960 0.000 0.000 0.159 227 G C -0.591 174.256 174.900 -0.089 0.000 1.525 227 G CA -0.070 45.022 45.100 -0.013 0.000 1.075 227 G HN 0.467 nan 8.290 nan 0.000 0.574 228 A N -2.226 120.507 122.820 -0.144 0.000 2.587 228 A HA 0.808 5.128 4.320 0.000 0.000 0.293 228 A C -0.134 177.366 177.584 -0.140 0.000 1.087 228 A CA 0.139 52.099 52.037 -0.129 0.000 0.692 228 A CB 0.950 19.857 19.000 -0.155 0.000 1.291 228 A HN 1.791 nan 8.150 nan 0.000 0.407 229 A N 0.381 123.117 122.820 -0.141 0.000 2.313 229 A HA 0.705 5.025 4.320 0.000 0.000 0.261 229 A C 0.245 177.673 177.584 -0.260 0.000 1.090 229 A CA 0.191 52.122 52.037 -0.176 0.000 0.807 229 A CB -0.184 18.716 19.000 -0.167 0.000 1.055 229 A HN 1.771 nan 8.150 nan 0.000 0.492 230 I N -1.758 118.637 120.570 -0.293 0.000 3.002 230 I HA 0.574 4.744 4.170 0.000 0.000 0.310 230 I C -0.460 175.373 176.117 -0.474 0.000 1.087 230 I CA -1.196 59.879 61.300 -0.376 0.000 1.017 230 I CB 1.864 39.706 38.000 -0.263 0.000 1.226 230 I HN 0.691 nan 8.210 nan 0.000 0.443 234 A N -0.263 122.486 122.820 -0.118 0.000 2.312 234 A HA 1.024 5.344 4.320 0.000 0.000 0.310 234 A C 0.108 177.732 177.584 0.066 0.000 1.139 234 A CA -0.091 51.933 52.037 -0.022 0.000 0.886 234 A CB 1.296 20.274 19.000 -0.037 0.000 1.350 234 A HN 1.306 nan 8.150 nan 0.000 0.479 235 G N -1.461 107.323 108.800 -0.026 0.000 2.316 235 G HA2 0.493 4.453 3.960 0.000 0.000 0.296 235 G HA3 0.493 4.453 3.960 0.000 0.000 0.296 235 G C -3.486 171.286 174.900 -0.213 0.000 1.399 235 G CA -0.702 44.233 45.100 -0.276 0.000 0.833 235 G HN 0.584 nan 8.290 nan 0.000 0.565 236 P HA 0.322 nan 4.420 nan 0.000 0.265 236 P C 0.181 177.470 177.300 -0.018 0.000 1.193 236 P CA 0.175 63.202 63.100 -0.122 0.000 0.765 236 P CB 0.827 32.455 31.700 -0.120 0.000 0.823 237 S N 1.688 117.376 115.700 -0.021 0.000 2.624 237 S HA 0.304 4.774 4.470 0.000 0.000 0.263 237 S C -0.012 174.607 174.600 0.033 0.000 1.287 237 S CA -0.427 57.737 58.200 -0.059 0.000 0.990 237 S CB 0.338 63.337 63.200 -0.334 0.000 0.950 237 S HN 0.424 nan 8.310 nan 0.000 0.561 238 E N -0.324 119.933 120.200 0.094 0.000 2.366 238 E HA 0.630 4.980 4.350 0.000 0.000 0.278 238 E C -1.772 174.964 176.600 0.225 0.000 0.923 238 E CA -0.621 55.879 56.400 0.167 0.000 0.761 238 E CB 2.317 32.160 29.700 0.237 0.000 1.231 238 E HN 0.253 nan 8.360 nan 0.000 0.443 239 V N 3.057 123.058 119.914 0.145 0.000 2.760 239 V HA 0.615 4.735 4.120 0.000 0.000 0.309 239 V C -1.761 174.373 176.094 0.066 0.000 1.077 239 V CA -0.659 61.705 62.300 0.107 0.000 0.910 239 V CB 1.786 33.589 31.823 -0.033 0.000 1.008 239 V HN 0.623 nan 8.190 nan 0.000 0.424 240 L N 6.552 127.818 121.223 0.072 0.000 2.406 240 L HA 0.769 5.109 4.340 0.000 0.000 0.272 240 L C -1.327 175.547 176.870 0.007 0.000 0.980 240 L CA -0.393 54.456 54.840 0.015 0.000 0.831 240 L CB 1.943 44.021 42.059 0.032 0.000 1.253 240 L HN 0.530 nan 8.230 nan 0.000 0.406 241 V N 6.045 125.943 119.914 -0.028 0.000 2.435 241 V HA 0.460 4.580 4.120 0.000 0.000 0.290 241 V C 0.090 176.162 176.094 -0.037 0.000 1.030 241 V CA -0.409 61.875 62.300 -0.027 0.000 0.881 241 V CB 1.815 33.614 31.823 -0.040 0.000 0.983 241 V HN 0.571 nan 8.190 nan 0.000 0.445 242 I N 4.070 124.624 120.570 -0.026 0.000 2.339 242 I HA 0.724 4.894 4.170 0.000 0.000 0.290 242 I C 0.208 176.305 176.117 -0.033 0.000 0.994 242 I CA -0.286 60.991 61.300 -0.039 0.000 1.191 242 I CB 1.601 39.582 38.000 -0.032 0.000 1.343 242 I HN 0.718 nan 8.210 nan 0.000 0.458 243 A N 5.364 128.160 122.820 -0.040 0.000 2.393 243 A HA 0.674 4.994 4.320 0.000 0.000 0.306 243 A C -0.970 176.592 177.584 -0.037 0.000 1.050 243 A CA -0.690 51.325 52.037 -0.037 0.000 0.724 243 A CB 1.297 20.273 19.000 -0.039 0.000 1.248 243 A HN 0.713 nan 8.150 nan 0.000 0.424 244 D N 0.679 121.059 120.400 -0.034 0.000 2.564 244 D HA 0.337 4.977 4.640 0.000 0.000 0.273 244 D C 1.326 177.606 176.300 -0.033 0.000 1.192 244 D CA 0.224 54.206 54.000 -0.031 0.000 1.080 244 D CB 0.177 40.963 40.800 -0.024 0.000 1.160 244 D HN 0.440 nan 8.370 nan 0.000 0.607 245 S N -1.876 113.807 115.700 -0.028 0.000 2.469 245 S HA -0.019 4.451 4.470 0.000 0.000 0.238 245 S C 1.833 176.411 174.600 -0.036 0.000 0.998 245 S CA 0.774 58.956 58.200 -0.030 0.000 0.957 245 S CB -1.025 62.162 63.200 -0.022 0.000 0.764 245 S HN 0.693 nan 8.310 nan 0.000 0.514 246 G N 0.585 109.364 108.800 -0.035 0.000 2.985 246 G HA2 0.520 4.480 3.960 0.000 0.000 0.209 246 G HA3 0.520 4.480 3.960 0.000 0.000 0.209 246 G C 0.457 175.320 174.900 -0.063 0.000 1.165 246 G CA 0.108 45.184 45.100 -0.039 0.000 0.776 246 G HN 0.797 nan 8.290 nan 0.000 0.541 247 A N -0.035 122.744 122.820 -0.070 0.000 2.406 247 A HA 0.556 4.876 4.320 0.000 0.000 0.243 247 A C 0.320 177.811 177.584 -0.155 0.000 1.082 247 A CA 0.212 52.192 52.037 -0.095 0.000 0.786 247 A CB 0.300 19.260 19.000 -0.067 0.000 1.029 247 A HN 0.094 nan 8.150 nan 0.000 0.495 248 T N 3.440 117.845 114.554 -0.249 0.000 2.753 248 T HA 0.387 4.737 4.350 0.000 0.000 0.297 248 T C -1.883 172.649 174.700 -0.280 0.000 0.981 248 T CA -0.810 61.038 62.100 -0.419 0.000 0.956 248 T CB 1.287 69.523 68.868 -1.053 0.000 0.936 248 T HN 0.433 nan 8.240 nan 0.000 0.463 249 P HA -0.170 nan 4.420 nan 0.000 0.217 249 P C 1.222 178.483 177.300 -0.064 0.000 1.158 249 P CA 1.109 64.150 63.100 -0.099 0.000 0.887 249 P CB 0.236 31.886 31.700 -0.082 0.000 0.792 250 D N -2.082 118.265 120.400 -0.088 0.000 2.178 250 D HA -0.118 4.522 4.640 0.000 0.000 0.201 250 D C 1.750 178.161 176.300 0.186 0.000 0.980 250 D CA 0.949 54.965 54.000 0.027 0.000 0.842 250 D CB -0.507 40.319 40.800 0.043 0.000 0.948 250 D HN 0.099 nan 8.370 nan 0.000 0.472 251 F N 0.719 120.628 119.950 -0.068 0.000 2.113 251 F HA -0.094 4.433 4.527 0.000 0.000 0.297 251 F C 2.554 178.297 175.800 -0.094 0.000 1.103 251 F CA 0.102 58.046 58.000 -0.094 0.000 1.248 251 F CB -1.247 37.658 39.000 -0.157 0.000 0.999 251 F HN -0.160 nan 8.300 nan 0.000 0.475 252 V N 0.519 120.499 119.914 0.110 0.000 2.255 252 V HA -0.319 3.801 4.120 0.000 0.000 0.247 252 V C 2.719 178.816 176.094 0.005 0.000 1.051 252 V CA 1.953 64.266 62.300 0.022 0.000 1.018 252 V CB -1.524 30.293 31.823 -0.010 0.000 0.641 252 V HN 0.327 nan 8.190 nan 0.000 0.445 253 A N 0.705 123.533 122.820 0.014 0.000 1.940 253 A HA -0.240 4.080 4.320 0.000 0.000 0.219 253 A C 2.566 180.151 177.584 0.002 0.000 1.176 253 A CA 2.467 54.506 52.037 0.003 0.000 0.631 253 A CB -0.849 18.155 19.000 0.008 0.000 0.814 253 A HN 0.721 nan 8.150 nan 0.000 0.446 254 S N -0.065 115.649 115.700 0.023 0.000 2.382 254 S HA -0.202 4.268 4.470 0.000 0.000 0.228 254 S C 1.463 176.036 174.600 -0.044 0.000 1.027 254 S CA 1.543 59.744 58.200 0.002 0.000 0.991 254 S CB -0.488 62.724 63.200 0.021 0.000 0.823 254 S HN 0.554 nan 8.310 nan 0.000 0.469 255 D N 1.511 121.871 120.400 -0.066 0.000 2.162 255 D HA 0.095 4.735 4.640 0.000 0.000 0.203 255 D C 2.052 178.283 176.300 -0.115 