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 2p6g_1_E DATA FIRST_RESID 5 DATA SEQUENCE DKAKKLENLL KLLQLNNXXX XXXXXXXXXX XXXHKFWRTQ PVKDFDEKVV DATA SEQUENCE EEGPIDKPKT PEDISDKPLP LLSSFEWCSI DVDNKKQLED VFVLLNENYV DATA SEQUENCE EDRDAGFRFN YTKEFFNWAL KSPGWKKDWH IGVRVKETQK LVAFISAIPV DATA SEQUENCE TLGVRGKQVP SVEINFLCVH KQLRSKRLTP VLIKEITRRV NKCDIWHALY DATA SEQUENCE TAGIVLPAPV STCRYTHRPL NWKKLYEVDF TGLPDGHTEE DMIAENALPA DATA SEQUENCE KTKTAGLRKL KKEDIDQVFE LFKRYQSRFE LIQIFTKEEF EHNFIGEESL DATA SEQUENCE PLDKQVIFSY VVEQPDGKIT DFFSFYSLPF TILNNTKYKD LGIGYLYYYA DATA SEQUENCE TDADFQFKDR FDPKATKALK TRLCELIYDA CILAKNANMD VFNALTSQDN DATA SEQUENCE TLFLDDLKFG PGDGFLNFYL FNYRAKPITG GLNPDNSNDI KRRSNVGVVM DATA SEQUENCE L 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.320 176.300 0.034 0.000 2.045 5 D CA 0.000 54.026 54.000 0.043 0.000 0.868 5 D CB 0.000 40.820 40.800 0.033 0.000 0.688 6 K N 1.687 122.108 120.400 0.034 0.000 2.439 6 K HA 0.232 4.552 4.320 -0.000 0.000 0.197 6 K C 1.714 178.335 176.600 0.034 0.000 1.041 6 K CA 0.821 57.123 56.287 0.025 0.000 0.970 6 K CB 0.082 32.597 32.500 0.025 0.000 0.773 6 K HN 0.251 nan 8.250 nan 0.000 0.479 7 A N 1.894 124.755 122.820 0.068 0.000 1.929 7 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 7 A C 2.023 179.624 177.584 0.028 0.000 1.176 7 A CA 1.200 53.312 52.037 0.125 0.000 0.628 7 A CB -0.170 18.946 19.000 0.195 0.000 0.816 7 A HN 0.231 nan 8.150 nan 0.000 0.444 8 K N -0.311 120.103 120.400 0.023 0.000 2.217 8 K HA -0.081 4.239 4.320 -0.000 0.000 0.202 8 K C 2.089 178.637 176.600 -0.086 0.000 1.051 8 K CA 1.283 57.556 56.287 -0.023 0.000 0.952 8 K CB -0.056 32.461 32.500 0.029 0.000 0.736 8 K HN 0.468 nan 8.250 nan 0.000 0.453 9 K N 1.017 121.380 120.400 -0.062 0.000 2.001 9 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 9 K C 1.981 178.510 176.600 -0.117 0.000 1.048 9 K CA 0.995 57.242 56.287 -0.067 0.000 0.932 9 K CB -0.013 32.467 32.500 -0.033 0.000 0.715 9 K HN -0.059 nan 8.250 nan 0.000 0.437 10 L N 1.638 122.780 121.223 -0.136 0.000 2.083 10 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 10 L C 2.403 179.023 176.870 -0.416 0.000 1.083 10 L CA 1.609 56.339 54.840 -0.184 0.000 0.752 10 L CB -0.391 41.620 42.059 -0.079 0.000 0.899 10 L HN 0.334 nan 8.230 nan 0.000 0.433 11 E N -0.589 119.196 120.200 -0.690 0.000 2.077 11 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 11 E C 1.930 178.306 176.600 -0.374 0.000 0.989 11 E CA 1.183 57.031 56.400 -0.919 0.000 0.800 11 E CB 0.026 29.256 29.700 -0.783 0.000 0.746 11 E HN 0.535 nan 8.360 nan 0.000 0.452 12 N N 0.312 118.878 118.700 -0.223 0.000 2.106 12 N HA -0.150 4.590 4.740 -0.000 0.000 0.188 12 N C 2.056 177.505 175.510 -0.102 0.000 1.029 12 N CA 0.857 53.837 53.050 -0.116 0.000 0.848 12 N CB -0.205 38.238 38.487 -0.073 0.000 1.007 12 N HN 0.126 nan 8.380 nan 0.000 0.423 13 L N 1.034 122.191 121.223 -0.109 0.000 2.042 13 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 13 L C 2.334 179.150 176.870 -0.089 0.000 1.076 13 L CA 0.914 55.704 54.840 -0.083 0.000 0.749 13 L CB -0.618 41.398 42.059 -0.073 0.000 0.893 13 L HN 0.136 nan 8.230 nan 0.000 0.432 14 L N -0.599 120.551 121.223 -0.121 0.000 2.046 14 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 14 L C 2.414 179.230 176.870 -0.089 0.000 1.077 14 L CA 1.780 56.559 54.840 -0.102 0.000 0.747 14 L CB -0.456 41.542 42.059 -0.102 0.000 0.896 14 L HN 0.164 nan 8.230 nan 0.000 0.432 15 K N -0.984 119.371 120.400 -0.074 0.000 2.209 15 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 15 K C 1.965 178.547 176.600 -0.031 0.000 1.048 15 K CA 1.111 57.379 56.287 -0.032 0.000 0.940 15 K CB -0.172 32.322 32.500 -0.010 0.000 0.729 15 K HN 0.341 nan 8.250 nan 0.000 0.451 16 L N 0.231 121.428 121.223 -0.043 0.000 2.156 16 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 16 L C 1.988 178.830 176.870 -0.047 0.000 1.095 16 L CA 0.463 55.286 54.840 -0.029 0.000 0.770 16 L CB -0.313 41.730 42.059 -0.026 0.000 0.914 16 L HN 0.107 nan 8.230 nan 0.000 0.439 17 L N -0.339 120.825 121.223 -0.098 0.000 2.017 17 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 17 L C 2.720 179.422 176.870 -0.280 0.000 1.073 17 L CA 1.774 56.515 54.840 -0.166 0.000 0.745 17 L CB -0.647 41.286 42.059 -0.209 0.000 0.894 17 L HN 0.282 nan 8.230 nan 0.000 0.432 18 Q N -0.679 118.935 119.800 -0.310 0.000 2.311 18 Q HA -0.050 4.290 4.340 -0.000 0.000 0.203 18 Q C 0.955 177.042 176.000 0.144 0.000 0.954 18 Q CA -0.078 55.523 55.803 -0.338 0.000 0.885 18 Q CB -0.105 28.546 28.738 -0.144 0.000 0.963 18 Q HN 0.342 nan 8.270 nan 0.000 0.471 19 L N 3.687 124.961 121.223 0.085 0.000 2.737 19 L HA -0.140 4.200 4.340 -0.000 0.000 0.279 19 L C 0.089 177.066 176.870 0.179 0.000 1.200 19 L CA 0.424 55.337 54.840 0.121 0.000 0.952 19 L CB 0.039 42.139 42.059 0.068 0.000 1.240 19 L HN 0.273 nan 8.230 nan 0.000 0.486 20 N N 2.223 121.028 118.700 0.175 0.000 3.316 20 N HA 0.341 5.081 4.740 -0.000 0.000 0.300 20 N C -0.909 174.664 175.510 0.105 0.000 1.567 20 N CA -0.899 52.243 53.050 0.153 0.000 0.821 20 N CB 0.488 39.083 38.487 0.180 0.000 1.748 20 N HN 0.350 nan 8.380 nan 0.000 0.603 39 K N -0.168 120.380 120.400 0.246 0.000 2.442 39 K HA -0.108 4.212 4.320 -0.000 0.000 0.199 39 K C 1.291 178.022 176.600 0.217 0.000 1.044 39 K CA 1.363 57.763 56.287 0.189 0.000 0.941 39 K CB 0.321 32.902 32.500 0.134 0.000 0.759 39 K HN 0.169 nan 8.250 nan 0.000 0.472 40 F N -0.988 119.009 119.950 0.077 0.000 2.490 40 F HA 0.097 4.624 4.527 -0.000 0.000 0.280 40 F C 1.405 177.147 175.800 -0.096 0.000 1.030 40 F CA -0.048 57.907 58.000 -0.076 0.000 1.367 40 F CB -0.255 38.609 39.000 -0.227 0.000 1.131 40 F HN -0.100 nan 8.300 nan 0.000 0.632 41 W N 1.263 122.502 121.300 -0.103 0.000 2.465 41 W HA 0.037 4.697 4.660 -0.000 0.000 0.268 41 W C 2.350 178.768 176.519 -0.167 0.000 1.242 41 W CA 0.795 57.997 57.345 -0.238 0.000 1.248 41 W CB -0.386 29.022 29.460 -0.086 0.000 1.118 41 W HN -0.120 nan 8.180 nan 0.000 0.587 42 R N -0.291 120.289 120.500 0.133 0.000 2.170 42 R HA -0.153 4.187 4.340 -0.000 0.000 0.242 42 R C 2.022 178.322 176.300 -0.000 0.000 1.145 42 R CA 1.889 58.039 56.100 0.083 0.000 0.984 42 R CB -0.742 29.626 30.300 0.113 0.000 0.869 42 R HN 0.201 nan 8.270 nan 0.000 0.455 43 T N -2.207 112.293 114.554 -0.090 0.000 3.086 43 T HA 0.129 4.479 4.350 -0.000 0.000 0.250 43 T C 0.410 175.019 174.700 -0.150 0.000 1.074 43 T CA -0.229 61.805 62.100 -0.110 0.000 0.988 43 T CB 0.347 69.149 68.868 -0.109 0.000 0.988 43 T HN -0.113 nan 8.240 nan 0.000 0.530 44 Q N 1.744 121.447 119.800 -0.162 0.000 2.301 44 Q HA 0.404 4.744 4.340 -0.000 0.000 0.267 44 Q C -2.870 173.072 176.000 -0.098 0.000 1.035 44 Q CA -2.660 53.070 55.803 -0.123 0.000 0.856 44 Q CB 1.588 30.260 28.738 -0.109 0.000 1.337 44 Q HN 0.076 nan 8.270 nan 0.000 0.450 45 P HA 0.070 nan 4.420 nan 0.000 0.237 45 P C -0.711 176.402 177.300 -0.311 0.000 1.788 45 P CA 0.017 62.957 63.100 -0.267 0.000 1.061 45 P CB -0.216 31.293 31.700 -0.318 0.000 1.967 46 V N -1.140 118.700 119.914 -0.123 0.000 2.680 46 V HA 0.485 4.605 4.120 -0.000 0.000 0.309 46 V C 0.329 176.383 176.094 -0.067 0.000 1.052 46 V CA -1.660 60.611 62.300 -0.048 0.000 0.908 46 V CB 2.131 34.004 31.823 0.083 0.000 1.001 46 V HN 0.135 nan 8.190 nan 0.000 0.431 47 K N 1.872 122.230 120.400 -0.069 0.000 2.561 47 K HA -0.008 4.312 4.320 -0.000 0.000 0.280 47 K C -0.539 175.965 176.600 -0.160 0.000 0.975 47 K CA 0.309 56.538 56.287 -0.096 0.000 1.024 47 K CB 0.429 32.876 32.500 -0.088 0.000 0.883 47 K HN 0.957 nan 8.250 nan 0.000 0.496 48 D N 2.491 122.813 120.400 -0.131 0.000 2.217 48 D HA 0.170 4.810 4.640 -0.000 0.000 0.248 48 D C 0.717 176.946 176.300 -0.118 0.000 1.008 48 D CA -0.694 53.214 54.000 -0.152 0.000 0.914 48 D CB 0.650 41.430 40.800 -0.033 0.000 1.182 48 D HN 0.468 nan 8.370 nan 0.000 0.451 49 F N 0.381 120.325 119.950 -0.010 0.000 2.115 49 F HA -0.199 4.328 4.527 -0.000 0.000 0.300 49 F C 1.946 177.739 175.800 -0.012 0.000 1.092 49 F CA 1.410 59.403 58.000 -0.012 0.000 1.245 49 F CB -0.028 38.969 39.000 -0.005 0.000 0.995 49 F HN 0.419 nan 8.300 nan 0.000 0.481 50 D N -0.425 120.081 120.400 0.177 0.000 2.388 50 D HA -0.011 4.629 4.640 -0.000 0.000 0.221 50 D C 0.119 176.449 176.300 0.049 0.000 1.133 50 D CA 0.022 54.081 54.000 0.098 0.000 0.831 50 D CB -0.675 40.176 40.800 0.085 0.000 0.962 50 D HN 0.320 nan 8.370 nan 0.000 0.502 51 E N 0.844 121.062 120.200 0.030 0.000 2.249 51 E HA 0.242 4.592 4.350 -0.000 0.000 0.280 51 E C -0.808 175.790 176.600 -0.003 0.000 1.016 51 E CA -0.752 55.650 56.400 0.003 0.000 0.830 51 E CB 1.044 30.733 29.700 -0.017 0.000 1.081 51 E HN -0.177 nan 8.360 nan 0.000 0.395 52 K N 2.765 123.161 120.400 -0.007 0.000 2.159 52 K HA 0.312 4.632 4.320 -0.000 0.000 0.266 52 K C -1.438 175.150 176.600 -0.019 0.000 0.975 52 K CA -0.591 55.690 56.287 -0.010 0.000 0.865 52 K CB 1.468 33.964 32.500 -0.007 0.000 1.087 52 K HN 0.214 nan 8.250 nan 0.000 0.446 53 V N 4.938 124.840 119.914 -0.019 0.000 2.513 53 V HA 0.409 4.529 4.120 -0.000 0.000 0.299 53 V C 0.255 176.336 176.094 -0.021 0.000 