0.000 0.967 255 D CA 0.827 54.751 54.000 -0.126 0.000 0.840 255 D CB -0.214 40.492 40.800 -0.155 0.000 0.972 255 D HN 0.397 nan 8.370 nan 0.000 0.482 256 L N 0.427 121.607 121.223 -0.073 0.000 2.046 256 L HA -0.128 4.212 4.340 0.000 0.000 0.208 256 L C 2.551 179.391 176.870 -0.050 0.000 1.077 256 L CA 0.711 55.515 54.840 -0.059 0.000 0.747 256 L CB -0.322 41.714 42.059 -0.039 0.000 0.896 256 L HN 0.013 nan 8.230 nan 0.000 0.432 257 L N -1.189 120.011 121.223 -0.039 0.000 2.156 257 L HA -0.125 4.215 4.340 0.000 0.000 0.208 257 L C 2.689 179.539 176.870 -0.034 0.000 1.095 257 L CA 0.596 55.420 54.840 -0.026 0.000 0.770 257 L CB -0.302 41.749 42.059 -0.014 0.000 0.914 257 L HN 0.160 nan 8.230 nan 0.000 0.439 258 S N -0.484 115.181 115.700 -0.059 0.000 2.370 258 S HA -0.271 4.199 4.470 0.000 0.000 0.226 258 S C 1.877 176.431 174.600 -0.077 0.000 1.033 258 S CA 1.472 59.630 58.200 -0.070 0.000 1.011 258 S CB -0.172 62.958 63.200 -0.117 0.000 0.852 258 S HN 0.364 nan 8.310 nan 0.000 0.457 259 Q N 1.626 121.361 119.800 -0.108 0.000 2.049 259 Q HA 0.138 4.478 4.340 0.000 0.000 0.198 259 Q C 2.103 178.099 176.000 -0.007 0.000 0.971 259 Q CA 1.668 57.413 55.803 -0.096 0.000 0.833 259 Q CB -0.776 27.890 28.738 -0.119 0.000 0.896 259 Q HN 0.434 nan 8.270 nan 0.000 0.434 260 A N 1.125 123.939 122.820 -0.009 0.000 1.948 260 A HA -0.258 4.062 4.320 0.000 0.000 0.220 260 A C 1.825 179.427 177.584 0.030 0.000 1.177 260 A CA 1.926 53.971 52.037 0.013 0.000 0.636 260 A CB -0.899 18.102 19.000 0.002 0.000 0.815 260 A HN 0.711 nan 8.150 nan 0.000 0.449 261 E N -1.364 118.850 120.200 0.024 0.000 2.482 261 E HA -0.195 4.155 4.350 0.000 0.000 0.196 261 E C 1.673 178.293 176.600 0.034 0.000 1.047 261 E CA 0.711 57.123 56.400 0.021 0.000 0.869 261 E CB -0.501 29.204 29.700 0.009 0.000 0.836 261 E HN 0.798 nan 8.360 nan 0.000 0.520 262 H N 1.355 120.402 119.070 -0.038 0.000 2.423 262 H HA 0.091 4.647 4.556 0.000 0.000 0.297 262 H C 0.471 175.784 175.328 -0.025 0.000 1.075 262 H CA 1.662 57.686 56.048 -0.040 0.000 1.342 262 H CB 0.440 30.174 29.762 -0.047 0.000 1.395 262 H HN 0.287 nan 8.280 nan 0.000 0.530 263 G N -0.480 108.383 108.800 0.105 0.000 2.519 263 G HA2 0.122 4.082 3.960 0.000 0.000 0.292 263 G HA3 0.122 4.082 3.960 0.000 0.000 0.292 263 G C -2.408 172.523 174.900 0.052 0.000 1.507 263 G CA -0.421 44.711 45.100 0.053 0.000 0.806 263 G HN -0.108 nan 8.290 nan 0.000 0.523 264 P HA 0.028 nan 4.420 nan 0.000 0.226 264 P C 0.205 177.519 177.300 0.022 0.000 1.153 264 P CA 0.947 64.058 63.100 0.018 0.000 0.777 264 P CB 0.446 32.150 31.700 0.007 0.000 0.794 265 D N -0.611 119.804 120.400 0.025 0.000 2.340 265 D HA 0.082 4.722 4.640 0.000 0.000 0.217 265 D C 0.339 176.661 176.300 0.037 0.000 1.081 265 D CA 0.194 54.205 54.000 0.018 0.000 0.842 265 D CB 0.122 40.913 40.800 -0.014 0.000 0.934 265 D HN 0.072 nan 8.370 nan 0.000 0.511 266 S N 1.458 117.192 115.700 0.055 0.000 2.562 266 S HA 0.071 4.541 4.470 0.000 0.000 0.281 266 S C 0.399 175.032 174.600 0.055 0.000 1.333 266 S CA -0.226 58.009 58.200 0.057 0.000 1.052 266 S CB 0.968 64.205 63.200 0.062 0.000 0.884 266 S HN 0.066 nan 8.310 nan 0.000 0.506 267 Q N 2.204 122.049 119.800 0.075 0.000 2.314 267 Q HA 0.439 4.779 4.340 0.000 0.000 0.259 267 Q C -0.948 175.086 176.000 0.056 0.000 0.951 267 Q CA -0.369 55.486 55.803 0.087 0.000 0.909 267 Q CB 1.568 30.412 28.738 0.177 0.000 1.236 267 Q HN 0.375 nan 8.270 nan 0.000 0.444 268 V N 5.085 125.009 119.914 0.016 0.000 2.443 268 V HA 0.545 4.665 4.120 0.000 0.000 0.293 268 V C -0.257 175.813 176.094 -0.040 0.000 1.021 268 V CA -0.507 61.788 62.300 -0.009 0.000 0.848 268 V CB 1.553 33.370 31.823 -0.011 0.000 0.998 268 V HN 0.622 nan 8.190 nan 0.000 0.424 269 I N 5.639 126.171 120.570 -0.063 0.000 2.582 269 I HA 0.528 4.698 4.170 0.000 0.000 0.292 269 I C -1.104 174.962 176.117 -0.086 0.000 1.066 269 I CA -0.819 60.419 61.300 -0.104 0.000 1.053 269 I CB 2.270 40.144 38.000 -0.209 0.000 1.241 269 I HN 0.435 nan 8.210 nan 0.000 0.421 270 L N 7.430 128.605 121.223 -0.080 0.000 2.346 270 L HA 0.671 5.011 4.340 0.000 0.000 0.276 270 L C -1.552 175.265 176.870 -0.090 0.000 1.006 270 L CA -0.199 54.598 54.840 -0.071 0.000 0.817 270 L CB 1.520 43.548 42.059 -0.050 0.000 1.272 270 L HN 0.448 nan 8.230 nan 0.000 0.421 271 L N 4.556 125.721 121.223 -0.098 0.000 2.356 271 L HA 0.726 5.066 4.340 0.000 0.000 0.277 271 L C -0.350 176.467 176.870 -0.088 0.000 0.996 271 L CA -0.433 54.334 54.840 -0.122 0.000 0.822 271 L CB 1.935 43.893 42.059 -0.168 0.000 1.256 271 L HN 0.710 nan 8.230 nan 0.000 0.413 272 T N 2.147 116.656 114.554 -0.074 0.000 2.982 272 T HA 0.435 4.785 4.350 0.000 0.000 0.321 272 T C -2.496 172.179 174.700 -0.042 0.000 1.229 272 T CA -1.218 60.850 62.100 -0.053 0.000 1.044 272 T CB 2.288 71.131 68.868 -0.040 0.000 1.184 272 T HN 0.221 nan 8.240 nan 0.000 0.477 273 P HA 0.285 nan 4.420 nan 0.000 0.241 273 P C -0.389 176.904 177.300 -0.012 0.000 1.191 273 P CA 0.136 63.223 63.100 -0.022 0.000 0.771 273 P CB 0.211 31.899 31.700 -0.021 0.000 0.929 274 A N -0.157 122.654 122.820 -0.016 0.000 2.273 274 A HA 0.628 4.948 4.320 0.000 0.000 0.315 274 A C 1.383 178.961 177.584 -0.010 0.000 1.256 274 A CA -0.211 51.819 52.037 -0.012 0.000 0.851 274 A CB 0.824 19.813 19.000 -0.018 0.000 1.172 274 A HN 0.055 nan 8.150 nan 0.000 0.508 275 A N 2.357 125.175 122.820 -0.003 0.000 1.972 275 A HA -0.024 4.296 4.320 0.000 0.000 0.219 275 A C 1.121 178.701 177.584 -0.007 0.000 1.169 275 A CA 1.688 53.724 52.037 -0.001 0.000 0.635 275 A CB -0.588 18.415 19.000 0.004 0.000 0.810 275 A HN 0.873 nan 8.150 nan 0.000 0.446 279 R N 0.573 121.065 120.500 -0.014 0.000 2.066 279 R HA -0.015 4.325 4.340 0.000 0.000 0.232 279 R C 2.226 178.516 176.300 -0.016 0.000 1.131 279 R CA 1.695 57.788 56.100 -0.012 0.000 0.955 279 R CB -0.231 30.063 30.300 -0.010 0.000 0.851 279 R HN 0.503 nan 8.270 nan 0.000 0.432 280 R N 0.091 120.578 120.500 -0.022 0.000 2.096 280 R HA -0.086 4.254 4.340 0.000 0.000 0.235 280 R C 2.267 178.551 176.300 -0.027 0.000 1.127 280 R CA 1.172 57.256 56.100 -0.027 0.000 0.968 280 R CB -0.303 29.976 30.300 -0.036 0.000 0.861 280 R HN 0.057 nan 8.270 nan 0.000 0.440 281 V N 0.766 120.663 119.914 -0.027 0.000 2.358 281 V HA -0.200 3.921 4.120 0.000 0.000 0.246 281 V C 2.389 178.473 176.094 -0.017 0.000 1.047 281 V CA 1.867 64.153 62.300 -0.025 0.000 1.035 281 V CB -0.632 31.175 31.823 -0.026 0.000 0.658 281 V HN 0.407 nan 8.190 nan 0.000 0.452 282 A N -0.259 122.552 122.820 -0.015 0.000 1.908 282 A HA -0.277 4.043 4.320 0.000 0.000 0.218 282 A C 2.167 179.746 177.584 -0.009 0.000 1.181 282 A CA 2.113 54.144 52.037 -0.011 0.000 0.627 282 A CB -0.477 18.518 19.000 -0.009 0.000 0.818 282 A HN 0.637 nan 8.150 nan 0.000 0.445 283 E N -0.442 119.752 120.200 -0.011 0.000 2.072 283 E HA -0.075 4.275 4.350 0.000 0.000 0.191 283 E C 2.351 178.947 176.600 -0.008 0.000 0.985 283 E CA 0.868 57.262 56.400 -0.009 0.000 0.801 283 E CB -0.296 29.398 29.700 -0.011 0.000 0.750 283 E HN 0.616 nan 8.360 nan 0.000 0.452 284 A N 1.006 123.820 122.820 -0.011 0.000 1.933 284 A HA -0.154 4.166 4.320 0.000 0.000 0.218 284 A C 2.488 180.072 177.584 -0.001 0.000 1.175 284 A CA 1.137 53.170 52.037 -0.006 0.000 0.628 284 A CB -0.658 18.336 19.000 -0.011 0.000 0.814 284 A HN 0.116 nan 8.150 nan 0.000 0.444 285 V N -0.212 119.700 119.914 -0.004 0.000 2.343 285 V HA -0.243 3.877 4.120 0.000 0.000 0.247 285 V C 2.605 178.699 176.094 -0.001 0.000 1.051 285 V CA 2.459 64.757 62.300 -0.003 0.000 1.036 285 V CB -0.637 31.183 31.823 -0.006 0.000 0.654 285 V HN 0.668 nan 8.190 nan 0.000 0.451 286 E N 0.143 120.343 120.200 -0.001 0.000 2.077 286 E HA -0.174 4.176 4.350 0.000 0.000 0.193 286 E C 2.400 179.001 176.600 0.002 0.000 0.989 286 E CA 1.158 57.559 56.400 0.000 0.000 0.800 286 E CB -0.138 29.561 29.700 -0.001 0.000 0.746 286 E HN 0.326 nan 8.360 nan 0.000 0.452 287 R N 0.129 120.630 120.500 0.002 0.000 2.092 287 R HA -0.070 4.270 4.340 0.000 0.000 0.231 287 R C 2.371 178.675 176.300 0.007 0.000 1.119 287 R CA 1.345 57.448 56.100 0.004 0.000 0.970 287 R CB -0.576 29.727 30.300 0.004 0.000 0.864 287 R HN 0.421 nan 8.270 nan 0.000 0.440 288 Q N 0.298 120.103 119.800 0.008 0.000 2.123 288 Q HA -0.071 4.269 4.340 0.000 0.000 0.199 288 Q C 2.083 178.088 176.000 0.009 0.000 0.966 288 Q CA 0.720 56.530 55.803 0.012 0.000 0.845 288 Q CB -0.170 28.577 28.738 0.015 0.000 0.907 288 Q HN 0.081 nan 8.270 nan 0.000 0.439 289 L N 0.832 122.058 121.223 0.006 0.000 2.079 289 L HA -0.144 4.196 4.340 0.000 0.000 0.210 289 L C 2.105 178.978 176.870 0.005 0.000 1.081 289 L CA 2.017 56.860 54.840 0.005 0.000 0.752 289 L CB -0.676 41.385 42.059 0.003 0.000 0.896 289 L HN 0.117 nan 8.230 nan 0.000 0.433 290 A N -1.105 121.719 122.820 0.006 0.000 2.019 290 A HA -0.168 4.152 4.320 0.000 0.000 0.219 290 A C 2.042 179.630 177.584 0.007 0.000 1.164 290 A CA 1.638 53.678 52.037 0.006 0.000 0.644 290 A CB -0.518 18.485 19.000 0.005 0.000 0.805 290 A HN 0.649 nan 8.150 nan 0.000 0.449 291 E N -0.602 119.603 120.200 0.008 0.000 2.479 291 E HA 0.153 4.503 4.350 0.000 0.000 0.193 291 E C -0.483 176.122 176.600 0.008 0.000 1.049 291 E CA -0.202 56.203 56.400 0.009 0.000 0.870 291 E CB 0.033 29.740 29.700 0.011 0.000 0.944 291 E HN 0.540 nan 8.360 nan 0.000 0.492 292 L N 1.995 123.223 121.223 0.008 0.000 2.281 292 L HA 0.137 4.477 4.340 0.000 0.000 0.285 292 L C -1.451 175.423 176.870 0.007 0.000 1.074 292 L CA -1.595 53.249 54.840 0.007 0.000 0.817 292 L CB 0.667 42.730 42.059 0.006 0.000 1.168 292 L HN -0.179 nan 8.230 nan 0.000 0.434 293 P HA -0.128 nan 4.420 nan 0.000 0.216 293 P C -0.155 177.149 177.300 0.007 0.000 1.153 293 P CA 1.438 64.542 63.100 0.007 0.000 0.858 293 P CB 0.216 31.921 31.700 0.007 0.000 0.789 294 R N -1.248 119.256 120.500 0.006 0.000 2.547 294 R HA 0.520 4.860 4.340 0.000 0.000 0.280 294 R C 0.141 176.444 176.300 0.005 0.000 1.630 294 R CA -0.198 55.906 56.100 0.006 0.000 1.470 294 R CB 0.966 31.270 30.300 0.005 0.000 1.178 294 R HN -0.026 nan 8.270 nan 0.000 0.591 295 A N 1.525 124.348 122.820 0.005 0.000 2.275 295 A HA 0.039 4.359 4.320 0.000 0.000 0.212 295 A C 1.362 178.949 177.584 0.005 0.000 1.201 295 A CA 0.157 52.197 52.037 0.005 0.000 0.843 295 A CB 0.085 19.088 19.000 0.005 0.000 0.873 295 A HN 0.619 nan 8.150 nan 0.000 0.492 296 E N -0.356 119.847 120.200 0.005 0.000 2.085 296 E HA -0.148 4.202 4.350 0.000 0.000 0.194 296 E C 1.738 178.341 176.600 0.005 0.000 0.994 296 E CA 1.742 58.145 56.400 0.005 0.000 0.801 296 E CB -0.290 29.413 29.700 0.005 0.000 0.743 296 E HN 0.508 nan 8.360 nan 0.000 0.453 297 T N 0.770 115.326 114.554 0.003 0.000 2.708 297 T HA -0.157 4.193 4.350 0.000 0.000 0.266 297 T C 2.003 176.708 174.700 0.008 0.000 1.037 297 T CA 1.281 63.383 62.100 0.004 0.000 1.146 297 T CB -0.257 68.609 68.868 -0.002 0.000 0.865 297 T HN 0.279 nan 8.240 nan 0.000 0.435 298 A N 1.625 124.449 122.820 0.007 0.000 1.902 298 A HA -0.118 4.202 4.320 0.000 0.000 0.217 298 A C 2.281 179.869 177.584 0.007 0.000 1.181 298 A CA 1.859 53.901 52.037 0.008 0.000 0.623 298 A CB -0.618 18.386 19.000 0.005 0.000 0.818 298 A HN 0.431 nan 8.150 nan 0.000 0.443 299 R N -0.896 119.608 120.500 0.006 0.000 2.083 299 R HA -0.248 4.092 4.340 0.000 0.000 0.237 299 R C 2.392 178.696 176.300 0.007 0.000 1.137 299 R CA 2.072 58.176 56.100 0.006 0.000 0.951 299 R CB -0.284 30.019 30.300 0.005 0.000 0.851 299 R HN 0.525 nan 8.270 nan 0.000 0.434 300 Q N 0.347 120.152 119.800 0.008 0.000 2.061 300 Q HA -0.102 4.239 4.340 0.000 0.000 0.204 300 Q C 1.857 177.864 176.000 0.012 0.000 0.984 300 Q CA 2.381 58.190 55.803 0.010 0.000 0.846 300 Q CB -0.436 28.308 28.738 0.009 0.000 0.902 300 Q HN 0.450 nan 8.270 nan 0.000 0.421 301 A N 0.011 122.840 122.820 0.015 0.000 1.933 301 A HA -0.127 4.193 4.320 0.000 0.000 0.218 301 A C 2.114 179.707 177.584 0.014 0.000 1.175 301 A CA 1.407 53.455 52.037 0.019 0.000 0.628 301 A CB -0.799 18.215 19.000 0.024 0.000 0.814 301 A HN 0.459 nan 8.150 nan 0.000 0.444 302 L N 0.056 121.285 121.223 0.009 0.000 2.265 302 L HA -0.175 4.165 4.340 0.000 0.000 0.215 302 L C 1.815 178.688 176.870 0.006 0.000 1.117 302 L CA 0.664 55.507 54.840 0.005 0.000 0.782 302 L CB -0.581 41.480 42.059 0.003 0.000 0.914 302 L HN 0.383 nan 8.230 nan 0.000 0.441 303 N N 0.384 119.089 118.700 0.009 0.000 2.381 303 N HA -0.096 4.644 4.740 0.000 0.000 0.182 303 N C 1.537 177.054 175.510 0.012 0.000 1.025 303 N CA 1.294 54.349 53.050 0.009 0.000 0.888 303 N CB 0.027 38.520 38.487 0.010 0.000 0.965 303 N HN 0.305 nan 8.380 nan 0.000 0.438 304 A N 0.337 123.166 122.820 0.015 0.000 2.387 304 A HA 0.146 4.466 4.320 0.000 0.000 0.234 304 A C 0.847 178.439 177.584 0.013 0.000 1.253 304 A CA -0.334 51.714 52.037 0.019 0.000 0.894 304 A CB -0.155 18.862 19.000 0.029 0.000 0.963 304 A HN 0.241 nan 8.150 nan 0.000 0.508 305 S N -0.019 115.685 115.700 0.006 0.000 2.579 305 S HA 0.517 4.988 4.470 0.000 0.000 0.275 305 S C -0.097 174.498 174.600 -0.008 0.000 1.345 305 S CA -0.242 57.955 58.200 -0.005 0.000 1.031 305 S CB 0.724 63.919 63.200 -0.008 0.000 0.892 305 S HN 0.407 nan 8.310 nan 0.000 0.529 306 R N 1.101 121.587 120.500 -0.023 0.000 2.483 306 R HA 0.442 4.782 4.340 0.000 0.000 0.303 306 R C -1.213 175.071 176.300 -0.027 0.000 0.987 306 R CA -0.283 55.806 56.100 -0.018 0.000 0.881 306 R CB 1.393 31.679 30.300 -0.023 0.000 1.177 306 R HN 0.609 nan 8.270 nan 0.000 0.451 307 L N 5.731 126.947 121.223 -0.012 0.000 2.277 307 L HA 0.510 4.850 4.340 0.000 0.000 0.284 307 L C -0.428 176.442 176.870 -0.001 0.000 1.028 307 L CA -0.464 54.366 54.840 -0.016 0.000 0.835 307 L CB 0.818 42.870 42.059 -0.012 0.000 1.215 307 L HN 0.526 nan 8.230 nan 0.000 0.425 308 I N 3.557 124.119 120.570 -0.013 0.000 2.378 308 I HA 0.338 4.508 4.170 0.000 0.000 0.291 308 I