1.035 53 V CA -0.614 61.671 62.300 -0.024 0.000 0.889 53 V CB 1.443 33.254 31.823 -0.019 0.000 0.988 53 V HN 0.719 nan 8.190 nan 0.000 0.440 54 V N 1.419 121.317 119.914 -0.026 0.000 3.658 54 V HA 0.236 4.356 4.120 -0.000 0.000 0.197 54 V C 0.764 176.843 176.094 -0.026 0.000 1.295 54 V CA 0.082 62.368 62.300 -0.023 0.000 1.298 54 V CB -0.023 31.786 31.823 -0.023 0.000 1.347 54 V HN 0.867 nan 8.190 nan 0.000 0.548 55 E N 2.384 122.562 120.200 -0.037 0.000 2.265 55 E HA 0.088 4.438 4.350 -0.000 0.000 0.272 55 E C -0.549 176.010 176.600 -0.068 0.000 1.067 55 E CA 0.029 56.401 56.400 -0.046 0.000 0.900 55 E CB 0.458 30.126 29.700 -0.054 0.000 1.017 55 E HN 0.528 nan 8.360 nan 0.000 0.431 56 E N 2.412 122.581 120.200 -0.051 0.000 2.313 56 E HA 0.576 4.926 4.350 -0.000 0.000 0.272 56 E C -0.003 176.447 176.600 -0.250 0.000 1.038 56 E CA -0.318 56.037 56.400 -0.075 0.000 0.863 56 E CB 1.655 31.423 29.700 0.114 0.000 1.060 56 E HN 0.750 nan 8.360 nan 0.000 0.402 57 G N 2.126 110.480 108.800 -0.744 0.000 2.327 57 G HA2 0.116 4.076 3.960 -0.000 0.000 0.291 57 G HA3 0.116 4.076 3.960 -0.000 0.000 0.291 57 G C -3.086 171.158 174.900 -1.094 0.000 1.290 57 G CA -1.059 43.462 45.100 -0.965 0.000 0.857 57 G HN 0.279 nan 8.290 nan 0.000 0.520 58 P HA 0.454 nan 4.420 nan 0.000 0.272 58 P C 0.450 177.632 177.300 -0.196 0.000 1.230 58 P CA -0.275 62.670 63.100 -0.257 0.000 0.788 58 P CB 0.896 32.624 31.700 0.047 0.000 0.949 59 I N -0.932 119.570 120.570 -0.114 0.000 2.962 59 I HA 0.094 4.263 4.170 -0.000 0.000 0.246 59 I C 0.589 176.659 176.117 -0.079 0.000 1.091 59 I CA 0.469 61.705 61.300 -0.107 0.000 1.469 59 I CB -0.363 37.572 38.000 -0.108 0.000 1.324 59 I HN 0.218 nan 8.210 nan 0.000 0.461 60 D N 2.821 123.185 120.400 -0.060 0.000 2.488 60 D HA 0.027 4.667 4.640 -0.000 0.000 0.238 60 D C -0.180 176.073 176.300 -0.080 0.000 1.138 60 D CA 0.120 54.088 54.000 -0.053 0.000 0.873 60 D CB 0.516 41.307 40.800 -0.014 0.000 1.183 60 D HN 0.144 nan 8.370 nan 0.000 0.458 61 K N 2.837 123.183 120.400 -0.091 0.000 2.355 61 K HA 0.294 4.614 4.320 -0.000 0.000 0.270 61 K C -2.273 174.206 176.600 -0.201 0.000 1.003 61 K CA -1.338 54.878 56.287 -0.119 0.000 0.957 61 K CB -0.152 32.293 32.500 -0.091 0.000 0.939 61 K HN 0.153 nan 8.250 nan 0.000 0.482 62 P HA -0.107 nan 4.420 nan 0.000 0.259 62 P C -1.124 175.944 177.300 -0.388 0.000 1.155 62 P CA 0.628 63.522 63.100 -0.344 0.000 0.759 62 P CB 0.274 31.841 31.700 -0.222 0.000 0.753 63 K N 0.998 120.992 120.400 -0.677 0.000 2.480 63 K HA 0.637 4.957 4.320 -0.000 0.000 0.258 63 K C -0.162 176.148 176.600 -0.483 0.000 0.990 63 K CA -0.754 55.256 56.287 -0.462 0.000 0.857 63 K CB 1.996 34.346 32.500 -0.249 0.000 1.384 63 K HN 0.399 nan 8.250 nan 0.000 0.446 64 T N -2.248 112.289 114.554 -0.029 0.000 2.912 64 T HA 0.330 4.680 4.350 -0.000 0.000 0.288 64 T C -2.309 172.597 174.700 0.344 0.000 1.030 64 T CA -2.269 59.947 62.100 0.192 0.000 1.020 64 T CB 1.695 70.615 68.868 0.086 0.000 1.056 64 T HN 0.155 nan 8.240 nan 0.000 0.480 65 P HA -0.150 nan 4.420 nan 0.000 0.218 65 P C 1.404 178.777 177.300 0.121 0.000 1.146 65 P CA 0.992 64.207 63.100 0.192 0.000 0.820 65 P CB 0.086 31.851 31.700 0.108 0.000 0.778 66 E N -0.219 120.044 120.200 0.106 0.000 2.110 66 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 66 E C 1.446 178.085 176.600 0.066 0.000 0.988 66 E CA 1.149 57.589 56.400 0.066 0.000 0.804 66 E CB -1.087 28.644 29.700 0.050 0.000 0.745 66 E HN 0.369 nan 8.360 nan 0.000 0.458 67 D N 0.466 120.919 120.400 0.089 0.000 2.218 67 D HA -0.055 4.585 4.640 -0.000 0.000 0.204 67 D C 0.793 177.147 176.300 0.090 0.000 0.976 67 D CA 0.518 54.568 54.000 0.082 0.000 0.853 67 D CB 0.106 40.960 40.800 0.090 0.000 0.939 67 D HN 0.108 nan 8.370 nan 0.000 0.481 68 I N 0.975 121.612 120.570 0.112 0.000 2.474 68 I HA 0.024 4.194 4.170 -0.000 0.000 0.287 68 I C 1.188 177.326 176.117 0.036 0.000 1.048 68 I CA -0.370 60.979 61.300 0.082 0.000 1.383 68 I CB 1.053 39.100 38.000 0.078 0.000 1.412 68 I HN -0.186 nan 8.210 nan 0.000 0.531 69 S N 3.447 119.158 115.700 0.018 0.000 2.587 69 S HA -0.007 4.463 4.470 -0.000 0.000 0.260 69 S C 0.819 175.410 174.600 -0.015 0.000 1.353 69 S CA 0.121 58.322 58.200 0.002 0.000 0.995 69 S CB 0.483 63.681 63.200 -0.004 0.000 0.912 69 S HN 0.713 nan 8.310 nan 0.000 0.568 70 D N -0.497 119.893 120.400 -0.017 0.000 2.489 70 D HA 0.102 4.742 4.640 -0.000 0.000 0.231 70 D C -0.316 175.963 176.300 -0.035 0.000 1.114 70 D CA 0.093 54.078 54.000 -0.027 0.000 0.842 70 D CB 0.310 41.101 40.800 -0.016 0.000 1.133 70 D HN 0.656 nan 8.370 nan 0.000 0.506 71 K N 2.478 122.862 120.400 -0.026 0.000 2.276 71 K HA 0.365 4.685 4.320 -0.000 0.000 0.285 71 K C -2.615 173.958 176.600 -0.046 0.000 1.062 71 K CA -1.490 54.786 56.287 -0.018 0.000 0.918 71 K CB 1.291 33.795 32.500 0.008 0.000 1.055 71 K HN -0.163 nan 8.250 nan 0.000 0.477 72 P HA 0.001 nan 4.420 nan 0.000 0.267 72 P C -0.111 177.186 177.300 -0.004 0.000 1.205 72 P CA -0.119 62.862 63.100 -0.198 0.000 0.765 72 P CB 0.522 32.065 31.700 -0.262 0.000 0.828 73 L N 5.624 126.827 121.223 -0.033 0.000 2.506 73 L HA 0.098 4.438 4.340 -0.000 0.000 0.281 73 L C -1.422 175.688 176.870 0.399 0.000 1.228 73 L CA -1.394 53.542 54.840 0.159 0.000 0.850 73 L CB -0.664 41.458 42.059 0.105 0.000 1.110 73 L HN 0.302 nan 8.230 nan 0.000 0.496 74 P HA 0.125 nan 4.420 nan 0.000 0.268 74 P C -1.215 176.170 177.300 0.141 0.000 1.205 74 P CA -0.030 63.175 63.100 0.176 0.000 0.771 74 P CB 0.618 32.376 31.700 0.098 0.000 0.858 75 L N 0.816 122.059 121.223 0.033 0.000 2.408 75 L HA 0.517 4.857 4.340 -0.000 0.000 0.268 75 L C -0.134 176.737 176.870 0.001 0.000 0.986 75 L CA -1.617 53.180 54.840 -0.072 0.000 0.820 75 L CB 1.316 43.151 42.059 -0.374 0.000 1.303 75 L HN 0.126 nan 8.230 nan 0.000 0.411 76 L N 1.731 122.976 121.223 0.036 0.000 2.781 76 L HA -0.128 4.212 4.340 -0.000 0.000 0.308 76 L C 0.825 177.800 176.870 0.176 0.000 1.240 76 L CA 0.437 55.351 54.840 0.123 0.000 0.873 76 L CB -0.216 41.936 42.059 0.156 0.000 1.144 76 L HN 0.781 nan 8.230 nan 0.000 0.505 77 S N 2.738 118.472 115.700 0.057 0.000 2.714 77 S HA 0.280 4.750 4.470 -0.000 0.000 0.318 77 S C 1.016 175.518 174.600 -0.164 0.000 1.219 77 S CA 0.596 58.777 58.200 -0.031 0.000 1.175 77 S CB 0.115 63.293 63.200 -0.037 0.000 0.961 77 S HN 0.972 nan 8.310 nan 0.000 0.518 78 S N 1.251 116.803 115.700 -0.246 0.000 2.014 78 S HA -0.006 4.464 4.470 -0.000 0.000 0.231 78 S C 0.065 174.292 174.600 -0.623 0.000 1.098 78 S CA -0.306 57.601 58.200 -0.489 0.000 1.042 78 S CB -1.461 nan 63.200 nan 0.000 1.222 78 S HN 0.461 nan 8.310 nan 0.000 0.575 79 F N 1.948 121.807 119.950 -0.152 0.000 2.557 79 F HA 0.740 5.267 4.527 -0.000 0.000 0.336 79 F C 0.391 176.041 175.800 -0.249 0.000 1.058 79 F CA -0.230 57.645 58.000 -0.208 0.000 0.988 79 F CB 1.380 40.215 39.000 -0.275 0.000 1.275 79 F HN 0.394 nan 8.300 nan 0.000 0.488 80 E N -0.423 119.735 120.200 -0.070 0.000 2.413 80 E HA 0.367 4.717 4.350 -0.000 0.000 0.277 80 E C -2.053 174.404 176.600 -0.238 0.000 0.958 80 E CA -1.084 55.212 56.400 -0.174 0.000 0.779 80 E CB 1.413 31.090 29.700 -0.038 0.000 1.278 80 E HN 0.531 nan 8.360 nan 0.000 0.456 81 W N 0.936 122.260 121.300 0.040 0.000 2.129 81 W HA 0.474 5.134 4.660 -0.000 0.000 0.349 81 W C 0.175 176.711 176.519 0.028 0.000 1.279 81 W CA -0.041 57.317 57.345 0.022 0.000 1.306 81 W CB 1.067 30.530 29.460 0.006 0.000 1.140 81 W HN 0.754 nan 8.180 nan 0.000 0.613 82 C N -0.815 118.676 119.300 0.319 0.000 3.241 82 C HA 0.683 5.143 4.460 -0.000 0.000 0.348 82 C C -0.477 174.620 174.990 0.180 0.000 1.180 82 C CA -1.151 57.984 59.018 0.195 0.000 1.273 82 C CB 0.747 28.571 27.740 0.139 0.000 1.620 82 C HN 0.547 nan 8.230 nan 0.000 0.510 83 S N 1.502 117.284 115.700 0.136 0.000 2.554 83 S HA 0.721 5.191 4.470 -0.000 0.000 0.278 83 S C -0.367 174.331 174.600 0.163 0.000 1.242 83 S CA -0.300 57.981 58.200 0.136 0.000 1.051 83 S CB 0.810 64.059 63.200 0.083 0.000 0.986 83 S HN 0.633 nan 8.310 nan 0.000 0.502 84 I N 2.431 123.141 120.570 0.234 0.000 2.392 84 I HA 0.273 4.443 4.170 -0.000 0.000 0.295 84 I C -0.046 176.222 176.117 0.253 0.000 0.985 84 I CA -0.328 61.105 61.300 0.223 0.000 1.221 84 I CB 1.346 39.499 38.000 0.256 0.000 1.366 84 I HN 0.460 nan 8.210 nan 0.000 0.467 85 D N 4.946 125.456 120.400 0.184 0.000 2.329 85 D HA 0.234 4.874 4.640 -0.000 0.000 0.232 85 D C 0.856 177.247 176.300 0.151 0.000 1.088 85 D CA -0.312 53.823 54.000 0.226 0.000 0.835 85 D CB 1.524 42.425 40.800 0.169 0.000 1.078 85 D HN 0.267 nan 8.370 nan 0.000 0.495 86 V N 3.126 123.110 119.914 0.118 0.000 2.720 86 V HA -0.154 3.966 4.120 -0.000 0.000 0.256 86 V C 1.347 177.454 176.094 0.022 0.000 1.082 86 V CA 1.337 63.608 62.300 -0.048 0.000 1.101 86 V CB -0.296 31.331 31.823 -0.327 0.000 0.693 86 V HN 0.571 nan 8.190 nan 0.000 0.479 87 D N -0.062 120.403 120.400 0.108 0.000 2.340 87 D HA 0.002 4.642 4.640 -0.000 0.000 0.220 87 D C 0.785 177.139 176.300 0.090 0.000 1.039 87 D CA 0.238 54.305 54.000 0.113 0.000 0.866 87 D CB -0.090 40.810 40.800 0.166 0.000 0.913 87 D HN 0.375 nan 8.370 