C -0.111 176.005 176.117 -0.001 0.000 0.992 308 I CA -0.821 60.489 61.300 0.016 0.000 1.154 308 I CB 2.355 40.353 38.000 -0.004 0.000 1.315 308 I HN 0.176 nan 8.210 nan 0.000 0.448 309 V N 5.264 125.204 119.914 0.043 0.000 2.407 309 V HA 0.363 4.483 4.120 0.000 0.000 0.278 309 V C 0.567 176.695 176.094 0.058 0.000 1.037 309 V CA -0.323 61.996 62.300 0.031 0.000 0.900 309 V CB 1.318 33.164 31.823 0.038 0.000 0.983 309 V HN 0.920 nan 8.190 nan 0.000 0.459 310 T N 1.402 115.957 114.554 0.003 0.000 2.870 310 T HA 0.405 4.755 4.350 0.000 0.000 0.277 310 T C 0.900 175.617 174.700 0.027 0.000 1.000 310 T CA -0.573 61.529 62.100 0.002 0.000 0.982 310 T CB 1.805 70.602 68.868 -0.119 0.000 1.249 310 T HN 0.508 nan 8.240 nan 0.000 0.589 311 K N 0.230 120.653 120.400 0.039 0.000 2.116 311 K HA 0.027 4.347 4.320 0.000 0.000 0.203 311 K C -0.196 176.410 176.600 0.010 0.000 1.052 311 K CA 1.383 57.692 56.287 0.037 0.000 0.952 311 K CB -0.063 32.468 32.500 0.053 0.000 0.729 311 K HN 0.864 nan 8.250 nan 0.000 0.446 312 D N -2.702 117.694 120.400 -0.008 0.000 2.713 312 D HA 0.013 4.653 4.640 0.000 0.000 0.306 312 D C 0.556 176.836 176.300 -0.033 0.000 1.299 312 D CA -0.691 53.300 54.000 -0.015 0.000 0.823 312 D CB 0.106 40.903 40.800 -0.005 0.000 1.353 312 D HN -0.090 nan 8.370 nan 0.000 0.447 313 L N -0.017 121.189 121.223 -0.028 0.000 2.141 313 L HA -0.001 4.339 4.340 0.000 0.000 0.209 313 L C 2.462 179.309 176.870 -0.039 0.000 1.094 313 L CA 1.595 56.413 54.840 -0.036 0.000 0.763 313 L CB -0.611 41.433 42.059 -0.025 0.000 0.908 313 L HN 0.649 nan 8.230 nan 0.000 0.437 314 A N -0.361 122.443 122.820 -0.027 0.000 1.933 314 A HA -0.291 4.029 4.320 0.000 0.000 0.218 314 A C 2.260 179.821 177.584 -0.038 0.000 1.175 314 A CA 1.863 53.886 52.037 -0.023 0.000 0.628 314 A CB -0.503 18.492 19.000 -0.010 0.000 0.814 314 A HN 0.481 nan 8.150 nan 0.000 0.444 315 Q N -0.950 118.822 119.800 -0.047 0.000 2.119 315 Q HA -0.165 4.175 4.340 0.000 0.000 0.201 315 Q C 2.089 177.991 176.000 -0.163 0.000 0.972 315 Q CA 1.719 57.473 55.803 -0.082 0.000 0.847 315 Q CB -0.357 28.341 28.738 -0.067 0.000 0.903 315 Q HN 0.703 nan 8.270 nan 0.000 0.433 316 C N -0.597 118.615 119.300 -0.147 0.000 2.413 316 C HA -0.110 4.350 4.460 0.000 0.000 0.276 316 C C 2.582 177.493 174.990 -0.130 0.000 1.248 316 C CA 0.651 59.568 59.018 -0.169 0.000 1.742 316 C CB -0.866 26.805 27.740 -0.114 0.000 2.017 316 C HN 0.414 nan 8.230 nan 0.000 0.481 317 V N 0.787 120.653 119.914 -0.081 0.000 2.343 317 V HA -0.225 3.895 4.120 0.000 0.000 0.247 317 V C 2.339 178.403 176.094 -0.050 0.000 1.051 317 V CA 2.034 64.303 62.300 -0.050 0.000 1.036 317 V CB -0.737 31.069 31.823 -0.029 0.000 0.654 317 V HN 0.611 nan 8.190 nan 0.000 0.451 318 E N -0.039 120.126 120.200 -0.058 0.000 2.058 318 E HA -0.217 4.133 4.350 0.000 0.000 0.194 318 E C 2.158 178.724 176.600 -0.057 0.000 0.997 318 E CA 1.671 58.048 56.400 -0.039 0.000 0.801 318 E CB -0.224 29.463 29.700 -0.023 0.000 0.746 318 E HN 0.563 nan 8.360 nan 0.000 0.450 319 I N 0.484 120.964 120.570 -0.151 0.000 2.202 319 I HA -0.259 3.911 4.170 0.000 0.000 0.242 319 I C 2.676 178.737 176.117 -0.094 0.000 1.091 319 I CA 0.797 61.970 61.300 -0.213 0.000 1.368 319 I CB -0.291 37.389 38.000 -0.533 0.000 1.058 319 I HN 0.060 nan 8.210 nan 0.000 0.410 320 S N 1.018 116.670 115.700 -0.081 0.000 2.370 320 S HA -0.200 4.270 4.470 0.000 0.000 0.226 320 S C 1.894 176.530 174.600 0.060 0.000 1.033 320 S CA 1.787 59.992 58.200 0.010 0.000 1.011 320 S CB -0.326 62.872 63.200 -0.003 0.000 0.852 320 S HN 0.393 nan 8.310 nan 0.000 0.457 321 N N 1.037 119.751 118.700 0.023 0.000 2.166 321 N HA -0.103 4.637 4.740 0.000 0.000 0.186 321 N C 1.810 177.341 175.510 0.036 0.000 1.019 321 N CA 1.272 54.337 53.050 0.025 0.000 0.856 321 N CB -0.668 37.826 38.487 0.011 0.000 0.993 321 N HN 0.509 nan 8.380 nan 0.000 0.426 322 Q N -0.205 119.625 119.800 0.049 0.000 2.119 322 Q HA -0.111 4.229 4.340 0.000 0.000 0.201 322 Q C 1.845 177.904 176.000 0.099 0.000 0.972 322 Q CA 1.295 57.137 55.803 0.065 0.000 0.847 322 Q CB -0.487 28.301 28.738 0.084 0.000 0.903 322 Q HN 0.462 nan 8.270 nan 0.000 0.433 323 Y N -0.311 119.977 120.300 -0.021 0.000 2.206 323 Y HA 0.142 4.692 4.550 0.000 0.000 0.292 323 Y C 1.055 176.942 175.900 -0.021 0.000 1.123 323 Y CA 1.651 59.740 58.100 -0.019 0.000 1.142 323 Y CB -0.188 38.260 38.460 -0.021 0.000 1.006 323 Y HN 0.245 nan 8.280 nan 0.000 0.518 324 G N 2.030 110.847 108.800 0.028 0.000 2.385 324 G HA2 -0.207 3.753 3.960 0.000 0.000 0.294 324 G HA3 -0.207 3.753 3.960 0.000 0.000 0.294 324 G C -2.486 172.351 174.900 -0.105 0.000 1.070 324 G CA -0.076 44.990 45.100 -0.056 0.000 1.172 324 G HN 0.408 nan 8.290 nan 0.000 0.516 325 P HA 0.121 nan 4.420 nan 0.000 0.271 325 P C 0.964 178.295 177.300 0.052 0.000 1.216 325 P CA -0.012 63.180 63.100 0.153 0.000 0.776 325 P CB 1.295 33.177 31.700 0.303 0.000 0.881 326 E N 2.609 122.819 120.200 0.018 0.000 2.049 326 E HA -0.218 4.132 4.350 0.000 0.000 0.198 326 E C -0.242 176.263 176.600 -0.159 0.000 1.007 326 E CA 1.324 57.660 56.400 -0.107 0.000 0.809 326 E CB -0.121 29.478 29.700 -0.168 0.000 0.749 326 E HN 0.630 nan 8.360 nan 0.000 0.450 327 H N -0.785 118.352 119.070 0.112 0.000 2.489 327 H HA 0.435 4.991 4.556 0.000 0.000 0.343 327 H C -1.183 174.236 175.328 0.152 0.000 1.086 327 H CA -0.851 55.302 56.048 0.174 0.000 1.198 327 H CB 1.809 31.617 29.762 0.077 0.000 1.490 327 H HN 0.060 nan 8.280 nan 0.000 0.504 328 L N 4.406 125.827 121.223 0.330 0.000 2.349 328 L HA 0.520 4.860 4.340 0.000 0.000 0.278 328 L C -1.471 175.562 176.870 0.273 0.000 0.996 328 L CA -0.346 54.625 54.840 0.219 0.000 0.825 328 L CB 0.734 42.883 42.059 0.149 0.000 1.243 328 L HN 0.649 nan 8.230 nan 0.000 0.412 329 I N 6.594 127.255 120.570 0.152 0.000 2.389 329 I HA 0.395 4.565 4.170 0.000 0.000 0.288 329 I C -0.624 175.534 176.117 0.068 0.000 0.999 329 I CA -0.438 60.938 61.300 0.125 0.000 1.129 329 I CB 1.623 39.616 38.000 -0.011 0.000 1.288 329 I HN 0.517 nan 8.210 nan 0.000 0.444 330 I N 6.498 127.113 120.570 0.076 0.000 2.371 330 I HA 0.258 4.428 4.170 0.000 0.000 0.282 330 I C -0.179 175.945 176.117 0.013 0.000 1.031 330 I CA -0.344 60.976 61.300 0.033 0.000 1.180 330 I CB 0.876 38.896 38.000 0.034 0.000 1.336 330 I HN 0.552 nan 8.210 nan 0.000 0.467 331 Q N 5.572 125.368 119.800 -0.007 0.000 2.834 331 Q HA 0.260 4.600 4.340 0.000 0.000 0.271 331 Q C -0.155 175.829 176.000 -0.026 0.000 1.196 331 Q CA -0.354 55.434 55.803 -0.025 0.000 1.063 331 Q CB 0.999 29.719 28.738 -0.030 0.000 1.265 331 Q HN 0.764 nan 8.270 nan 0.000 0.526 332 T N -3.903 110.641 114.554 -0.018 0.000 2.887 332 T HA 0.401 4.751 4.350 0.000 0.000 0.292 332 T C 0.690 175.385 174.700 -0.007 0.000 1.087 332 T CA -0.902 61.189 62.100 -0.015 0.000 1.009 332 T CB 2.019 70.879 68.868 -0.012 0.000 1.203 332 T HN 0.301 nan 8.240 nan 0.000 0.518 333 R N 0.314 120.811 120.500 -0.004 0.000 2.080 333 R HA 0.010 4.350 4.340 0.000 0.000 0.236 333 R C 0.547 176.854 176.300 0.012 0.000 1.137 333 R CA 1.483 57.586 56.100 0.006 0.000 0.943 333 R CB -0.133 30.170 30.300 0.005 0.000 0.846 333 R HN 0.591 nan 8.270 nan 0.000 0.431 334 N N 0.145 118.850 118.700 0.008 0.000 2.839 334 N HA 0.114 4.854 4.740 0.000 0.000 0.314 334 N C 0.112 175.628 175.510 0.010 0.000 1.449 334 N CA 0.228 53.284 53.050 0.011 0.000 1.050 334 N CB 1.408 39.901 38.487 0.009 0.000 1.364 334 N HN 0.217 nan 8.380 nan 0.000 0.512 335 A N 1.039 123.866 122.820 0.011 0.000 1.892 335 A HA -0.233 4.087 4.320 0.000 0.000 0.218 335 A C 2.279 179.871 177.584 0.013 0.000 1.188 335 A CA 1.387 53.431 52.037 0.012 0.000 0.631 335 A CB -0.336 18.674 19.000 0.015 0.000 0.822 335 A HN 0.400 nan 8.150 nan 0.000 0.447 336 R N -0.084 120.426 120.500 0.016 0.000 2.096 336 R HA -0.162 4.178 4.340 0.000 0.000 0.235 336 R C 1.952 178.258 176.300 0.010 0.000 1.127 336 R CA 1.744 57.852 56.100 0.013 0.000 0.968 336 R CB -0.299 30.010 30.300 0.016 0.000 0.861 336 R HN 0.706 nan 8.270 nan 0.000 0.440 337 E N 0.347 120.553 120.200 0.010 0.000 2.204 337 E HA -0.182 4.168 4.350 0.000 0.000 0.195 337 E C 1.905 178.508 176.600 0.006 0.000 0.990 337 E CA 1.003 57.408 56.400 0.008 0.000 0.821 337 E CB -0.041 29.664 29.700 0.008 0.000 0.750 337 E HN 0.420 nan 8.360 nan 0.000 0.477 338 L N 0.572 121.798 121.223 0.005 0.000 2.291 338 L HA -0.109 4.231 4.340 0.000 0.000 0.214 338 L C 2.289 179.161 176.870 0.004 0.000 1.120 338 L CA 0.254 55.096 54.840 0.003 0.000 0.799 338 L CB -0.222 41.838 42.059 0.001 0.000 0.925 338 L HN 0.046 nan 8.230 nan 0.000 0.446 339 V N -0.277 119.641 119.914 0.006 0.000 2.392 339 V HA -0.309 3.811 4.120 0.000 0.000 0.249 339 V C 2.053 178.150 176.094 0.005 0.000 1.059 339 V CA 1.826 64.129 62.300 0.005 0.000 1.051 339 V CB -0.512 31.312 31.823 0.003 0.000 0.658 339 V HN 0.468 nan 8.190 nan 0.000 0.455 340 D N 0.550 120.952 120.400 0.004 0.000 2.218 340 D HA -0.112 4.528 4.640 0.000 0.000 0.204 340 D C 2.284 178.586 176.300 0.004 0.000 0.976 340 D CA 1.801 55.804 54.000 0.004 0.000 0.853 340 D CB -0.043 40.760 40.800 0.004 0.000 0.939 340 D HN 0.654 nan 8.370 nan 0.000 0.481 341 S N -0.299 115.403 115.700 0.003 0.000 2.548 341 S HA 0.040 4.510 4.470 0.000 0.000 0.215 341 S C 0.904 175.506 174.600 0.003 0.000 0.976 341 S CA -0.354 57.847 58.200 0.002 0.000 0.908 341 S CB 0.282 63.482 63.200 0.000 0.000 0.781 341 S HN -0.038 nan 8.310 nan 0.000 0.519 342 I N 4.191 124.764 120.570 0.005 0.000 2.396 342 I HA 0.162 4.332 4.170 0.000 0.000 0.289 342 I C 1.539 177.660 176.117 0.007 0.000 1.056 342 I CA 0.192 61.497 61.300 0.008 0.000 1.365 342 I CB 0.574 38.582 38.000 0.012 0.000 1.407 342 I HN 0.408 nan 8.210 nan 0.000 0.509 343 T N 0.799 115.358 114.554 0.007 0.000 3.014 343 T HA 0.127 4.477 4.350 0.000 0.000 0.250 343 T C 0.698 175.400 174.700 0.004 0.000 1.060 343 T CA -0.179 61.924 62.100 0.005 0.000 1.040 343 T CB 0.346 69.216 68.868 0.003 0.000 0.971 343 T HN 0.437 nan 8.240 nan 0.000 0.497 344 S N 0.050 115.754 115.700 0.007 0.000 2.649 344 S HA 0.719 5.189 4.470 0.000 0.000 0.274 344 S C -1.495 173.112 174.600 0.011 0.000 1.176 344 S CA -0.025 58.177 58.200 0.002 0.000 0.988 344 S CB 0.993 64.187 63.200 -0.010 0.000 1.071 344 S HN 1.056 nan 8.310 nan 0.000 0.478 345 A N 2.790 125.616 122.820 0.010 0.000 2.586 345 A HA 0.636 4.956 4.320 0.000 0.000 0.298 345 A C 0.614 178.205 177.584 0.011 0.000 1.013 345 A CA -0.187 51.863 52.037 0.022 0.000 0.707 345 A CB -0.021 19.007 19.000 0.046 0.000 1.276 345 A HN 1.140 nan 8.150 nan 0.000 0.414 346 G N 0.145 108.945 108.800 -0.000 0.000 2.424 346 G HA2 0.366 4.326 3.960 0.000 0.000 0.214 346 G HA3 0.366 4.326 3.960 0.000 0.000 0.214 346 G C 0.731 175.630 174.900 -0.001 0.000 1.202 346 G CA 1.422 46.513 45.100 -0.015 0.000 0.793 346 G HN 1.613 nan 8.290 nan 0.000 0.534 347 S N -1.262 114.450 115.700 0.021 0.000 2.548 347 S HA 0.564 5.034 4.470 0.000 0.000 0.276 347 S C -1.195 173.422 174.600 0.029 0.000 1.129 347 S CA -0.617 57.577 58.200 -0.010 0.000 0.931 347 S CB 1.858 65.076 63.200 0.030 0.000 1.068 347 S HN 0.143 nan 8.310 nan 0.000 0.480 348 V N 4.878 124.701 119.914 -0.151 0.000 2.513 348 V HA 0.650 4.770 4.120 0.000 0.000 0.299 348 V C -1.228 174.692 176.094 -0.291 0.000 1.035 348 V CA -0.573 61.698 62.300 -0.049 0.000 0.889 348 V CB 1.241 33.049 31.823 -0.025 0.000 0.988 348 V HN 0.807 nan 8.190 nan 0.000 0.440 349 F N 4.406 124.365 119.950 0.016 0.000 2.493 349 F HA 0.668 5.195 4.527 -0.000 0.000 0.329 349 F C -0.152 175.643 175.800 -0.009 0.000 1.126 349 F CA -0.681 57.319 58.000 0.000 0.000 0.937 349 F CB 1.581 40.580 39.000 -0.002 0.000 1.146 349 F HN 0.161 nan 8.300 nan 0.000 0.442 350 L N 3.129 124.417 121.223 0.108 0.000 2.322 350 L HA 0.856 5.196 4.340 0.000 0.000 0.281 350 L C 0.474 177.374 176.870 0.049 0.000 1.014 350 L CA -0.675 54.203 54.840 0.064 0.000 0.815 350 L CB 1.351 43.428 42.059 0.030 0.000 1.247 350 L HN 0.874 nan 8.230 nan 0.000 0.421 351 G N 2.369 111.177 108.800 0.014 0.000 2.796 351 G HA2 -0.218 3.742 3.960 0.000 0.000 0.571 351 G HA3 -0.218 3.742 3.960 0.000 0.000 0.571 351 G C 0.000 174.804 174.900 -0.160 0.000 1.370 351 G CA -0.257 44.817 45.100 -0.043 0.000 0.856 351 G HN 0.684 nan 8.290 nan 0.000 0.538 352 D N -0.403 119.764 120.400 -0.388 0.000 2.269 352 D HA 0.008 4.648 4.640 0.000 0.000 0.208 352 D C 1.603 177.328 176.300 -0.958 0.000 0.963 352 D CA 1.525 55.095 54.000 -0.716 0.000 0.864 352 D CB -0.039 40.111 40.800 -1.085 0.000 0.936 352 D HN 0.526 nan 8.370 nan 0.000 0.505 353 W N 0.453 121.749 121.300 -0.006 0.000 3.067 353 W HA 0.284 4.944 4.660 -0.000 0.000 0.417 353 W C 0.237 176.743 176.519 -0.023 0.000 1.029 353 W CA -0.353 56.957 57.345 -0.057 0.000 1.992 353 W CB 0.250 29.695 29.460 -0.024 0.000 1.122 353 W HN -0.304 nan 8.180 nan 0.000 0.681 354 S N 2.595 118.337 115.700 0.070 0.000 2.257 354 S HA 0.207 4.677 4.470 0.000 0.000 0.191 354 S C -2.179 172.496 174.600 0.126 0.000 1.386 354 S CA -0.911 57.382 58.200 0.155 0.000 1.233 354 S CB 0.074 63.392 63.200 0.196 0.000 1.138 354 S HN -0.091 nan 8.310 nan 0.000 0.483 355 P HA 0.082 nan 4.420 nan 0.000 0.270 355 P C 0.803 177.988 177.300 -0.192 0.000 1.223 355 P CA -0.182 62.852 63.100 -0.110 0.000 0.785 355 P CB 1.006 32.649 31.700 -0.096 0.000 0.923 356 E N 1.190 121.096 120.200 -0.491 0.000 2.097 356 E HA -0.177 4.173 4.350 0.000 0.000 0.196 356 E C 1.693 178.144 176.600 -0.248 0.000 1.000 356 E CA 1.572 57.498 56.400 -0.790 0.000 0.804 356 E CB -0.181 29.074 29.700 -0.741 0.000 0.740 356 E HN 0.361 nan 8.360 nan 0.000 0.454 357 S N 0.287 115.927 115.700 -0.098 0.000 2.387 357 S HA -0.232 4.238 4.470 0.000 0.000 0.230 357 S C 1.975 176.701 174.600 0.210 0.000 1.035 357 S CA 1.028 59.289 58.200 0.101 0.000 1.014 357 S CB -0.306 62.984 63.200 0.150 0.000 0.836 357 S HN 0.503 nan 8.310 