nan 0.000 0.523 88 N N 1.716 120.465 118.700 0.081 0.000 2.678 88 N HA -0.001 4.739 4.740 -0.000 0.000 0.231 88 N C 1.148 176.684 175.510 0.042 0.000 1.038 88 N CA -0.104 52.981 53.050 0.059 0.000 0.932 88 N CB 1.226 39.747 38.487 0.056 0.000 1.176 88 N HN -0.090 nan 8.380 nan 0.000 0.511 89 K N 3.613 124.043 120.400 0.050 0.000 2.081 89 K HA -0.268 4.052 4.320 -0.000 0.000 0.222 89 K C 1.121 177.735 176.600 0.023 0.000 1.055 89 K CA 1.989 58.311 56.287 0.057 0.000 0.954 89 K CB 0.144 32.678 32.500 0.057 0.000 0.732 89 K HN 0.407 nan 8.250 nan 0.000 0.458 90 K N -0.151 120.248 120.400 -0.002 0.000 2.103 90 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 90 K C 2.463 179.013 176.600 -0.083 0.000 1.052 90 K CA 1.584 57.845 56.287 -0.043 0.000 0.945 90 K CB -0.029 32.456 32.500 -0.026 0.000 0.722 90 K HN 0.351 nan 8.250 nan 0.000 0.443 91 Q N 0.467 120.238 119.800 -0.048 0.000 2.124 91 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 91 Q C 2.025 177.947 176.000 -0.129 0.000 0.977 91 Q CA 0.988 56.757 55.803 -0.056 0.000 0.850 91 Q CB -0.023 28.718 28.738 0.006 0.000 0.901 91 Q HN 0.143 nan 8.270 nan 0.000 0.429 92 L N 0.792 121.947 121.223 -0.114 0.000 2.240 92 L HA -0.104 4.236 4.340 -0.000 0.000 0.211 92 L C 2.111 178.768 176.870 -0.354 0.000 1.106 92 L CA 1.560 56.306 54.840 -0.157 0.000 0.793 92 L CB -0.234 41.835 42.059 0.016 0.000 0.927 92 L HN 0.166 nan 8.230 nan 0.000 0.446 93 E N -0.577 119.358 120.200 -0.441 0.000 2.031 93 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 93 E C 1.652 177.721 176.600 -0.885 0.000 0.994 93 E CA 1.634 57.439 56.400 -0.991 0.000 0.800 93 E CB -0.066 29.375 29.700 -0.433 0.000 0.752 93 E HN 0.442 nan 8.360 nan 0.000 0.447 94 D N 0.029 120.157 120.400 -0.454 0.000 2.172 94 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 94 D C 2.014 178.102 176.300 -0.353 0.000 0.999 94 D CA 1.394 55.206 54.000 -0.313 0.000 0.856 94 D CB -0.186 40.505 40.800 -0.182 0.000 0.934 94 D HN 0.161 nan 8.370 nan 0.000 0.453 95 V N 1.128 120.756 119.914 -0.476 0.000 2.283 95 V HA -0.196 3.924 4.120 -0.000 0.000 0.243 95 V C 2.120 177.970 176.094 -0.407 0.000 1.039 95 V CA 1.566 63.502 62.300 -0.608 0.000 1.016 95 V CB -0.807 30.385 31.823 -1.052 0.000 0.650 95 V HN 0.202 nan 8.190 nan 0.000 0.449 96 F N -0.099 119.743 119.950 -0.181 0.000 2.771 96 F HA 0.170 4.697 4.527 -0.000 0.000 0.299 96 F C 1.488 177.322 175.800 0.055 0.000 1.177 96 F CA 0.342 58.384 58.000 0.070 0.000 1.450 96 F CB -1.261 37.889 39.000 0.251 0.000 1.114 96 F HN -0.021 nan 8.300 nan 0.000 0.587 97 V N -0.087 119.766 119.914 -0.102 0.000 3.085 97 V HA -0.018 4.102 4.120 -0.000 0.000 0.245 97 V C 2.157 178.265 176.094 0.023 0.000 1.114 97 V CA 0.652 62.952 62.300 -0.001 0.000 1.108 97 V CB 0.069 31.832 31.823 -0.099 0.000 0.798 97 V HN 0.425 nan 8.190 nan 0.000 0.471 98 L N 0.109 121.315 121.223 -0.030 0.000 2.017 98 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 98 L C 2.183 179.104 176.870 0.085 0.000 1.073 98 L CA 2.078 56.936 54.840 0.030 0.000 0.745 98 L CB -0.486 41.569 42.059 -0.008 0.000 0.894 98 L HN 0.141 nan 8.230 nan 0.000 0.432 99 L N -0.586 120.680 121.223 0.072 0.000 2.023 99 L HA -0.158 4.182 4.340 -0.000 0.000 0.205 99 L C 2.359 179.375 176.870 0.244 0.000 1.073 99 L CA 1.432 56.363 54.840 0.152 0.000 0.745 99 L CB -1.290 40.753 42.059 -0.027 0.000 0.900 99 L HN 0.342 nan 8.230 nan 0.000 0.435 100 N N 0.475 119.324 118.700 0.248 0.000 2.137 100 N HA -0.210 4.530 4.740 -0.000 0.000 0.190 100 N C 1.725 177.330 175.510 0.158 0.000 1.017 100 N CA 1.313 54.501 53.050 0.231 0.000 0.859 100 N CB -0.163 38.457 38.487 0.221 0.000 1.002 100 N HN 0.431 nan 8.380 nan 0.000 0.428 101 E N -0.354 119.918 120.200 0.120 0.000 2.158 101 E HA 0.082 4.432 4.350 -0.000 0.000 0.191 101 E C 0.771 177.395 176.600 0.040 0.000 0.982 101 E CA 0.529 56.966 56.400 0.062 0.000 0.823 101 E CB 0.105 29.831 29.700 0.044 0.000 0.766 101 E HN 0.449 nan 8.360 nan 0.000 0.468 102 N N -0.840 117.912 118.700 0.086 0.000 2.210 102 N HA -0.013 4.727 4.740 -0.000 0.000 0.203 102 N C 1.027 176.622 175.510 0.142 0.000 1.175 102 N CA 0.021 53.102 53.050 0.053 0.000 0.894 102 N CB 0.349 38.835 38.487 -0.002 0.000 1.041 102 N HN 0.080 nan 8.380 nan 0.000 0.506 103 Y N 2.293 122.639 120.300 0.077 0.000 2.293 103 Y HA 0.004 4.554 4.550 -0.000 0.000 0.291 103 Y C 0.935 176.928 175.900 0.154 0.000 1.137 103 Y CA 0.696 58.849 58.100 0.087 0.000 1.202 103 Y CB 0.175 38.639 38.460 0.007 0.000 0.990 103 Y HN -0.279 nan 8.280 nan 0.000 0.537 104 V N 2.447 122.514 119.914 0.255 0.000 2.461 104 V HA 0.009 4.129 4.120 -0.000 0.000 0.275 104 V C 0.978 177.079 176.094 0.011 0.000 1.047 104 V CA -0.554 61.828 62.300 0.135 0.000 0.955 104 V CB 1.385 33.188 31.823 -0.033 0.000 0.988 104 V HN 0.262 nan 8.190 nan 0.000 0.471 105 E N 2.441 122.647 120.200 0.011 0.000 2.077 105 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 105 E C 0.622 177.198 176.600 -0.041 0.000 0.989 105 E CA 0.710 57.104 56.400 -0.010 0.000 0.800 105 E CB -0.054 29.655 29.700 0.015 0.000 0.746 105 E HN 0.746 nan 8.360 nan 0.000 0.452 106 D N 0.390 120.745 120.400 -0.076 0.000 2.249 106 D HA 0.080 4.720 4.640 -0.000 0.000 0.246 106 D C 0.889 177.102 176.300 -0.145 0.000 1.114 106 D CA -0.249 53.691 54.000 -0.100 0.000 0.854 106 D CB 1.185 41.923 40.800 -0.103 0.000 1.132 106 D HN -0.145 nan 8.370 nan 0.000 0.461 107 R N 2.410 122.849 120.500 -0.103 0.000 2.092 107 R HA -0.034 4.306 4.340 -0.000 0.000 0.231 107 R C 0.059 176.290 176.300 -0.115 0.000 1.119 107 R CA 0.972 57.012 56.100 -0.100 0.000 0.970 107 R CB 0.314 30.575 30.300 -0.064 0.000 0.864 107 R HN 0.477 nan 8.270 nan 0.000 0.440 108 D N -0.150 120.188 120.400 -0.103 0.000 2.587 108 D HA 0.108 4.748 4.640 -0.000 0.000 0.233 108 D C 0.492 176.726 176.300 -0.111 0.000 1.213 108 D CA 0.104 54.052 54.000 -0.086 0.000 0.827 108 D CB 1.214 41.986 40.800 -0.047 0.000 1.006 108 D HN 0.286 nan 8.370 nan 0.000 0.490 109 A N 0.216 122.897 122.820 -0.232 0.000 1.968 109 A HA 0.209 4.529 4.320 -0.000 0.000 0.217 109 A C 1.903 179.379 177.584 -0.181 0.000 1.169 109 A CA 1.388 53.221 52.037 -0.340 0.000 0.638 109 A CB -0.123 18.357 19.000 -0.866 0.000 0.812 109 A HN 0.370 nan 8.150 nan 0.000 0.446 110 G N -2.445 106.261 108.800 -0.157 0.000 2.159 110 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.227 110 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.227 110 G C 0.027 175.073 174.900 0.243 0.000 0.986 110 G CA 0.140 45.298 45.100 0.096 0.000 0.651 110 G HN 1.573 nan 8.290 nan 0.000 0.523 111 F N -1.369 118.604 119.950 0.038 0.000 2.650 111 F HA 0.828 5.355 4.527 -0.000 0.000 0.310 111 F C -0.563 175.132 175.800 -0.175 0.000 1.112 111 F CA -1.760 56.223 58.000 -0.028 0.000 0.986 111 F CB 0.903 40.005 39.000 0.170 0.000 1.285 111 F HN 0.092 nan 8.300 nan 0.000 0.440 112 R N 1.888 122.308 120.500 -0.134 0.000 2.803 112 R HA 0.515 4.855 4.340 -0.000 0.000 0.276 112 R C -1.355 174.721 176.300 -0.374 0.000 0.978 112 R CA -1.035 54.951 56.100 -0.190 0.000 0.939 112 R CB 2.289 32.553 30.300 -0.061 0.000 1.179 112 R HN 0.641 nan 8.270 nan 0.000 0.472 113 F N 1.245 120.943 119.950 -0.420 0.000 2.595 113 F HA -0.036 4.491 4.527 -0.000 0.000 0.359 113 F C 1.519 177.164 175.800 -0.258 0.000 1.147 113 F CA 0.863 58.596 58.000 -0.445 0.000 1.341 113 F CB 0.401 39.212 39.000 -0.316 0.000 1.104 113 F HN 0.375 nan 8.300 nan 0.000 0.603 114 N N 3.319 121.965 118.700 -0.089 0.000 2.818 114 N HA 0.086 4.826 4.740 -0.000 0.000 0.301 114 N C -1.336 174.067 175.510 -0.177 0.000 1.821 114 N CA -0.261 52.740 53.050 -0.081 0.000 0.930 114 N CB 0.101 38.549 38.487 -0.065 0.000 1.263 114 N HN 0.507 nan 8.380 nan 0.000 0.487 115 Y N 1.264 121.491 120.300 -0.121 0.000 2.677 115 Y HA -0.053 4.497 4.550 -0.000 0.000 0.335 115 Y C 1.593 177.278 175.900 -0.359 0.000 1.162 115 Y CA 0.164 58.047 58.100 -0.363 0.000 1.483 115 Y CB 0.476 38.717 38.460 -0.365 0.000 1.209 115 Y HN 0.174 nan 8.280 nan 0.000 0.528 116 T N -0.299 114.095 114.554 -0.266 0.000 2.945 116 T HA 0.266 4.616 4.350 -0.000 0.000 0.286 116 T C 0.983 175.456 174.700 -0.379 0.000 1.025 116 T CA -0.973 60.844 62.100 -0.471 0.000 1.039 116 T CB 1.650 70.355 68.868 -0.271 0.000 1.068 116 T HN 0.719 nan 8.240 nan 0.000 0.497 117 K N 1.150 121.217 120.400 -0.555 0.000 2.059 117 K HA -0.275 4.045 4.320 -0.000 0.000 0.212 117 K C 1.589 178.218 176.600 0.048 0.000 1.050 117 K CA 2.094 58.340 56.287 -0.068 0.000 0.927 117 K CB -0.509 32.023 32.500 0.053 0.000 0.714 117 K HN 0.657 nan 8.250 nan 0.000 0.447 118 E N 0.472 120.675 120.200 0.004 0.000 2.085 118 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 118 E C 1.742 178.403 176.600 0.102 0.000 0.994 118 E CA 1.520 57.949 56.400 0.048 0.000 0.801 118 E CB -0.348 29.363 29.700 0.018 0.000 0.743 118 E HN 0.419 nan 8.360 nan 0.000 0.453 119 F N -0.215 119.702 119.950 -0.055 0.000 2.102 119 F HA -0.138 4.389 4.527 0.000 0.000 0.298 119 F C 1.739 177.534 175.800 -0.008 0.000 1.105 119 F CA 1.444 59.422 58.000 -0.038 0.000 1.239 119 F CB -0.202 38.701 39.000 -0.161 0.000 0.991 119 F