nan 0.000 0.466 358 A N 1.341 124.265 122.820 0.172 0.000 1.908 358 A HA 0.018 4.338 4.320 0.000 0.000 0.218 358 A C 2.331 180.056 177.584 0.235 0.000 1.181 358 A CA 1.801 53.961 52.037 0.206 0.000 0.627 358 A CB -1.317 17.792 19.000 0.182 0.000 0.818 358 A HN 0.537 nan 8.150 nan 0.000 0.445 359 G N -0.926 108.087 108.800 0.355 0.000 2.430 359 G HA2 -0.111 3.849 3.960 0.000 0.000 0.216 359 G HA3 -0.111 3.849 3.960 0.000 0.000 0.216 359 G C 1.056 176.095 174.900 0.232 0.000 1.146 359 G CA 1.018 46.319 45.100 0.334 0.000 0.793 359 G HN 0.429 nan 8.290 nan 0.000 0.537 360 D N -0.739 119.738 120.400 0.128 0.000 2.269 360 D HA 0.003 4.643 4.640 0.000 0.000 0.208 360 D C 1.426 177.593 176.300 -0.221 0.000 0.963 360 D CA 0.814 54.773 54.000 -0.070 0.000 0.864 360 D CB 0.123 40.677 40.800 -0.410 0.000 0.936 360 D HN 0.444 nan 8.370 nan 0.000 0.505 361 Y N -1.007 119.394 120.300 0.168 0.000 2.664 361 Y HA 0.437 4.987 4.550 -0.000 0.000 0.278 361 Y C 1.638 177.597 175.900 0.098 0.000 1.130 361 Y CA 0.290 58.462 58.100 0.121 0.000 1.260 361 Y CB 0.550 39.062 38.460 0.087 0.000 1.369 361 Y HN -0.069 nan 8.280 nan 0.000 0.499 362 A N -1.236 121.732 122.820 0.246 0.000 2.736 362 A HA 0.177 4.497 4.320 0.000 0.000 0.222 362 A C 1.579 179.225 177.584 0.104 0.000 1.267 362 A CA 0.576 52.712 52.037 0.165 0.000 1.026 362 A CB -0.801 18.296 19.000 0.160 0.000 1.281 362 A HN 0.169 nan 8.150 nan 0.000 0.577 363 S N -0.989 114.761 115.700 0.084 0.000 2.402 363 S HA 0.294 4.764 4.470 0.000 0.000 0.229 363 S C 1.669 176.256 174.600 -0.022 0.000 1.021 363 S CA 1.802 60.013 58.200 0.019 0.000 0.974 363 S CB -0.090 63.099 63.200 -0.019 0.000 0.800 363 S HN 1.982 nan 8.310 nan 0.000 0.484 364 G N 0.523 109.325 108.800 0.005 0.000 2.480 364 G HA2 -0.141 3.819 3.960 0.000 0.000 0.193 364 G HA3 -0.141 3.819 3.960 0.000 0.000 0.193 364 G C 0.307 175.253 174.900 0.077 0.000 1.004 364 G CA 0.016 45.148 45.100 0.055 0.000 0.696 364 G HN 1.098 nan 8.290 nan 0.000 0.478 365 T N -0.240 114.225 114.554 -0.149 0.000 2.813 365 T HA 0.489 4.839 4.350 0.000 0.000 0.297 365 T C 0.185 175.001 174.700 0.194 0.000 1.036 365 T CA -0.009 62.023 62.100 -0.113 0.000 1.044 365 T CB 1.606 70.307 68.868 -0.279 0.000 0.993 365 T HN 0.250 nan 8.240 nan 0.000 0.535 366 N N 0.461 119.338 118.700 0.296 0.000 2.499 366 N HA 0.056 4.796 4.740 0.000 0.000 0.281 366 N C 1.067 176.706 175.510 0.215 0.000 1.098 366 N CA -0.408 52.800 53.050 0.263 0.000 0.979 366 N CB 0.782 39.488 38.487 0.366 0.000 1.121 366 N HN 0.999 nan 8.380 nan 0.000 0.466 367 H N 0.745 119.896 119.070 0.135 0.000 2.539 367 H HA 0.191 4.747 4.556 0.000 0.000 0.269 367 H C -0.325 175.071 175.328 0.113 0.000 0.980 367 H CA -0.277 55.845 56.048 0.123 0.000 1.152 367 H CB 0.376 30.172 29.762 0.057 0.000 1.407 367 H HN 0.033 nan 8.280 nan 0.000 0.564 368 V N 3.136 123.257 119.914 0.346 0.000 2.372 368 V HA 0.205 4.325 4.120 0.000 0.000 0.261 368 V C -0.140 176.054 176.094 0.167 0.000 1.055 368 V CA -0.134 62.329 62.300 0.271 0.000 0.930 368 V CB 0.600 32.574 31.823 0.251 0.000 1.031 368 V HN 0.288 nan 8.190 nan 0.000 0.479 369 L N 6.913 128.193 121.223 0.095 0.000 2.350 369 L HA 0.643 4.983 4.340 0.000 0.000 0.260 369 L C -2.371 174.503 176.870 0.006 0.000 1.015 369 L CA -1.986 52.870 54.840 0.026 0.000 0.821 369 L CB 2.907 44.920 42.059 -0.078 0.000 1.370 369 L HN 0.360 nan 8.230 nan 0.000 0.416 370 P HA 0.197 nan 4.420 nan 0.000 0.275 370 P C -0.778 176.550 177.300 0.047 0.000 1.227 370 P CA 0.006 63.134 63.100 0.047 0.000 0.781 370 P CB 1.855 33.592 31.700 0.062 0.000 0.906 371 T N 1.052 115.686 114.554 0.133 0.000 2.647 371 T HA 0.332 4.682 4.350 0.000 0.000 0.295 371 T C -1.013 173.841 174.700 0.257 0.000 1.126 371 T CA -0.232 61.938 62.100 0.115 0.000 1.040 371 T CB -0.027 68.882 68.868 0.068 0.000 1.472 371 T HN 0.278 nan 8.240 nan 0.000 0.500 372 Y N 0.198 120.480 120.300 -0.030 0.000 3.825 372 Y HA -0.217 4.333 4.550 0.000 0.000 0.221 372 Y C 1.112 176.841 175.900 -0.286 0.000 1.195 372 Y CA 2.286 60.333 58.100 -0.088 0.000 1.699 372 Y CB -1.355 37.132 38.460 0.045 0.000 1.531 372 Y HN 1.571 nan 8.280 nan 0.000 0.640 373 G N -1.586 107.041 108.800 -0.288 0.000 2.199 373 G HA2 -0.419 3.541 3.960 0.000 0.000 0.254 373 G HA3 -0.419 3.541 3.960 0.000 0.000 0.254 373 G C 0.608 175.298 174.900 -0.349 0.000 0.982 373 G CA 0.216 45.069 45.100 -0.412 0.000 0.632 373 G HN 0.542 nan 8.290 nan 0.000 0.529 374 Y N 1.971 122.217 120.300 -0.090 0.000 2.639 374 Y HA 0.019 4.569 4.550 0.000 0.000 0.297 374 Y C 3.002 178.866 175.900 -0.060 0.000 1.151 374 Y CA 1.894 59.958 58.100 -0.061 0.000 1.335 374 Y CB -0.390 38.055 38.460 -0.024 0.000 0.994 374 Y HN 0.468 nan 8.280 nan 0.000 0.548 375 T N -3.193 111.376 114.554 0.025 0.000 3.025 375 T HA -0.135 4.215 4.350 0.000 0.000 0.270 375 T C 2.146 176.836 174.700 -0.016 0.000 1.126 375 T CA 0.745 62.844 62.100 -0.002 0.000 1.105 375 T CB -0.392 68.451 68.868 -0.042 0.000 0.884 375 T HN 0.343 nan 8.240 nan 0.000 0.522 376 A N 2.080 124.876 122.820 -0.039 0.000 1.933 376 A HA -0.005 4.315 4.320 0.000 0.000 0.218 376 A C 2.563 180.142 177.584 -0.008 0.000 1.175 376 A CA 1.992 54.004 52.037 -0.041 0.000 0.628 376 A CB -0.790 18.166 19.000 -0.073 0.000 0.814 376 A HN 0.725 nan 8.150 nan 0.000 0.444 377 T N -6.299 108.268 114.554 0.021 0.000 3.009 377 T HA 0.250 4.600 4.350 0.000 0.000 0.267 377 T C 0.279 174.998 174.700 0.031 0.000 0.942 377 T CA 0.248 62.363 62.100 0.024 0.000 0.883 377 T CB -0.715 68.170 68.868 0.027 0.000 1.192 377 T HN 0.261 nan 8.240 nan 0.000 0.524 378 C N 2.385 121.714 119.300 0.050 0.000 2.351 378 C HA 0.866 5.326 4.460 0.000 0.000 0.359 378 C C 0.617 175.625 174.990 0.029 0.000 1.193 378 C CA -0.472 58.568 59.018 0.036 0.000 2.270 378 C CB 1.160 28.926 27.740 0.044 0.000 2.369 378 C HN 0.570 nan 8.230 nan 0.000 0.553 379 S N 0.432 116.147 115.700 0.024 0.000 2.664 379 S HA 0.498 4.968 4.470 0.000 0.000 0.304 379 S C -0.188 174.438 174.600 0.044 0.000 1.099 379 S CA -0.416 57.803 58.200 0.031 0.000 1.003 379 S CB 1.525 64.743 63.200 0.030 0.000 1.092 379 S HN 0.906 nan 8.310 nan 0.000 0.525 380 S N 0.729 116.461 115.700 0.054 0.000 2.558 380 S HA 0.064 4.534 4.470 0.000 0.000 0.287 380 S C 0.011 174.680 174.600 0.115 0.000 1.321 380 S CA -0.554 57.696 58.200 0.082 0.000 1.048 380 S CB -0.216 63.041 63.200 0.096 0.000 0.844 380 S HN 0.502 nan 8.310 nan 0.000 0.512 381 L N 4.551 125.868 121.223 0.156 0.000 2.485 381 L HA 0.570 4.911 4.340 0.000 0.000 0.275 381 L C 0.731 177.764 176.870 0.272 0.000 1.207 381 L CA 1.553 56.523 54.840 0.215 0.000 0.855 381 L CB 0.110 42.331 42.059 0.269 0.000 1.114 381 L HN 0.879 nan 8.230 nan 0.000 0.485 382 G N 2.911 111.889 108.800 0.296 0.000 2.706 382 G HA2 0.285 4.245 3.960 0.000 0.000 0.307 382 G HA3 0.285 4.245 3.960 0.000 0.000 0.307 382 G C -0.280 174.844 174.900 0.374 0.000 1.307 382 G CA -0.209 45.068 45.100 0.295 0.000 0.790 382 G HN 0.686 nan 8.290 nan 0.000 0.503 383 L N 0.787 122.167 121.223 0.261 0.000 2.042 383 L HA 0.050 4.390 4.340 0.000 0.000 0.210 383 L C 3.028 180.051 176.870 0.254 0.000 1.076 383 L CA 3.263 58.236 54.840 0.223 0.000 0.749 383 L CB -0.743 41.359 42.059 0.071 0.000 0.893 383 L HN 0.732 nan 8.230 nan 0.000 0.432 384 A N -0.972 121.941 122.820 0.155 0.000 1.986 384 A HA -0.263 4.057 4.320 0.000 0.000 0.220 384 A C 1.950 179.612 177.584 0.130 0.000 1.171 384 A CA 2.043 54.148 52.037 0.113 0.000 0.640 384 A CB -0.867 18.169 19.000 0.060 0.000 0.811 384 A HN 0.645 nan 8.150 nan 0.000 0.451 385 D N -1.586 118.914 120.400 0.168 0.000 2.348 385 D HA -0.029 4.611 4.640 0.000 0.000 0.216 385 D C 0.340 176.599 176.300 -0.069 0.000 0.970 385 D CA 0.798 54.826 54.000 0.047 0.000 0.889 385 D CB -0.093 40.736 40.800 0.049 0.000 0.912 385 D HN 0.574 nan 8.370 nan 0.000 0.524 386 F N 0.658 120.695 119.950 0.146 0.000 2.653 386 F HA 0.172 4.699 4.527 0.000 0.000 0.304 386 F C 1.174 177.017 175.800 0.071 0.000 1.092 386 F CA -0.251 57.812 58.000 0.104 0.000 1.279 386 F CB 0.399 39.368 39.000 -0.051 0.000 1.044 386 F HN -0.138 nan 8.300 nan 0.000 0.564 387 Q N -0.670 119.237 119.800 0.178 0.000 2.687 387 Q HA 0.677 5.017 4.340 0.000 0.000 0.305 387 Q C -1.430 174.611 176.000 0.067 0.000 1.006 387 Q CA -1.275 54.596 55.803 0.112 0.000 0.763 387 Q CB 2.375 31.172 28.738 0.099 0.000 1.506 387 Q HN 0.043 nan 8.270 nan 0.000 0.459 388 K N 0.140 120.569 120.400 0.049 0.000 2.469 388 K HA 0.565 4.885 4.320 0.000 0.000 0.254 388 K C -0.950 175.665 176.600 0.025 0.000 0.939 388 K CA -0.838 55.467 56.287 0.031 0.000 0.812 388 K CB 2.921 35.436 32.500 0.025 0.000 1.301 388 K HN 0.400 nan 8.250 nan 0.000 0.433 392 V N 2.022 121.943 119.914 0.011 0.000 2.888 392 V HA 0.791 4.911 4.120 0.000 0.000 0.309 392 V C -1.020 175.082 176.094 0.013 0.000 1.114 392 V CA -0.871 61.435 62.300 0.011 0.000 0.940 392 V CB 1.946 33.775 31.823 0.009 0.000 1.021 392 V HN 1.212 nan 8.190 nan 0.000 0.426 393 Q N 2.325 122.134 119.800 0.015 0.000 2.359 393 Q HA 0.809 5.149 4.340 0.000 0.000 0.274 393 Q C -1.283 174.729 176.000 0.020 0.000 1.074 393 Q CA -0.867 54.948 55.803 0.020 0.000 0.810 393 Q CB 3.341 32.094 28.738 0.025 0.000 1.342 393 Q HN 0.740 nan 8.270 nan 0.000 0.427 394 E N 2.762 122.976 120.200 0.023 0.000 2.281 394 E HA 0.373 4.723 4.350 0.000 0.000 0.266 394 E C -1.722 174.900 176.600 0.036 0.000 0.893 394 E CA -0.647 55.766 56.400 0.023 0.000 0.798 394 E CB 1.308 31.017 29.700 0.015 0.000 1.245 394 E HN 0.578 nan 8.360 nan 0.000 0.410 395 L N 3.256 124.510 121.223 0.051 0.000 2.307 395 L HA 0.380 4.720 4.340 0.000 0.000 0.282 395 L C 0.430 177.345 176.870 0.075 0.000 1.051 395 L CA -0.200 54.689 54.840 0.082 0.000 0.804 395 L CB 1.568 43.718 42.059 0.152 0.000 1.197 395 L HN 0.582 nan 8.230 nan 0.000 0.431 396 S N 1.840 117.584 115.700 0.074 0.000 2.655 396 S HA 0.329 4.799 4.470 0.000 0.000 0.265 396 S C 1.041 175.702 174.600 0.102 0.000 1.240 396 S CA -0.617 57.620 58.200 0.061 0.000 0.986 396 S CB 0.809 64.037 63.200 0.047 0.000 0.985 396 S HN 0.582 nan 8.310 nan 0.000 0.562 397 K N 0.538 120.985 120.400 0.078 0.000 2.074 397 K HA -0.167 4.153 4.320 0.000 0.000 0.209 397 K C 2.005 178.700 176.600 0.157 0.000 1.048 397 K CA 2.017 58.373 56.287 0.115 0.000 0.926 397 K CB -0.318 32.221 32.500 0.064 0.000 0.713 397 K HN 0.610 nan 8.250 nan 0.000 0.444 398 E N -0.105 120.151 120.200 0.094 0.000 2.047 398 E HA -0.109 4.241 4.350 0.000 0.000 0.191 398 E C 2.097 178.735 176.600 0.062 0.000 0.987 398 E CA 1.327 57.768 56.400 0.068 0.000 0.799 398 E CB -0.566 29.159 29.700 0.041 0.000 0.752 398 E HN 0.436 nan 8.360 nan 0.000 0.449 399 G N 0.251 109.095 108.800 0.073 0.000 2.421 399 G HA2 -0.281 3.679 3.960 0.000 0.000 0.216 399 G HA3 -0.281 3.679 3.960 0.000 0.000 0.216 399 G C 1.511 176.446 174.900 0.058 0.000 1.171 399 G CA 0.698 45.831 45.100 0.055 0.000 0.775 399 G HN 0.304 nan 8.290 nan 0.000 0.543 400 F N 2.303 122.254 119.950 0.002 0.000 2.102 400 F HA -0.087 4.440 4.527 0.000 0.000 0.298 400 F C 2.828 178.630 175.800 0.003 0.000 1.105 400 F CA 1.942 59.943 58.000 0.002 0.000 1.239 400 F CB -0.365 38.636 39.000 0.001 0.000 0.991 400 F HN 0.144 nan 8.300 nan 0.000 0.474 401 S N 0.532 116.189 115.700 -0.073 0.000 2.383 401 S HA -0.173 4.297 4.470 0.000 0.000 0.229 401 S C 2.208 176.687 174.600 -0.201 0.000 1.030 401 S CA 1.091 59.193 58.200 -0.163 0.000 1.002 401 S CB -0.825 62.397 63.200 0.036 0.000 0.829 401 S HN 0.567 nan 8.310 nan 0.000 0.467 402 A N 0.200 122.942 122.820 -0.131 0.000 2.067 402 A HA 0.186 4.506 4.320 0.000 0.000 0.217 402 A C 1.880 179.384 177.584 -0.134 0.000 1.156 402 A CA 0.728 52.704 52.037 -0.101 0.000 0.683 402 A CB -0.214 18.755 19.000 -0.052 0.000 0.808 402 A HN 0.410 nan 8.150 nan 0.000 0.455 403 L N -1.551 119.554 121.223 -0.197 0.000 2.590 403 L HA 0.400 4.740 4.340 0.000 0.000 0.227 403 L C 2.351 179.067 176.870 -0.257 0.000 1.099 403 L CA 1.045 55.778 54.840 -0.179 0.000 0.872 403 L CB -0.378 41.604 42.059 -0.127 0.000 1.088 403 L HN 0.281 nan 8.230 nan 0.000 0.479 404 A N -0.817 121.737 122.820 -0.443 0.000 1.873 404 A HA -0.250 4.070 4.320 0.000 0.000 0.218 404 A C 2.386 179.846 177.584 -0.206 0.000 1.193 404 A CA 2.337 54.094 52.037 -0.466 0.000 0.629 404 A CB -0.986 17.638 19.000 -0.627 0.000 0.826 404 A HN 0.450 nan 8.150 nan 0.000 0.447 405 S N -0.745 114.865 115.700 -0.151 0.000 2.370 405 S HA -0.147 4.323 4.470 0.000 0.000 0.226 405 S C 2.065 176.628 174.600 -0.062 0.000 1.033 405 S CA 1.802 59.953 58.200 -0.082 0.000 1.011 405 S CB -0.602 62.559 63.200 -0.064 0.000 0.852 405 S HN 0.725 nan 8.310 nan 0.000 0.457 406 T N 2.564 117.077 114.554 -0.070 0.000 2.684 406 T HA -0.024 4.326 4.350 0.000 0.000 0.267 406 T C 1.743 176.422 174.700 -0.034 0.000 1.036 406 T CA 1.317 63.389 62.100 -0.047 0.000 1.148 406 T CB -0.445 68.395 68.868 -0.047 0.000 0.863 406 T HN 0.331 nan 8.240 nan 0.000 0.436 407 I N 0.864 121.408 120.570 -0.044 0.000 2.226 407 I HA -0.160 4.010 4.170 0.000 0.000 0.245 407 I C 2.656 178.778 176.117 0.008 0.000 1.100 407 I CA 1.369 62.663 61.300 -0.008 0.000 1.374 407 I CB -0.438 37.563 38.000 0.001 0.000 1.057 407 I HN 0.312 nan 8.210 nan 0.000 0.413 408 E N 0.378 120.574 120.200 -0.006 0.000 2.085 408 E HA -0.200 4.150 4.350 0.000 0.000 0.194 408 E C 2.196 178.799 176.600 0.006 0.000 0.994 408 E CA 1.931 58.337 56.400 0.011 0.000 0.801 408 E CB -0.193 29.509 29.700 0.002 0.000 0.743 408 E HN 0.478 nan 8.360 nan 0.000 0.453 409 T N 1.662 116.212 114.554 -0.006 0.000 2.684 409 T HA -0.147 4.203 4.350 0.000 0.000 0.267 409 T C 1.998 176.695 174.700 -0.005 0.000 1.036 409 T CA 0.969 63.065 62.100 -0.007 0.000 1.148 409 T CB -0.225 68.636 68.868 -0.013 0.000 0.863 409 T HN 0.082 nan 8.240 nan 0.000 0.436 410 L N 0.689 121.910 121.223 -0.005 0.000 2.046 410 L HA -0.054 4.286 4.340 0.000 