HN -0.012 nan 8.300 nan 0.000 0.474 120 F N 0.082 120.074 119.950 0.070 0.000 2.259 120 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 120 F C 2.196 177.884 175.800 -0.186 0.000 1.088 120 F CA 1.090 58.991 58.000 -0.164 0.000 1.358 120 F CB -0.633 38.255 39.000 -0.187 0.000 1.040 120 F HN 0.004 nan 8.300 nan 0.000 0.505 121 N N -0.869 117.889 118.700 0.097 0.000 2.443 121 N HA -0.237 4.503 4.740 -0.000 0.000 0.184 121 N C 1.482 177.025 175.510 0.055 0.000 1.037 121 N CA 0.968 54.035 53.050 0.028 0.000 0.896 121 N CB -0.183 38.342 38.487 0.062 0.000 0.959 121 N HN 0.400 nan 8.380 nan 0.000 0.442 122 W N 0.173 121.384 121.300 -0.149 0.000 2.588 122 W HA 0.363 5.023 4.660 -0.000 0.000 0.277 122 W C 2.040 178.458 176.519 -0.168 0.000 1.221 122 W CA 0.784 58.032 57.345 -0.162 0.000 1.355 122 W CB -0.418 28.873 29.460 -0.282 0.000 1.083 122 W HN 0.020 nan 8.180 nan 0.000 0.581 123 A N 0.360 122.950 122.820 -0.383 0.000 1.874 123 A HA -0.024 4.296 4.320 -0.000 0.000 0.214 123 A C 1.914 179.351 177.584 -0.244 0.000 1.189 123 A CA 1.581 53.339 52.037 -0.464 0.000 0.615 123 A CB -0.880 17.960 19.000 -0.266 0.000 0.830 123 A HN 0.294 nan 8.150 nan 0.000 0.443 124 L N -1.222 119.869 121.223 -0.221 0.000 2.509 124 L HA 0.104 4.444 4.340 -0.000 0.000 0.222 124 L C 1.683 178.234 176.870 -0.532 0.000 1.123 124 L CA 0.408 55.072 54.840 -0.294 0.000 0.856 124 L CB -0.119 41.615 42.059 -0.541 0.000 0.985 124 L HN 0.130 nan 8.230 nan 0.000 0.456 125 K N 0.622 120.672 120.400 -0.584 0.000 2.437 125 K HA 0.121 4.441 4.320 -0.000 0.000 0.198 125 K C 0.668 176.933 176.600 -0.559 0.000 1.024 125 K CA -0.054 55.730 56.287 -0.837 0.000 1.148 125 K CB 0.337 32.590 32.500 -0.411 0.000 0.860 125 K HN 0.079 nan 8.250 nan 0.000 0.515 126 S N 2.649 118.125 115.700 -0.374 0.000 2.558 126 S HA 0.039 4.509 4.470 -0.000 0.000 0.293 126 S C -2.426 172.159 174.600 -0.025 0.000 1.292 126 S CA -0.970 57.054 58.200 -0.294 0.000 1.063 126 S CB 0.345 63.522 63.200 -0.039 0.000 0.831 126 S HN 0.004 nan 8.310 nan 0.000 0.499 127 P HA 0.172 nan 4.420 nan 0.000 0.265 127 P C 0.890 178.250 177.300 0.101 0.000 1.187 127 P CA 1.189 64.319 63.100 0.049 0.000 0.766 127 P CB 0.115 31.823 31.700 0.013 0.000 0.820 128 G N 1.010 109.824 108.800 0.023 0.000 2.162 128 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.260 128 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.260 128 G C 0.008 174.862 174.900 -0.077 0.000 0.976 128 G CA -0.107 44.955 45.100 -0.064 0.000 0.655 128 G HN 0.665 nan 8.290 nan 0.000 0.533 129 W N 0.361 121.604 121.300 -0.094 0.000 2.210 129 W HA 0.762 5.422 4.660 0.000 0.000 0.330 129 W C -0.138 176.225 176.519 -0.261 0.000 1.334 129 W CA -0.929 56.355 57.345 -0.101 0.000 1.227 129 W CB 0.504 29.950 29.460 -0.022 0.000 1.178 129 W HN 0.020 nan 8.180 nan 0.000 0.560 130 K N 3.476 123.661 120.400 -0.358 0.000 2.182 130 K HA 0.165 4.485 4.320 -0.000 0.000 0.262 130 K C 1.095 177.466 176.600 -0.381 0.000 0.957 130 K CA -0.744 55.143 56.287 -0.667 0.000 0.842 130 K CB 1.550 33.300 32.500 -1.251 0.000 1.099 130 K HN 0.574 nan 8.250 nan 0.000 0.438 131 K N 1.033 121.260 120.400 -0.288 0.000 2.296 131 K HA 0.004 4.324 4.320 -0.000 0.000 0.200 131 K C 0.014 176.580 176.600 -0.056 0.000 1.048 131 K CA 1.285 57.552 56.287 -0.033 0.000 0.966 131 K CB 0.139 32.734 32.500 0.160 0.000 0.754 131 K HN 0.361 nan 8.250 nan 0.000 0.466 132 D N -0.165 120.146 120.400 -0.149 0.000 2.371 132 D HA -0.086 4.554 4.640 -0.000 0.000 0.234 132 D C 0.036 176.428 176.300 0.152 0.000 1.049 132 D CA 0.560 54.528 54.000 -0.053 0.000 0.907 132 D CB -0.015 40.707 40.800 -0.131 0.000 0.891 132 D HN 0.394 nan 8.370 nan 0.000 0.531 133 W N -0.174 121.018 121.300 -0.180 0.000 2.870 133 W HA 0.149 4.809 4.660 -0.000 0.000 0.358 133 W C 0.159 176.626 176.519 -0.087 0.000 1.043 133 W CA -0.336 56.907 57.345 -0.170 0.000 1.692 133 W CB -0.169 29.191 29.460 -0.167 0.000 1.100 133 W HN 0.015 nan 8.180 nan 0.000 0.557 134 H N 0.739 119.903 119.070 0.156 0.000 2.565 134 H HA 0.307 4.863 4.556 -0.000 0.000 0.231 134 H C 0.560 175.821 175.328 -0.112 0.000 1.692 134 H CA -0.695 55.349 56.048 -0.007 0.000 1.269 134 H CB -0.572 29.314 29.762 0.206 0.000 1.615 134 H HN -0.155 nan 8.280 nan 0.000 0.554 135 I N 1.085 121.564 120.570 -0.151 0.000 2.752 135 I HA 0.127 4.297 4.170 -0.000 0.000 0.287 135 I C 1.134 177.213 176.117 -0.064 0.000 1.188 135 I CA 0.609 61.861 61.300 -0.080 0.000 1.427 135 I CB 0.780 38.718 38.000 -0.104 0.000 1.365 135 I HN 0.470 nan 8.210 nan 0.000 0.585 136 G N 4.766 113.669 108.800 0.173 0.000 2.660 136 G HA2 0.620 4.580 3.960 -0.000 0.000 0.294 136 G HA3 0.620 4.580 3.960 -0.000 0.000 0.294 136 G C -1.655 173.363 174.900 0.197 0.000 1.369 136 G CA -0.358 44.878 45.100 0.227 0.000 0.912 136 G HN 0.352 nan 8.290 nan 0.000 0.479 137 V N 1.118 121.087 119.914 0.092 0.000 2.487 137 V HA 0.577 4.697 4.120 -0.000 0.000 0.298 137 V C -0.099 176.007 176.094 0.021 0.000 1.028 137 V CA -0.781 61.492 62.300 -0.044 0.000 0.860 137 V CB 1.550 33.224 31.823 -0.248 0.000 0.991 137 V HN 0.734 nan 8.190 nan 0.000 0.427 138 R N 2.719 123.244 120.500 0.042 0.000 2.711 138 R HA 0.669 5.009 4.340 -0.000 0.000 0.284 138 R C -1.061 175.299 176.300 0.101 0.000 0.968 138 R CA -0.893 55.245 56.100 0.064 0.000 0.924 138 R CB 2.434 32.754 30.300 0.034 0.000 1.162 138 R HN 0.503 nan 8.270 nan 0.000 0.465 139 V N 3.927 123.879 119.914 0.062 0.000 2.529 139 V HA -0.056 4.064 4.120 -0.000 0.000 0.292 139 V C 1.520 177.555 176.094 -0.099 0.000 1.028 139 V CA 0.365 62.624 62.300 -0.068 0.000 1.074 139 V CB 0.780 32.542 31.823 -0.101 0.000 0.958 139 V HN 0.765 nan 8.190 nan 0.000 0.481 140 K N 3.136 123.443 120.400 -0.155 0.000 2.000 140 K HA -0.222 4.098 4.320 -0.000 0.000 0.218 140 K C 1.968 178.514 176.600 -0.089 0.000 1.053 140 K CA 2.270 58.490 56.287 -0.112 0.000 0.946 140 K CB -0.054 32.365 32.500 -0.134 0.000 0.723 140 K HN 0.734 nan 8.250 nan 0.000 0.446 141 E N -0.648 119.489 120.200 -0.106 0.000 2.150 141 E HA -0.149 4.200 4.350 -0.000 0.000 0.193 141 E C 2.036 178.598 176.600 -0.064 0.000 0.985 141 E CA 1.675 58.027 56.400 -0.080 0.000 0.814 141 E CB 0.062 29.710 29.700 -0.086 0.000 0.752 141 E HN 0.528 nan 8.360 nan 0.000 0.466 142 T N -2.555 111.957 114.554 -0.070 0.000 3.031 142 T HA -0.052 4.298 4.350 -0.000 0.000 0.254 142 T C 0.825 175.500 174.700 -0.041 0.000 1.060 142 T CA 0.084 62.152 62.100 -0.054 0.000 1.135 142 T CB 0.350 69.182 68.868 -0.060 0.000 0.896 142 T HN -0.109 nan 8.240 nan 0.000 0.472 143 Q N 0.311 120.088 119.800 -0.039 0.000 2.487 143 Q HA -0.116 4.224 4.340 -0.000 0.000 0.279 143 Q C -0.426 175.562 176.000 -0.020 0.000 1.228 143 Q CA 0.746 56.535 55.803 -0.024 0.000 0.873 143 Q CB -1.944 26.784 28.738 -0.018 0.000 1.260 143 Q HN 0.715 nan 8.270 nan 0.000 0.471 144 K N 0.584 120.969 120.400 -0.025 0.000 2.185 144 K HA 0.467 4.787 4.320 -0.000 0.000 0.269 144 K C -0.225 176.372 176.600 -0.004 0.000 0.987 144 K CA -0.762 55.511 56.287 -0.023 0.000 0.865 144 K CB 0.764 33.241 32.500 -0.039 0.000 1.090 144 K HN 0.088 nan 8.250 nan 0.000 0.450 145 L N 6.188 127.412 121.223 0.002 0.000 2.315 145 L HA 0.099 4.439 4.340 -0.000 0.000 0.283 145 L C 0.515 177.412 176.870 0.045 0.000 1.089 145 L CA 0.243 55.099 54.840 0.027 0.000 0.833 145 L CB 1.238 43.306 42.059 0.016 0.000 1.170 145 L HN 0.614 nan 8.230 nan 0.000 0.442 146 V N 2.220 122.165 119.914 0.052 0.000 3.565 146 V HA 0.680 4.800 4.120 -0.000 0.000 0.260 146 V C 0.601 176.743 176.094 0.079 0.000 1.231 146 V CA 0.593 62.932 62.300 0.065 0.000 1.100 146 V CB -0.350 31.489 31.823 0.027 0.000 0.807 146 V HN 0.812 nan 8.190 nan 0.000 0.454 147 A N -0.138 122.720 122.820 0.063 0.000 2.515 147 A HA 0.845 5.165 4.320 -0.000 0.000 0.298 147 A C -1.612 176.092 177.584 0.200 0.000 1.059 147 A CA -0.514 51.576 52.037 0.087 0.000 0.698 147 A CB 2.148 21.135 19.000 -0.023 0.000 1.289 147 A HN 0.741 nan 8.150 nan 0.000 0.404 148 F N 1.838 121.808 119.950 0.033 0.000 2.839 148 F HA 0.619 5.146 4.527 -0.000 0.000 0.344 148 F C -1.509 174.327 175.800 0.059 0.000 1.242 148 F CA -0.369 57.651 58.000 0.033 0.000 1.091 148 F CB 0.947 39.931 39.000 -0.027 0.000 1.374 148 F HN 0.661 nan 8.300 nan 0.000 0.553 149 I N 4.629 124.945 120.570 -0.423 0.000 2.603 149 I HA 0.734 4.904 4.170 -0.000 0.000 0.300 149 I C -1.129 174.630 176.117 -0.596 0.000 1.017 149 I CA -0.304 60.788 61.300 -0.346 0.000 1.098 149 I CB 1.860 39.763 38.000 -0.161 0.000 1.279 149 I HN 0.561 nan 8.210 nan 0.000 0.437 150 S N 4.977 120.497 115.700 -0.300 0.000 2.546 150 S HA 0.897 5.367 4.470 -0.000 0.000 0.274 150 S C -1.463 173.174 174.600 0.062 0.000 1.121 150 S CA -0.337 57.794 58.200 -0.115 0.000 0.887 150 S CB 1.718 64.924 63.200 0.010 0.000 1.094 150 S HN 0.852 nan 8.310 nan 0.000 0.474 151 A N 4.327 127.240 122.820 0.154 0.000 2.442 151 A HA 0.620 4.940 4.320 -0.000 0.000 0.284 151 A C -0.459 177.279 177.584 0.256 0.000 1.058 151 A CA -0.765 51.326 52.037 0.090 0.000 0.738 151 A CB 0.691 19.587 19.000 -0.172 0.000 1.242 151 A HN 0.973 nan 8.150 nan 0.000 0.421 152 I N 0.826 121.548 120.570 0.253 0.000 2.499 152 I HA 0.668 4.838 4.170 -0.000 0.000 0.296 152 I C -2.708 173.532 176.117 0.204 0.000 0.992 152 I CA -2.536 58.937 61.300 0.289 0.000 1.297 152 I CB 1.235 39.369 38.000 0.223 0.000 1.410 152 I HN 0.261 nan 8.210 nan 0.000 0.507 153 P HA 0.427 nan 4.420 nan 0.000 0.288 153 P C -0.614 176.751 177.300 0.109 0.000 1.267 153 P CA -0.202 63.013 63.100 0.191 0.000 0.815 153 P CB 1.987 33.879 31.700 0.319 0.000 0.989 154 V N -0.676 119.281 119.914 0.072 0.000 3.181 154 V HA 0.881 5.001 4.120 -0.000 0.000 0.308 154 V C -0.680 175.442 176.094 0.045 0.000 1.214 154 V CA -0.949 61.368 62.300 0.028 0.000 1.053 154 V CB 1.685 33.503 31.823 -0.009 0.000 1.069 154 V HN 0.670 nan 8.190 nan 0.000 0.441 155 T N 0.855 115.425 114.554 0.027 0.000 2.792 155 T HA 0.759 5.109 4.350 -0.000 0.000 0.280 155 T C -0.540 174.185 174.700 0.040 0.000 0.990 155 T CA -0.547 61.586 62.100 0.054 0.000 0.960 155 T CB 0.988 69.897 68.868 0.069 0.000 0.939 155 T HN 0.794 nan 8.240 nan 0.000 0.439 156 L N 2.603 123.851 121.223 0.042 0.000 2.375 156 L HA 0.723 5.063 4.340 -0.000 0.000 0.268 156 L C 1.051 177.925 176.870 0.007 0.000 1.058 156 L CA -1.138 53.714 54.840 0.021 0.000 0.803 156 L CB 1.521 43.573 42.059 -0.012 0.000 1.212 156 L HN 0.995 nan 8.230 nan 0.000 0.451 157 G N 1.094 109.899 108.800 0.008 0.000 4.829 157 G HA2 0.381 4.341 3.960 -0.000 0.000 0.320 157 G HA3 0.381 4.341 3.960 -0.000 0.000 0.320 157 G C -0.314 174.563 174.900 -0.039 0.000 1.445 157 G CA -0.211 44.888 45.100 -0.002 0.000 1.151 157 G HN 0.285 nan 8.290 nan 0.000 0.572 158 V N 1.499 121.347 119.914 -0.111 0.000 2.359 158 V HA 0.151 4.271 4.120 -0.000 0.000 0.248 158 V C 1.273 177.327 176.094 -0.067 0.000 1.091 158 V CA -0.190 62.017 62.300 -0.155 0.000 1.103 158 V CB -0.926 30.644 31.823 -0.421 0.000 1.176 158 V HN 0.860 nan 8.190 nan 0.000 0.488 159 R N 3.830 124.308 120.500 -0.036 0.000 3.059 159 R HA -0.240 4.100 4.340 -0.000 0.000 0.251 159 R C 1.443 177.737 176.300 -0.010 0.000 0.886 159 R CA 0.542 56.631 56.100 -0.018 0.000 0.634 159 R CB -1.345 28.952 30.300 -0.006 0.000 1.282 159 R HN 1.298 nan 8.270 nan 0.000 0.487 160 G N 0.105 108.896 108.800 -0.015 0.000 2.480 160 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.246 160 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.246 160 G C 0.246 175.151 174.900 0.009 0.000 1.073 160 G CA 0.815 45.909 45.100 -0.009 0.000 0.643 160 G HN 0.427 nan 8.290 nan 0.000 0.525 161 K N 1.564 121.976 120.400 0.021 0.000 2.383 161 K HA 0.281 4.601 4.320 -0.000 0.000 0.286 161 K C 0.550 177.171 176.600 0.035 0.000 1.051 161 K CA -0.123 56.192 56.287 0.047 0.000 0.974 161 K CB 0.758 33.317 32.500 0.097 0.000 0.968 161 K HN 0.509 nan 8.250 nan 0.000 0.475 162 Q N 2.476 122.307 119.800 0.051 0.000 2.304 162 Q HA 0.193 4.533 4.340 -0.000 0.000 0.260 162 Q C -1.168 174.882 176.000 0.083 0.000 0.965 162 Q CA -0.337 55.501 55.803 0.057 0.000 0.898 162 Q CB 0.877 29.656 28.738 0.067 0.000 1.196 162 Q HN 0.276 nan 8.270 nan 0.000 0.402 163 V N 7.251 127.207 119.914 0.069 0.000 2.439 163 V HA 0.324 4.444 4.120 -0.000 0.000 0.277 163 V C -2.340 173.860 176.094 0.178 0.000 1.008 163 V CA -1.537 60.833 62.300 0.117 0.000 0.846 163 V CB 1.287 33.058 31.823 -0.086 0.000 1.031 163 V HN 0.846 nan 8.190 nan 0.000 0.441 164 P HA 0.214 nan 4.420 nan 0.000 0.269 164 P C -0.096 177.339 177.300 0.224 0.000 1.263 164 P CA 0.636 63.852 63.100 0.194 0.000 0.813 164 P CB 0.895 32.700 31.700 0.175 0.000 0.868 165 S N 2.836 118.636 115.700 0.167 0.000 2.911 165 S HA 0.750 5.220 4.470 -0.000 0.000 0.319 165 S C -0.656 173.985 174.600 0.069 0.000 1.154 165 S CA -0.825 57.470 58.200 0.158 0.000 0.857 165 S CB 1.598 64.932 63.200 0.223 0.000 1.279 165 S HN 0.301 nan 8.310 nan 0.000 0.593 166 V N 0.070 120.009 119.914 0.042 0.000 3.049 166 V HA 0.530 4.650 4.120 -0.000 0.000 0.309 166 V C -1.797 174.313 176.094 0.027 0.000 1.148 166 V CA -0.686 61.601 62.300 -0.021 0.000 0.990 166 V CB 2.131 33.824 31.823 -0.216 0.000 1.039 166 V HN 0.976 nan 8.190 nan 0.000 0.430 167 E N 4.668 124.892 120.200 0.039 0.000 2.081 167 E HA 0.424 4.774 4.350 -0.000 0.000 0.276 167 E C -1.097 175.526 176.600 0.038 0.000 0.950 167 E CA -0.421 56.022 56.400 0.071 0.000 0.776 167 E CB 1.882 31.635 29.700 0.088 0.000 1.094 167 E HN 0.460 nan 8.360 nan 0.000 0.402 168 I N 3.680 124.273 120.570 0.038 0.000 2.365 168 I HA 0.172 4.342 4.170 -0.000 0.000 0.291 168 I C 0.298 176.416 176.117 0.003 0.000 1.004 168 I CA 0.183 61.479 61.300 -0.007 0.000 1.311 168 I CB 0.529 38.490 38.000 -0.064 0.000 1.401 168 I HN 0.463 nan 8.210 nan 0.000 0.491 169 N N 4.052 122.734 118.700 -0.030 0.000 2.927 169 N HA 0.305 5.045 4.740 -0.000 0.000 0.248 169 N C -0.666 174.849 175.510 0.007 0.000 1.443 169 N CA -0.418 52.534 53.050 -0.164 0.000 0.870 169 N CB 1.564 39.733 38.487 -0.530 0.000 1.444 169 N HN 0.369 nan 8.380 nan 0.000 0.519 170 F N -0.924 119.178 119.950 0.253 0.000 2.988 170 F HA -0.207 4.320 4.527 -0.000 0.000 0.287 170 F C 0.701 176.713 175.800 0.353 0.000 0.781 170 F CA -0.001 58.177 58.000 0.296 0.000 1.221 170 F CB -1.630 37.506 39.000 0.226 0.000 1.392 170 F HN 0.384 nan 8.300 nan 0.000 0.425 171 L N 0.795 122.229 121.223 0.352 0.000 2.601 171 L HA 0.159 4.499 4.340 -0.000 0.000 0.277 171 L C 0.347 177.410 176.870 0.321 0.000 1.219 171 L CA 0.710 55.695 54.840 0.241 0.000 0.915 171 L CB 0.559 42.690 42.059 0.120 0.000 1.160 171 L HN 0.533 nan 8.230 nan 0.000 0.494 172 C N 4.824 124.291 119.300 0.279 0.000 2.871 172 C HA 0.555 5.015 4.460 -0.000 0.000 0.378 172 C C -0.628 174.461 174.990 0.164 0.000 1.052 172 C CA -0.586 58.584 59.018 0.254 0.000 1.250 172 C CB 1.351 29.314 27.740 0.371 0.000 1.689 172 C HN 0.588 nan 8.230 nan 0.000 0.506 173 V N 5.227 125.204 119.914 0.104 0.000 2.495 173 V HA 0.375 4.495 4.120 -0.000 0.000 0.298 173 V C 0.157 176.310 176.094 0.098 0.000 1.031 173 V CA -0.462 61.884 62.300 0.076 0.000 0.871 173 V CB 1.504 33.339 31.823 0.019 0.000 0.988 173 V HN 0.977 nan 8.190 nan 0.000 0.432 174 H N 3.566 122.653 119.070 0.028 0.000 3.115 174 H HA -0.023 4.533 4.556 -0.000 0.000 0.324 174 H C 1.304 176.647 175.328 0.025 0.000 1.007 174 H CA 1.016 57.085 56.048 0.034 0.000 1.385 174 H CB 0.671 30.452 29.762 0.033 0.000 1.351 174 H HN 0.643 nan 8.280 nan 0.000 0.592 175 K N 2.776 122.946 120.400 -0.382 0.000 2.034 175 K HA -0.266 4.054 4.320 -0.000 0.000 0.214 175 K C 1.756 178.359 176.600 0.005 0.000 1.051 175 K CA 2.127 58.306 56.287 -0.181 0.000 0.931 175 K CB -0.058 32.299 32.500 -0.238 0.000 0.715 175 K HN 0.715 nan 8.250 nan 0.000 0.446 176 Q N 0.446 120.348 119.800 0.171 0.000 2.515 176 Q HA -0.008 4.332 4.340 -0.000 0.000 0.214 176 Q C 0.577 176.690 176.000 0.188 0.000 0.971 176 Q CA 0.434 56.371 55.803 0.222 0.000 0.952 176 Q CB 0.129 29.030 28.738 0.271 0.000 0.999 176 Q HN 0.366 nan 8.270 nan 0.000 0.524 177 L N -3.656 117.677 121.223 0.183 0.000 3.313 177 L HA 0.489 4.829 4.340 -0.000 0.000 0.339 177 L C -0.443 176.452 176.870 0.041 0.000 1.309 177 L CA -0.720 54.176 54.840 0.094 0.000 0.867 177 L CB 0.381 42.494 42.059 0.090 0.000 1.316 177 L HN -0.165 nan 8.230 nan 0.000 0.604 178 R N -0.056 120.468 120.500 0.040 0.000 2.580 178 R HA 0.481 4.821 4.340 -0.000 0.000 0.267 178 R C 0.792 177.097 176.300 0.008 0.000 1.125 178 R CA 0.173 56.281 56.100 0.013 0.000 1.188 178 R CB 0.690 30.997 30.300 0.012 0.000 1.155 178 R HN 0.401 nan 8.270 nan 0.000 0.586 179 S N -0.351 115.350 115.700 0.002 0.000 3.521 179 S HA -0.154 4.316 4.470 -0.000 0.000 0.328 179 S C 0.249 174.846 174.600 -0.005 0.000 1.165 179 S CA 1.400 59.602 58.200 0.003 0.000 0.941 179 S CB -0.891 62.316 63.200 0.011 0.000 0.951 179 S HN 0.546 nan 8.310 nan 0.000 0.539 180 K N 0.387 120.774 120.400 -0.022 0.000 2.478 180 K HA 0.304 4.624 4.320 -0.000 0.000 0.205 180 K C 0.545 177.107 176.600 -0.063 0.000 1.033 180 K CA -0.474 55.793 56.287 -0.034 0.000 1.091 180 K CB 0.324 32.803 32.500 -0.035 0.000 0.844 180 K HN 0.224 nan 8.250 nan 0.000 0.507 181 R N -0.642 119.818 120.500 -0.067 0.000 3.758 181 R HA -0.215 4.125 4.340 -0.000 0.000 0.299 181 R C 0.620 176.826 176.300 -0.157 0.000 1.182 181 R CA 0.436 56.475 56.100 -0.101 0.000 0.809 181 R CB -2.536 27.716 30.300 -0.079 0.000 1.249 181 R HN 0.228 nan 8.270 nan 0.000 0.497 182 L N 0.318 121.449 121.223 -0.154 0.000 2.341 182 L HA 0.005 4.345 4.340 -0.000 0.000 0.214 182 L C 1.961 178.717 176.870 -0.190 0.000 1.115 182 L CA 1.974 56.702 54.840 -0.187 0.000 0.820 182 L CB -0.033 41.900 42.059 -0.210 0.000 0.944 182 L HN 0.220 nan 8.230 nan 0.000 0.452 183 T N 0.096 114.536 114.554 -0.190 0.000 2.674 183 T HA -0.105 4.245 4.350 -0.000 0.000 0.265 183 T C -0.448 173.994 174.700 -0.430 0.000 1.039 183 T CA 1.564 63.535 62.100 -0.215 0.000 1.150 183 T CB -1.227 67.565 68.868 -0.127 0.000 0.864 183 T HN 0.207 nan 8.240 nan 0.000 0.427 184 P HA -0.100 nan 4.420 nan 0.000 0.216 184 P C 1.674 178.513 177.300 -0.768 0.000 1.154 184 P CA 0.826 63.056 63.100 -1.449 0.000 0.865 184 P CB -0.337 30.624 31.700 -1.232 0.000 0.789 185 V N -0.857 118.830 119.914 -0.378 0.000 2.295 185 