0.000 0.208 410 L C 3.051 179.915 176.870 -0.009 0.000 1.077 410 L CA 1.228 56.064 54.840 -0.007 0.000 0.747 410 L CB -0.680 41.377 42.059 -0.004 0.000 0.896 410 L HN 0.230 nan 8.230 nan 0.000 0.432 411 A N 0.014 122.838 122.820 0.006 0.000 1.933 411 A HA -0.126 4.194 4.320 0.000 0.000 0.218 411 A C 2.520 180.104 177.584 -0.001 0.000 1.175 411 A CA 1.633 53.673 52.037 0.006 0.000 0.628 411 A CB -0.625 18.417 19.000 0.069 0.000 0.814 411 A HN 0.397 nan 8.150 nan 0.000 0.444 412 A N -0.188 122.636 122.820 0.006 0.000 1.930 412 A HA 0.219 4.539 4.320 0.000 0.000 0.217 412 A C 2.448 180.029 177.584 -0.006 0.000 1.175 412 A CA 1.822 53.861 52.037 0.004 0.000 0.627 412 A CB -0.870 18.134 19.000 0.006 0.000 0.815 412 A HN 1.011 nan 8.150 nan 0.000 0.443 413 A N -0.263 122.551 122.820 -0.010 0.000 1.969 413 A HA -0.104 4.216 4.320 0.000 0.000 0.218 413 A C 1.774 179.345 177.584 -0.021 0.000 1.169 413 A CA 1.397 53.426 52.037 -0.014 0.000 0.635 413 A CB -0.353 18.639 19.000 -0.013 0.000 0.810 413 A HN 0.610 nan 8.150 nan 0.000 0.445 414 E N -0.859 119.322 120.200 -0.032 0.000 2.489 414 E HA 0.049 4.399 4.350 0.000 0.000 0.193 414 E C -0.254 176.320 176.600 -0.043 0.000 1.057 414 E CA -0.170 56.203 56.400 -0.046 0.000 0.866 414 E CB 0.026 29.678 29.700 -0.079 0.000 0.916 414 E HN 0.492 nan 8.360 nan 0.000 0.500 415 R N 0.150 120.634 120.500 -0.027 0.000 3.641 415 R HA -0.180 4.161 4.340 0.000 0.000 0.286 415 R C -0.431 175.860 176.300 -0.016 0.000 1.153 415 R CA 0.373 56.464 56.100 -0.015 0.000 0.775 415 R CB -2.287 28.005 30.300 -0.012 0.000 1.215 415 R HN 0.194 nan 8.270 nan 0.000 0.474 416 L N 0.934 122.140 121.223 -0.029 0.000 2.352 416 L HA 0.135 4.475 4.340 0.000 0.000 0.272 416 L C 1.555 178.462 176.870 0.061 0.000 1.109 416 L CA -0.271 54.558 54.840 -0.019 0.000 0.952 416 L CB 1.114 43.062 42.059 -0.185 0.000 1.314 416 L HN 0.122 nan 8.230 nan 0.000 0.427 417 T N 0.532 115.120 114.554 0.057 0.000 2.720 417 T HA -0.240 4.110 4.350 0.000 0.000 0.268 417 T C 1.989 176.739 174.700 0.083 0.000 1.037 417 T CA 1.753 63.889 62.100 0.060 0.000 1.144 417 T CB 0.139 69.031 68.868 0.040 0.000 0.864 417 T HN 0.693 nan 8.240 nan 0.000 0.444 418 A N 1.111 123.993 122.820 0.103 0.000 1.902 418 A HA -0.145 4.175 4.320 0.000 0.000 0.217 418 A C 1.985 179.621 177.584 0.087 0.000 1.181 418 A CA 1.743 53.829 52.037 0.081 0.000 0.623 418 A CB -0.895 18.145 19.000 0.067 0.000 0.818 418 A HN 0.540 nan 8.150 nan 0.000 0.443 419 H N -0.385 118.697 119.070 0.020 0.000 2.387 419 H HA -0.111 4.445 4.556 0.000 0.000 0.299 419 H C 2.046 177.395 175.328 0.035 0.000 1.099 419 H CA 1.937 58.001 56.048 0.027 0.000 1.315 419 H CB 0.002 29.777 29.762 0.022 0.000 1.380 419 H HN 0.556 nan 8.280 nan 0.000 0.513 420 K N 0.162 120.655 120.400 0.155 0.000 2.062 420 K HA -0.109 4.211 4.320 0.000 0.000 0.205 420 K C 1.466 178.113 176.600 0.078 0.000 1.051 420 K CA 1.151 57.497 56.287 0.098 0.000 0.941 420 K CB 0.209 32.751 32.500 0.070 0.000 0.719 420 K HN 0.197 nan 8.250 nan 0.000 0.440 421 N N 1.067 119.806 118.700 0.064 0.000 2.309 421 N HA -0.108 4.632 4.740 0.000 0.000 0.182 421 N C 1.531 177.068 175.510 0.046 0.000 1.018 421 N CA 1.106 54.185 53.050 0.048 0.000 0.876 421 N CB -0.280 38.227 38.487 0.034 0.000 0.972 421 N HN 0.276 nan 8.380 nan 0.000 0.434 422 A N 0.471 123.314 122.820 0.039 0.000 1.972 422 A HA -0.080 4.240 4.320 0.000 0.000 0.219 422 A C 2.397 180.029 177.584 0.079 0.000 1.169 422 A CA 1.216 53.267 52.037 0.023 0.000 0.635 422 A CB -0.557 18.433 19.000 -0.017 0.000 0.810 422 A HN 0.108 nan 8.150 nan 0.000 0.446 423 V N -0.719 119.278 119.914 0.139 0.000 2.283 423 V HA -0.182 3.938 4.120 0.000 0.000 0.243 423 V C 2.705 178.945 176.094 0.244 0.000 1.039 423 V CA 2.347 64.807 62.300 0.266 0.000 1.016 423 V CB -1.337 30.597 31.823 0.184 0.000 0.650 423 V HN 0.563 nan 8.190 nan 0.000 0.449 424 T N 0.820 115.454 114.554 0.133 0.000 2.699 424 T HA -0.213 4.137 4.350 0.000 0.000 0.268 424 T C 1.908 176.661 174.700 0.088 0.000 1.036 424 T CA 1.768 63.928 62.100 0.100 0.000 1.147 424 T CB -0.393 68.512 68.868 0.061 0.000 0.862 424 T HN 0.265 nan 8.240 nan 0.000 0.446 425 L N 0.159 121.419 121.223 0.062 0.000 2.042 425 L HA -0.136 4.205 4.340 0.000 0.000 0.210 425 L C 2.888 179.768 176.870 0.016 0.000 1.076 425 L CA 1.535 56.391 54.840 0.027 0.000 0.749 425 L CB -0.412 41.649 42.059 0.002 0.000 0.893 425 L HN 0.175 nan 8.230 nan 0.000 0.432 426 R N -0.962 119.544 120.500 0.010 0.000 2.075 426 R HA -0.097 4.243 4.340 0.000 0.000 0.232 426 R C 2.247 178.598 176.300 0.085 0.000 1.126 426 R CA 1.007 57.053 56.100 -0.091 0.000 0.963 426 R CB -0.501 29.496 30.300 -0.504 0.000 0.858 426 R HN 0.131 nan 8.270 nan 0.000 0.435 427 V N 2.059 122.137 119.914 0.275 0.000 2.287 427 V HA -0.288 3.832 4.120 0.000 0.000 0.248 427 V C 1.713 177.880 176.094 0.122 0.000 1.053 427 V CA 1.862 64.316 62.300 0.257 0.000 1.027 427 V CB -0.507 31.424 31.823 0.180 0.000 0.646 427 V HN 0.361 nan 8.190 nan 0.000 0.447 428 N N 0.291 119.040 118.700 0.081 0.000 2.244 428 N HA -0.081 4.659 4.740 0.000 0.000 0.183 428 N C 1.843 177.372 175.510 0.032 0.000 1.016 428 N CA 1.526 54.605 53.050 0.047 0.000 0.866 428 N CB -0.448 38.060 38.487 0.034 0.000 0.980 428 N HN 0.502 nan 8.380 nan 0.000 0.430 429 A N 1.001 123.833 122.820 0.021 0.000 1.930 429 A HA -0.026 4.294 4.320 0.000 0.000 0.217 429 A C 2.338 179.928 177.584 0.009 0.000 1.175 429 A CA 0.826 52.863 52.037 0.001 0.000 0.627 429 A CB -0.600 18.384 19.000 -0.028 0.000 0.815 429 A HN 0.202 nan 8.150 nan 0.000 0.443 430 L N -0.897 120.344 121.223 0.029 0.000 2.109 430 L HA -0.154 4.186 4.340 0.000 0.000 0.207 430 L C 2.543 179.436 176.870 0.038 0.000 1.086 430 L CA 1.407 56.271 54.840 0.041 0.000 0.760 430 L CB -0.360 41.751 42.059 0.086 0.000 0.910 430 L HN 0.342 nan 8.230 nan 0.000 0.437 431 K N -0.168 120.257 120.400 0.041 0.000 2.026 431 K HA -0.160 4.160 4.320 0.000 0.000 0.208 431 K C 2.006 178.619 176.600 0.021 0.000 1.048 431 K CA 1.113 57.419 56.287 0.031 0.000 0.929 431 K CB -0.084 32.434 32.500 0.030 0.000 0.713 431 K HN 0.251 nan 8.250 nan 0.000 0.439 432 E N 0.817 121.027 120.200 0.017 0.000 2.160 432 E HA -0.251 4.099 4.350 0.000 0.000 0.195 432 E C 2.045 178.650 176.600 0.008 0.000 0.991 432 E CA 1.134 57.540 56.400 0.011 0.000 0.810 432 E CB 0.034 29.738 29.700 0.007 0.000 0.742 432 E HN 0.410 nan 8.360 nan 0.000 0.466 433 Q N -0.057 119.749 119.800 0.010 0.000 2.331 433 Q HA 0.081 4.421 4.340 0.000 0.000 0.203 433 Q C 0.234 176.240 176.000 0.010 0.000 0.944 433 Q CA 0.680 56.488 55.803 0.007 0.000 0.892 433 Q CB 0.437 29.178 28.738 0.006 0.000 0.983 433 Q HN 0.116 nan 8.270 nan 0.000 0.482 434 A N 0.000 122.828 122.820 0.014 0.000 2.254 434 A HA 0.000 4.320 4.320 0.000 0.000 0.244 434 A CA 0.000 52.045 52.037 0.014 0.000 0.836 434 A CB 0.000 19.009 19.000 0.014 0.000 0.831 434 A HN 0.000 nan 8.150 nan 0.000 0.486