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 185 V C 2.501 178.570 176.094 -0.042 0.000 1.049 185 V CA 1.678 63.905 62.300 -0.123 0.000 1.024 185 V CB -1.488 30.325 31.823 -0.017 0.000 0.648 185 V HN 0.047 nan 8.190 nan 0.000 0.447 186 L N -0.395 120.793 121.223 -0.058 0.000 2.012 186 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 186 L C 2.547 179.317 176.870 -0.166 0.000 1.073 186 L CA 1.459 56.279 54.840 -0.035 0.000 0.748 186 L CB -0.670 41.360 42.059 -0.047 0.000 0.891 186 L HN 0.248 nan 8.230 nan 0.000 0.431 187 I N 0.236 120.663 120.570 -0.240 0.000 2.076 187 I HA -0.316 3.854 4.170 -0.000 0.000 0.237 187 I C 2.520 178.507 176.117 -0.217 0.000 1.059 187 I CA 1.793 62.944 61.300 -0.249 0.000 1.317 187 I CB -1.075 36.789 38.000 -0.226 0.000 1.037 187 I HN 0.299 nan 8.210 nan 0.000 0.398 188 K N 0.309 120.632 120.400 -0.129 0.000 2.074 188 K HA -0.267 4.053 4.320 -0.000 0.000 0.209 188 K C 2.090 178.586 176.600 -0.174 0.000 1.048 188 K CA 1.948 58.187 56.287 -0.080 0.000 0.926 188 K CB -0.174 32.321 32.500 -0.009 0.000 0.713 188 K HN 0.206 nan 8.250 nan 0.000 0.444 189 E N 1.223 121.281 120.200 -0.236 0.000 2.046 189 E HA -0.145 4.205 4.350 -0.000 0.000 0.190 189 E C 1.762 178.136 176.600 -0.377 0.000 0.982 189 E CA 0.817 56.988 56.400 -0.383 0.000 0.800 189 E CB -0.150 29.139 29.700 -0.686 0.000 0.756 189 E HN 0.185 nan 8.360 nan 0.000 0.449 190 I N 0.289 120.650 120.570 -0.348 0.000 2.361 190 I HA -0.213 3.957 4.170 -0.000 0.000 0.251 190 I C 1.860 177.725 176.117 -0.420 0.000 1.133 190 I CA 1.432 62.507 61.300 -0.374 0.000 1.413 190 I CB -0.437 37.354 38.000 -0.348 0.000 1.073 190 I HN 0.116 nan 8.210 nan 0.000 0.424 191 T N 0.492 114.819 114.554 -0.378 0.000 2.643 191 T HA -0.233 4.117 4.350 -0.000 0.000 0.264 191 T C 2.079 176.605 174.700 -0.290 0.000 1.045 191 T CA 1.626 63.508 62.100 -0.363 0.000 1.155 191 T CB -0.376 68.315 68.868 -0.295 0.000 0.863 191 T HN 0.326 nan 8.240 nan 0.000 0.420 192 R N 0.879 121.243 120.500 -0.226 0.000 2.133 192 R HA -0.140 4.200 4.340 -0.000 0.000 0.247 192 R C 2.543 178.733 176.300 -0.183 0.000 1.151 192 R CA 1.533 57.526 56.100 -0.179 0.000 0.971 192 R CB -0.077 30.122 30.300 -0.168 0.000 0.866 192 R HN 0.384 nan 8.270 nan 0.000 0.447 193 R N -0.796 119.582 120.500 -0.203 0.000 2.093 193 R HA -0.012 4.328 4.340 -0.000 0.000 0.224 193 R C 2.268 178.556 176.300 -0.019 0.000 1.101 193 R CA 1.082 57.146 56.100 -0.061 0.000 0.979 193 R CB -0.058 30.264 30.300 0.035 0.000 0.877 193 R HN 0.089 nan 8.270 nan 0.000 0.441 194 V N 1.611 121.308 119.914 -0.362 0.000 2.548 194 V HA -0.171 3.949 4.120 -0.000 0.000 0.249 194 V C 1.663 177.481 176.094 -0.461 0.000 1.055 194 V CA 1.560 63.533 62.300 -0.544 0.000 1.065 194 V CB -0.535 30.783 31.823 -0.842 0.000 0.681 194 V HN 0.386 nan 8.190 nan 0.000 0.462 195 N N -0.160 118.240 118.700 -0.500 0.000 2.188 195 N HA -0.190 4.550 4.740 -0.000 0.000 0.184 195 N C 1.922 177.082 175.510 -0.583 0.000 1.018 195 N CA 0.909 53.504 53.050 -0.758 0.000 0.858 195 N CB -0.080 38.139 38.487 -0.447 0.000 0.989 195 N HN 0.367 nan 8.380 nan 0.000 0.426 196 K N 0.567 120.807 120.400 -0.267 0.000 2.283 196 K HA 0.007 4.327 4.320 -0.000 0.000 0.202 196 K C 0.746 177.285 176.600 -0.102 0.000 1.048 196 K CA 0.584 56.793 56.287 -0.130 0.000 0.948 196 K CB 0.063 32.525 32.500 -0.062 0.000 0.742 196 K HN 0.204 nan 8.250 nan 0.000 0.458 197 C N 1.450 120.696 119.300 -0.090 0.000 2.614 197 C HA 0.121 4.581 4.460 -0.000 0.000 0.299 197 C C 0.062 174.996 174.990 -0.093 0.000 1.293 197 C CA -0.228 58.785 59.018 -0.009 0.000 1.713 197 C CB -1.175 26.706 27.740 0.237 0.000 1.890 197 C HN 0.563 nan 8.230 nan 0.000 0.602 198 D N -0.179 120.038 120.400 -0.306 0.000 3.099 198 D HA -0.158 4.482 4.640 -0.000 0.000 0.213 198 D C -0.306 175.800 176.300 -0.323 0.000 1.121 198 D CA 0.798 54.637 54.000 -0.268 0.000 0.951 198 D CB -1.243 39.605 40.800 0.079 0.000 1.102 198 D HN 0.483 nan 8.370 nan 0.000 0.423 199 I N -0.075 120.145 120.570 -0.583 0.000 2.404 199 I HA 0.239 4.409 4.170 -0.000 0.000 0.293 199 I C 0.749 176.519 176.117 -0.579 0.000 0.992 199 I CA -0.659 60.442 61.300 -0.332 0.000 1.149 199 I CB 1.409 39.302 38.000 -0.178 0.000 1.315 199 I HN -0.004 nan 8.210 nan 0.000 0.446 200 W N 4.531 125.679 121.300 -0.253 0.000 2.870 200 W HA 0.230 4.889 4.660 -0.000 0.000 0.358 200 W C 0.275 176.605 176.519 -0.314 0.000 1.043 200 W CA -0.038 57.118 57.345 -0.314 0.000 1.692 200 W CB 0.410 29.670 29.460 -0.333 0.000 1.100 200 W HN 0.526 nan 8.180 nan 0.000 0.557 201 H N -0.341 118.920 119.070 0.319 0.000 2.908 201 H HA 0.756 5.312 4.556 -0.000 0.000 0.350 201 H C -0.560 174.915 175.328 0.245 0.000 1.217 201 H CA -0.743 55.511 56.048 0.342 0.000 1.168 201 H CB 1.777 31.720 29.762 0.301 0.000 1.891 201 H HN -0.244 nan 8.280 nan 0.000 0.566 202 A N 0.924 124.010 122.820 0.443 0.000 2.605 202 A HA 0.432 4.752 4.320 -0.000 0.000 0.294 202 A C -1.940 175.851 177.584 0.345 0.000 1.062 202 A CA -0.578 51.638 52.037 0.299 0.000 0.682 202 A CB 1.683 20.802 19.000 0.198 0.000 1.278 202 A HN 0.429 nan 8.150 nan 0.000 0.410 203 L N 2.430 123.808 121.223 0.258 0.000 2.298 203 L HA 0.826 5.166 4.340 -0.000 0.000 0.284 203 L C -1.274 175.772 176.870 0.294 0.000 1.013 203 L CA -0.292 54.689 54.840 0.234 0.000 0.824 203 L CB 0.905 43.069 42.059 0.175 0.000 1.221 203 L HN 0.799 nan 8.230 nan 0.000 0.418 204 Y N 1.589 121.997 120.300 0.181 0.000 2.406 204 Y HA 0.786 5.336 4.550 -0.000 0.000 0.340 204 Y C -0.423 175.583 175.900 0.178 0.000 0.975 204 Y CA -1.091 57.087 58.100 0.131 0.000 1.056 204 Y CB 0.952 39.464 38.460 0.087 0.000 1.210 204 Y HN 0.636 nan 8.280 nan 0.000 0.448 205 T N 1.090 115.728 114.554 0.141 0.000 2.794 205 T HA 0.927 5.277 4.350 -0.000 0.000 0.280 205 T C -0.354 174.428 174.700 0.137 0.000 0.987 205 T CA -0.293 61.813 62.100 0.011 0.000 0.993 205 T CB 1.279 69.966 68.868 -0.301 0.000 0.939 205 T HN 1.255 nan 8.240 nan 0.000 0.449 206 A N 2.046 124.997 122.820 0.219 0.000 2.454 206 A HA 0.859 5.179 4.320 -0.000 0.000 0.302 206 A C 1.132 178.852 177.584 0.226 0.000 1.079 206 A CA -0.524 51.637 52.037 0.207 0.000 0.731 206 A CB 1.280 20.374 19.000 0.158 0.000 1.299 206 A HN 1.049 nan 8.150 nan 0.000 0.413 207 G N 0.650 109.578 108.800 0.214 0.000 2.394 207 G HA2 0.170 4.130 3.960 -0.000 0.000 0.215 207 G HA3 0.170 4.130 3.960 -0.000 0.000 0.215 207 G C 0.950 175.993 174.900 0.238 0.000 1.165 207 G CA 1.216 46.464 45.100 0.246 0.000 0.784 207 G HN 0.957 nan 8.290 nan 0.000 0.535 208 I N -0.282 120.411 120.570 0.205 0.000 3.322 208 I HA 0.446 4.616 4.170 -0.000 0.000 0.296 208 I C -0.547 175.714 176.117 0.239 0.000 1.101 208 I CA -0.600 60.818 61.300 0.198 0.000 1.166 208 I CB 0.949 39.049 38.000 0.166 0.000 1.475 208 I HN -0.134 nan 8.210 nan 0.000 0.665 209 V N 3.896 123.952 119.914 0.237 0.000 2.334 209 V HA 0.411 4.531 4.120 -0.000 0.000 0.281 209 V C 0.113 176.388 176.094 0.302 0.000 1.016 209 V CA -0.356 62.125 62.300 0.302 0.000 0.832 209 V CB 0.796 32.770 31.823 0.251 0.000 0.999 209 V HN 0.554 nan 8.190 nan 0.000 0.439 210 L N 5.965 127.315 121.223 0.211 0.000 2.319 210 L HA 0.652 4.992 4.340 -0.000 0.000 0.267 210 L C -2.611 174.169 176.870 -0.149 0.000 1.011 210 L CA -2.281 52.484 54.840 -0.124 0.000 0.818 210 L CB 1.246 42.901 42.059 -0.674 0.000 1.316 210 L HN 0.273 nan 8.230 nan 0.000 0.432 211 P HA 0.161 nan 4.420 nan 0.000 0.258 211 P C 0.032 177.002 177.300 -0.549 0.000 1.214 211 P CA 0.561 63.126 63.100 -0.892 0.000 0.872 211 P CB 0.611 31.975 31.700 -0.559 0.000 0.890 212 A N 4.390 126.894 122.820 -0.527 0.000 2.409 212 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 212 A C -2.329 175.073 177.584 -0.303 0.000 2.875 212 A CA -0.269 51.605 52.037 -0.270 0.000 1.543 212 A CB -1.222 17.783 19.000 0.008 0.000 0.268 212 A HN 0.335 nan 8.150 nan 0.000 0.536 213 P HA 0.117 nan 4.420 nan 0.000 0.255 213 P C 0.999 178.101 177.300 -0.331 0.000 1.161 213 P CA 0.901 63.626 63.100 -0.625 0.000 0.768 213 P CB 0.687 32.178 31.700 -0.348 0.000 0.746 214 V N 2.087 121.811 119.914 -0.316 0.000 2.788 214 V HA -0.016 4.104 4.120 -0.000 0.000 0.251 214 V C 1.361 177.385 176.094 -0.117 0.000 1.068 214 V CA 1.666 63.872 62.300 -0.156 0.000 1.090 214 V CB -0.100 31.656 31.823 -0.112 0.000 0.710 214 V HN 0.713 nan 8.190 nan 0.000 0.467 215 S N -1.816 113.820 115.700 -0.107 0.000 2.611 215 S HA 0.568 5.038 4.470 -0.000 0.000 0.268 215 S C -1.090 173.531 174.600 0.036 0.000 1.156 215 S CA -0.340 57.824 58.200 -0.062 0.000 0.817 215 S CB 2.346 65.447 63.200 -0.164 0.000 1.122 215 S HN 0.167 nan 8.310 nan 0.000 0.466 216 T N 1.943 116.530 114.554 0.055 0.000 3.031 216 T HA 0.515 4.865 4.350 -0.000 0.000 0.305 216 T C -0.624 174.166 174.700 0.150 0.000 0.985 216 T CA -0.398 61.775 62.100 0.122 0.000 1.008 216 T CB 0.491 69.376 68.868 0.029 0.000 1.005 216 T HN 0.723 nan 8.240 nan 0.000 0.444 217 C N 2.112 121.561 119.300 0.248 0.000 2.484 217 C HA 0.826 5.286 4.460 -0.000 0.000 0.409 217 C C 0.452 175.540 174.990 0.163 0.000 1.434 217 C CA -0.859 58.263 59.018 0.174 0.000 1.913 217 C CB 1.019 28.890 27.740 0.217 0.000 2.028 217 C HN 0.914 nan 8.230 nan 0.000 0.516 218 R N -0.400 120.128 120.500 0.047 0.000 2.621 218 R HA 0.414 4.754 4.340 -0.000 0.000 0.284 218 R C -1.906 174.296 176.300 -0.164 0.000 0.998 218 R CA -0.399 55.675 56.100 -0.043 0.000 0.895 218 R CB 0.867 31.200 30.300 0.055 0.000 1.195 218 R HN 0.783 nan 8.270 nan 0.000 0.450 219 Y N 1.955 122.191 120.300 -0.107 0.000 2.442 219 Y HA 0.113 4.663 4.550 -0.000 0.000 0.330 219 Y C 0.727 176.436 175.900 -0.319 0.000 1.129 219 Y CA 0.690 58.705 58.100 -0.142 0.000 1.365 219 Y CB 1.317 39.719 38.460 -0.098 0.000 1.233 219 Y HN 0.512 nan 8.280 nan 0.000 0.529 220 T N 1.010 115.491 114.554 -0.122 0.000 2.886 220 T HA 0.458 4.808 4.350 -0.000 0.000 0.292 220 T C -1.139 173.501 174.700 -0.099 0.000 1.012 220 T CA -1.094 60.904 62.100 -0.170 0.000 0.982 220 T CB 0.991 69.904 68.868 0.076 0.000 1.018 220 T HN 0.554 nan 8.240 nan 0.000 0.451 221 H N 2.318 121.506 119.070 0.197 0.000 2.469 221 H HA 0.546 5.102 4.556 -0.000 0.000 0.342 221 H C -0.388 174.889 175.328 -0.085 0.000 1.115 221 H CA -0.940 55.144 56.048 0.059 0.000 1.204 221 H CB 1.712 31.438 29.762 -0.061 0.000 1.492 221 H HN 0.438 nan 8.280 nan 0.000 0.499 222 R N 3.408 123.753 120.500 -0.258 0.000 2.320 222 R HA 0.287 4.627 4.340 -0.000 0.000 0.319 222 R C -2.963 173.149 176.300 -0.312 0.000 0.969 222 R CA -1.985 53.781 56.100 -0.557 0.000 0.857 222 R CB 0.939 30.328 30.300 -1.519 0.000 1.160 222 R HN 0.398 nan 8.270 nan 0.000 0.491 223 P HA -0.025 nan 4.420 nan 0.000 0.262 223 P C 0.275 177.487 177.300 -0.147 0.000 1.182 223 P CA 0.334 63.377 63.100 -0.095 0.000 0.761 223 P CB 0.664 32.411 31.700 0.078 0.000 0.795 224 L N 1.578 122.710 121.223 -0.151 0.000 2.433 224 L HA 0.232 4.572 4.340 -0.000 0.000 0.200 224 L C 1.014 177.819 176.870 -0.108 0.000 1.059 224 L CA 0.543 55.285 54.840 -0.164 0.000 0.835 224 L CB -0.269 41.674 42.059 -0.193 0.000 1.076 224 L HN 0.295 nan 8.230 nan 0.000 0.481 225 N N -0.195 118.440 118.700 -0.109 0.000 2.936 225 N HA 0.005 4.744 4.740 -0.000 0.000 0.243 225 N C 0.287 175.760 175.510 -0.061 0.000 1.149 225 N CA -0.562 52.439 53.050 -0.081 0.000 0.914 225 N CB 0.417 38.825 38.487 -0.131 0.000 1.179 225 N HN 0.254 nan 8.380 nan 0.000 0.502 226 W N 4.131 125.352 121.300 -0.132 0.000 2.355 226 W HA -0.127 4.532 4.660 -0.000 0.000 0.309 226 W C 1.959 178.440 176.519 -0.065 0.000 1.206 226 W CA 1.617 58.895 57.345 -0.111 0.000 1.284 226 W CB 0.132 29.523 29.460 -0.115 0.000 1.145 226 W HN 0.428 nan 8.180 nan 0.000 0.502 227 K N 1.301 121.760 120.400 0.099 0.000 2.015 227 K HA -0.302 4.018 4.320 -0.000 0.000 0.216 227 K C 2.145 178.582 176.600 -0.270 0.000 1.052 227 K CA 2.617 58.891 56.287 -0.022 0.000 0.937 227 K CB -0.850 31.726 32.500 0.126 0.000 0.719 227 K HN 0.170 nan 8.250 nan 0.000 0.446 228 K N 0.149 120.374 120.400 -0.292 0.000 2.032 228 K HA -0.145 4.175 4.320 -0.000 0.000 0.209 228 K C 2.217 178.459 176.600 -0.596 0.000 1.048 228 K CA 1.738 57.693 56.287 -0.553 0.000 0.927 228 K CB -0.361 31.751 32.500 -0.647 0.000 0.712 228 K HN 0.272 nan 8.250 nan 0.000 0.441 229 L N 0.412 121.316 121.223 -0.532 0.000 2.263 229 L HA -0.217 4.123 4.340 -0.000 0.000 0.216 229 L C 2.238 178.818 176.870 -0.484 0.000 1.111 229 L CA 1.353 55.896 54.840 -0.495 0.000 0.773 229 L CB -0.207 41.598 42.059 -0.423 0.000 0.906 229 L HN 0.389 nan 8.230 nan 0.000 0.439 230 Y N -0.518 119.273 120.300 -0.850 0.000 2.301 230 Y HA -0.081 4.469 4.550 -0.000 0.000 0.295 230 Y C 2.389 178.039 175.900 -0.416 0.000 1.119 230 Y CA 0.566 58.210 58.100 -0.761 0.000 1.162 230 Y CB 0.295 37.938 38.460 -1.360 0.000 1.046 230 Y HN 0.048 nan 8.280 nan 0.000 0.538 231 E N 0.081 119.969 120.200 -0.520 0.000 2.409 231 E HA -0.086 4.264 4.350 -0.000 0.000 0.198 231 E C 1.638 178.057 176.600 -0.303 0.000 1.024 231 E CA 0.737 56.894 56.400 -0.405 0.000 0.861 231 E CB 0.242 29.852 29.700 -0.150 0.000 0.788 231 E HN 0.381 nan 8.360 nan 0.000 0.521 232 V N 0.960 120.671 119.914 -0.338 0.000 3.621 232 V HA -0.036 4.084 4.120 -0.000 0.000 0.285 232 V C -0.098 175.974 176.094 -0.038 0.000 1.346 232 V CA 0.201 62.357 62.300 -0.240 0.000 1.104 232 V CB -0.231 31.318 31.823 -0.458 0.000 0.913 232 V HN 0.140 nan 8.190 nan 0.000 0.432 233 D N -0.720 119.623 120.400 -0.096 0.000 2.945 233 D HA -0.229 4.411 4.640 -0.000 0.000 0.225 233 D C 0.478 176.829 176.300 0.086 0.000 1.158 233 D CA 0.815 54.807 54.000 -0.015 0.000 0.805 233 D CB -1.365 39.440 40.800 0.008 0.000 1.098 233 D HN 0.482 nan 8.370 nan 0.000 0.426 234 F N 0.322 120.119 119.950 -0.254 0.000 2.664 234 F HA 0.219 4.746 4.527 -0.000 0.000 0.303 234 F C 1.284 176.934 175.800 -0.249 0.000 1.092 234 F CA 0.333 58.153 58.000 -0.299 0.000 1.305 234 F CB 1.162 39.919 39.000 -0.405 0.000 1.054 234 F HN -0.093 nan 8.300 nan 0.000 0.565 235 T N -1.254 113.282 114.554 -0.031 0.000 3.225 235 T HA 0.535 4.885 4.350 -0.000 0.000 0.356 235 T C 0.100 174.887 174.700 0.146 0.000 1.460 235 T CA -0.341 61.771 62.100 0.021 0.000 1.126 235 T CB 0.515 69.405 68.868 0.037 0.000 1.321 235 T HN 0.161 nan 8.240 nan 0.000 0.478 236 G N 1.939 110.850 108.800 0.185 0.000 2.504 236 G HA2 0.645 4.605 3.960 -0.000 0.000 0.257 236 G HA3 0.645 4.605 3.960 -0.000 0.000 0.257 236 G C -0.683 174.385 174.900 0.281 0.000 1.451 236 G CA -0.612 44.654 45.100 0.278 0.000 1.059 236 G HN 0.943 nan 8.290 nan 0.000 0.550 237 L N 0.513 121.853 121.223 0.195 0.000 2.372 237 L HA 0.532 4.872 4.340 -0.000 0.000 0.274 237 L C -2.373 174.550 176.870 0.088 0.000 0.988 237 L CA -1.733 53.159 54.840 0.087 0.000 0.833 237 L CB 2.257 44.295 42.059 -0.036 0.000 1.236 237 L HN 0.226 nan 8.230 nan 0.000 0.410 238 P HA 0.229 nan 4.420 nan 0.000 0.276 238 P C -1.263 176.072 177.300 0.058 0.000 1.243 238 P CA -0.250 62.898 63.100 0.080 0.000 0.768 238 P CB 0.476 32.240 31.700 0.107 0.000 0.856 239 D N 1.999 122.417 120.400 0.031 0.000 2.548 239 D HA 0.187 4.827 4.640 -0.000 0.000 0.231 239 D C 1.629 177.903 176.300 -0.044 0.000 1.142 239 D CA 1.637 55.640 54.000 0.005 0.000 0.866 239 D CB 0.235 41.037 40.800 0.004 0.000 1.190 239 D HN 0.677 nan 8.370 nan 0.000 0.469 240 G N 1.664 110.434 108.800 -0.051 0.000 2.729 240 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.216 240 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.216 240 G C 0.311 175.145 174.900 -0.110 0.000 1.252 240 G CA -0.159 44.874 45.100 -0.112 0.000 0.751 240 G HN 0.648 nan 8.290 nan 0.000 0.527 241 H N 1.772 120.805 119.070 -0.062 0.000 2.707 241 H HA 0.576 5.132 4.556 -0.000 0.000 0.359 241 H C 0.636 175.903 175.328 -0.102 0.000 1.113 241 H CA 1.162 57.151 56.048 -0.098 0.000 1.422 241 H CB 1.211 30.891 29.762 -0.136 0.000 1.443 241 H HN 0.371 nan 8.280 nan 0.000 0.591 242 T N 0.540 115.119 114.554 0.042 0.000 2.912 242 T HA 0.069 4.419 4.350 -0.000 0.000 0.280 242 T C 1.485 176.105 174.700 -0.134 0.000 0.989 242 T CA -0.569 61.512 62.100 -0.032 0.000 0.995 242 T CB 1.026 69.883 68.868 -0.020 0.000 1.077 242 T HN 0.739 nan 8.240 nan 0.000 0.531 243 E N 0.361 120.507 120.200 -0.089 0.000 2.110 243 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 243 E C 1.793 178.298 176.600 -0.159 0.000 0.988 243 E CA 1.249 57.593 56.400 -0.093 0.000 0.804 243 E CB 0.043 29.798 29.700 0.092 0.000 0.745 243 E HN 0.761 nan 8.360 nan 0.000 0.458 244 E N 0.288 120.426 120.200 -0.103 0.000 2.077 244 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 244 E C 1.473 177.949 176.600 -0.207 0.000 0.989 244 E CA 1.396 57.730 56.400 -0.110 0.000 0.800 244 E CB 0.050 29.714 29.700 -0.060 0.000 0.746 244 E HN 0.227 nan 8.360 nan 0.000 0.452 245 D N 0.234 120.492 120.400 -0.236 0.000 2.133 245 D HA -0.219 4.421 4.640 -0.000 0.000 0.192 245 D C 1.893 177.899 176.300 -0.491 0.000 1.001 245 D CA 1.332 55.147 54.000 -0.308 0.000 0.844 245 D CB -0.168 40.466 40.800 -0.277 0.000 0.944 245 D HN 0.283 nan 8.370 nan 0.000 0.447 246 M N 0.056 119.217 119.600 -0.732 0.000 2.175 246 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 246 M C 2.175 177.976 176.300 -0.832 0.000 1.063 246 M CA 0.655 55.295 55.300 -1.100 0.000 1.119 246 M CB -0.707 30.594 32.600 -2.165 0.000 1.377 246 M HN 0.066 nan 8.290 nan 0.000 0.415 247 I N 0.552 120.801 120.570 -0.535 0.000 2.208 247 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 247 I C 2.528 178.529 176.117 -0.193 0.000 1.097 247 I CA 1.621 62.798 61.300 -0.205 0.000 1.363 247 I CB -1.726 36.234 38.000 -0.066 0.000 1.051 247 I HN 0.186 nan 8.210 nan 0.000 0.413 248 A N 0.272 122.959 122.820 -0.221 0.000 2.014 248 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 248 A C 2.302 179.780 177.584 -0.177 0.000 1.163 248 A CA 1.483 53.420 52.037 -0.167 0.000 0.652 248 A CB -0.415 18.496 19.000 -0.149 0.000 0.808 248 A HN 0.447 nan 8.150 nan 0.000 0.449 249 E N 0.608 120.658 120.200 -0.250 0.000 2.051 249 E HA -0.065 4.285 4.350 -0.000 0.000 0.189 249 E C 1.269 177.761 176.600 -0.179 0.000 0.979 249 E CA 1.209 57.474 56.400 -0.225 0.000 0.803 249 E CB -0.082 29.434 29.700 -0.307 0.000 0.761 249 E HN 0.554 nan 8.360 nan 0.000 0.451 250 N N 0.772 119.350 118.700 -0.203 0.000 2.383 250 N HA 0.102 4.842 4.740 -0.000 0.000 0.192 250 N C -0.342 175.101 175.510 -0.110 0.000 1.141 250 N CA 0.524 53.486 53.050 -0.146 0.000 0.851 250 N CB 0.341 38.755 38.487 -0.122 0.000 0.976 250 N HN 0.138 nan 8.380 nan 0.000 0.465 251 A N 1.016 123.774 122.820 -0.103 0.000 2.555 251 A HA 0.210 4.530 4.320 -0.000 0.000 0.233 251 A C -0.121 177.417 177.584 -0.077 0.000 1.060 251 A CA 0.448 52.438 52.037 -0.079 0.000 0.759 251 A CB 0.134 19.093 19.000 -0.069 0.000 0.995 251 A HN 0.229 nan 8.150 nan 0.000 0.506 252 L N 2.963 124.134 121.223 -0.087 0.000 2.493 252 L HA 0.559 4.899 4.340 -0.000 0.000 0.265 252 L C -2.244 174.561 176.870 -0.108 0.000 0.954 252 L CA -1.102 53.659 54.840 -0.131 0.000 0.844 252 L CB 1.951 43.889 42.059 -0.202 0.000 1.302 252 L HN 0.574 nan 8.230 nan 0.000 0.405 253 P HA 0.377 nan 4.420 nan 0.000 0.273 253 P C -0.274 176.972 177.300 -0.089 0.000 1.250 253 P CA -0.344 62.714 63.100 -0.070 0.000 0.793 253 P CB 0.770 32.448 31.700 -0.036 0.000 1.011 254 A N 0.138 122.924 122.820 -0.056 0.000 2.220 254 A HA 0.097 4.417 4.320 -0.000 0.000 0.211 254 A C 0.649 178.209 177.584 -0.040 0.000 1.176 254 A CA 0.830 52.837 52.037 -0.049 0.000 0.834 254 A CB -0.246 18.738 19.000 -0.028 0.000 0.868 254 A HN 0.449 nan 8.150 nan 0.000 0.488 255 K N 0.656 121.035 120.400 -0.036 0.000 2.318 255 K HA 0.448 4.768 4.320 -0.000 0.000 0.249 255 K C -0.774 175.810 176.600 -0.027 0.000 0.942 255 K CA -0.520 55.755 56.287 -0.021 0.000 0.808 255 K CB 1.759 34.258 32.500 -0.002 0.000 1.189 255 K HN 0.217 nan 8.250 nan 0.000 0.428 256 T N 1.270 115.814 114.554 -0.017 0.000 2.900 256 T HA 0.075 4.425 4.350 -0.000 0.000 0.307 256 T C 0.949 175.663 174.700 0.022 0.000 1.065 256 T CA -0.450 61.644 62.100 -0.011 0.000 1.105 256 T CB 1.109 69.981 68.868 0.006 0.000 0.979 256 T HN 0.408 nan 8.240 nan 0.000 0.544 257 K N 1.285 121.711 120.400 0.044 0.000 2.019 257 K HA 0.082 4.402 4.320 -0.000 0.000 0.209 257 K C 1.281 177.903 176.600 0.038 0.000 1.032 257 K CA 0.727 57.044 56.287 0.048 0.000 0.947 257 K CB -0.627 31.913 32.500 0.066 0.000 0.757 257 K HN 0.909 nan 8.250 nan 0.000 0.444 258 T N 0.386 114.964 114.554 0.041 0.000 2.822 258 T HA 0.293 4.643 4.350 -0.000 0.000 0.288 258 T C 0.262 174.995 174.700 0.055 0.000 0.991 258 T CA -0.412 61.715 62.100 0.044 0.000 1.176 258 T CB 0.534 69.434 68.868 0.053 0.000 0.951 258 T HN 0.252 nan 8.240 nan 0.000 0.526 259 A N 3.022 125.870 122.820 0.046 0.000 2.313 259 A HA 0.685 5.005 4.320 -0.000 0.000 0.261 259 A C 1.672 179.290 177.584 0.057 0.000 1.090 259 A CA -0.076 51.989 52.037 0.048 0.000 0.807 259 A CB -0.589 18.433 19.000 0.036 0.000 1.055 259 A HN 2.325 nan 8.150 nan 0.000 0.492 260 G N -0.792 108.042 108.800 0.058 0.000 2.253 260 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.251 260 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.251 260 G C 0.355 175.303 174.900 0.080 0.000 0.998 260 G CA 0.304 45.441 45.100 0.062 0.000 0.621 260 G HN 0.881 nan 8.290 nan 0.000 0.524 261 L N 0.707 121.988 121.223 0.096 0.000 2.485 261 L HA 0.608 4.948 4.340 -0.000 0.000 0.275 261 L C 0.825 177.774 176.870 0.131 0.000 1.207 261 L CA 0.292 55.208 54.840 0.126 0.000 0.855 261 L CB 0.871 43.019 42.059 0.148 0.000 1.114 261 L HN 0.566 nan 8.230 nan 0.000 0.485 262 R N 2.307 122.906 120.500 0.164 0.000 2.741 262 R HA 0.281 4.621 4.340 -0.000 0.000 0.276 262 R C -1.421 174.972 176.300 0.156 0.000 1.028 262 R CA -0.870 55.324 56.100 0.157 0.000 0.865 262 R CB 1.340 31.691 30.300 0.085 0.000 1.268 262 R HN 0.557 nan 8.270 nan 0.000 0.475 263 K N 1.448 121.869 120.400 0.035 0.000 2.258 263 K HA 0.198 4.518 4.320 -0.000 0.000 0.264 263 K C -0.220 176.302 176.600 -0.129 0.000 1.007 263 K CA -0.561 55.604 56.287 -0.203 0.000 0.941 263 K CB 0.422 32.798 32.500 -0.205 0.000 0.966 263 K HN 0.233 nan 8.250 nan 0.000 0.480 264 L N 2.131 123.250 121.223 -0.173 0.000 2.416 264 L HA 0.115 4.455 4.340 -0.000 0.000 0.272 264 L C -0.119 176.721 176.870 -0.050 0.000 1.161 264 L CA 0.900 55.700 54.840 -0.066 0.000 0.845 264 L CB 0.320 42.362 42.059 -0.028 0.000 1.119 264 L HN 0.540 nan 8.230 nan 0.000 0.464 265 K N 2.527 122.919 120.400 -0.013 0.000 2.349 265 K HA 0.393 4.713 4.320 -0.000 0.000 0.243 265 K C 0.523 177.136 176.600 0.021 0.000 1.058 265 K CA -1.008 55.278 56.287 -0.003 0.000 0.871 265 K CB 1.490 33.989 32.500 -0.002 0.000 1.337 265 K HN 0.285 nan 8.250 nan 0.000 0.469 266 K N 1.171 121.585 120.400 0.023 0.000 2.152 266 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 266 K C 1.446 178.066 176.600 0.033 0.000 1.048 266 K CA 1.804 58.112 56.287 0.035 0.000 0.933 266 K CB 0.051 32.569 32.500 0.029 0.000 0.721 266 K HN 0.469 nan 8.250 nan 0.000 0.447 267 E N 0.978 121.192 120.200 0.024 0.000 2.051 267 E HA -0.104 4.246 4.350 -0.000 0.000 0.189 267 E C 1.613 178.226 176.600 0.021 0.000 0.979 267 E CA 1.273 57.685 56.400 0.021 0.000 0.803 267 E CB -0.307 29.404 29.700 0.018 0.000 0.761 267 E HN 0.354 nan 8.360 nan 0.000 0.451 268 D N 1.064 121.477 120.400 0.021 0.000 2.190 268 D HA -0.185 4.455 4.640 -0.000 0.000 0.200 268 D C 1.513 177.820 176.300 0.013 0.000 0.992 268 D CA 0.746 54.756 54.000 0.017 0.000 0.854 268 D CB -0.113 40.696 40.800 0.015 0.000 0.936 268 D HN 0.048 nan 8.370 nan 0.000 0.462 269 I N 1.526 122.118 120.570 0.036 0.000 2.130 269 I HA -0.346 3.824 4.170 -0.000 0.000 0.241 269 I C 1.883 177.989 176.117 -0.018 0.000 1.023 269 I CA 1.719 63.051 61.300 0.054 0.000 1.293 269 I CB -0.963 37.088 38.000 0.085 0.000 1.001 269 I HN 0.099 nan 8.210 nan 0.000 0.407 270 D N 0.063 120.457 120.400 -0.010 0.000 2.108 270 D HA -0.248 4.392 4.640 -0.000 0.000 0.190 270 D C 2.201 178.511 176.300 0.017 0.000 0.995 270 D CA 1.672 55.668 54.000 -0.007 0.000 0.834 270 D CB -0.338 40.464 40.800 0.003 0.000 0.967 270 D HN 0.448 nan 8.370 nan 0.000 0.446 271 Q N 0.129 119.937 119.800 0.014 0.000 2.084 271 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 271 Q C 2.232 178.233 176.000 0.001 0.000 0.978 271 Q CA 0.962 56.778 55.803 0.022 0.000 0.844 271 Q CB 0.097 28.851 28.738 0.027 0.000 0.898 271 Q HN 0.081 nan 8.270 nan 0.000 0.426 272 V N 0.659 120.546 119.914 -0.044 0.000 2.287 272 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 272 V C 1.984 177.948 176.094 -0.217 0.000 1.053 272 V CA 1.975 64.198 62.300 -0.127 0.000 1.027 272 V CB -0.744 30.958 31.823 -0.201 0.000 0.646 272 V HN 0.451 nan 8.190 nan 0.000 0.447 273 F N 1.081 120.718 119.950 -0.522 0.000 2.126 273 F HA -0.181 4.346 4.527 -0.000 0.000 0.299 273 F C 2.468 178.117 175.800 -0.251 0.000 1.096 273 F CA 1.986 59.528 58.000 -0.763 0.000 1.255 273 F CB -0.127 38.400 39.000 -0.789 0.000 0.997 273 F HN 0.120 nan 8.300 nan 0.000 0.479 274 E N 0.107 120.236 120.200 -0.119 0.000 2.158 274 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 274 E C 2.187 178.767 176.600 -0.033 0.000 0.982 274 E CA 0.756 57.092 56.400 -0.108 0.000 0.823 274 E CB -0.637 29.079 29.700 0.027 0.000 0.766 274 E HN 0.434 nan 8.360 nan 0.000 0.468 275 L N 0.407 121.658 121.223 0.046 0.000 2.056 275 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 275 L C 2.159 179.173 176.870 0.240 0.000 1.078 275 L CA 1.474 56.426 54.840 0.186 0.000 0.749 275 L CB -0.792 41.355 42.059 0.148 0.000 0.901 275 L HN 0.033 nan 8.230 nan 0.000 0.433 276 F N 0.274 120.211 119.950 -0.022 0.000 2.134 276 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 276 F C 2.252 178.049 175.800 -0.005 0.000 1.097 276 F CA 1.581 59.603 58.000 0.037 0.000 1.264 276 F CB -0.307 38.631 39.000 -0.103 0.000 1.001 276 F HN -0.004 nan 8.300 nan 0.000 0.479 277 K N 0.513 120.720 120.400 -0.321 0.000 2.032 277 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 277 K C 2.386 178.822 176.600 -0.274 0.000 1.048 277 K CA 1.480 57.523 56.287 -0.407 0.000 0.927 277 K CB -0.702 31.544 32.500 -0.422 0.000 0.712 277 K HN 0.292 nan 8.250 nan 0.000 0.441 278 R N -0.461 119.952 120.500 -0.145 0.000 2.075 278 R HA -0.134 4.206 4.340 -0.000 0.000 0.232 278 R C 2.352 178.559 176.300 -0.156 0.000 1.126 278 R CA 1.180 57.164 56.100 -0.193 0.000 0.963 278 R CB -0.315 29.805 30.300 -0.299 0.000 0.858 278 R HN 0.227 nan 8.270 nan 0.000 0.435 279 Y N 1.226 121.551 120.300 0.041 0.000 2.089 279 Y HA -0.278 4.272 4.550 -0.000 0.000 0.282 279 Y C 2.463 178.293 175.900 -0.117 0.000 1.139 279 Y CA 1.964 60.148 58.100 0.140 0.000 1.123 279 Y CB -0.211 38.445 38.460 0.328 0.000 0.980 279 Y HN 0.098 nan 8.280 nan 0.000 0.493 280 Q N 0.045 119.687 119.800 -0.264 0.000 2.291 280 Q HA -0.170 4.170 4.340 -0.000 0.000 0.206 280 Q C 2.163 178.006 176.000 -0.261 0.000 0.976 280 Q CA 1.486 57.152 55.803 -0.229 0.000 0.875 280 Q CB -0.236 28.161 28.738 -0.569 0.000 0.927 280 Q HN 0.652 nan 8.270 nan 0.000 0.450 281 S N 0.241 115.743 115.700 -0.331 0.000 2.537 281 S HA -0.147 4.323 4.470 -0.000 0.000 0.240 281 S C 1.627 176.029 174.600 -0.331 0.000 0.981 281 S CA 0.755 58.797 58.200 -0.262 0.000 0.948 281 S CB -0.374 62.688 63.200 -0.228 0.000 0.759 281 S HN 0.484 nan 8.310 nan 0.000 0.531 282 R N 0.006 120.154 120.500 -0.586 0.000 2.236 282 R HA 0.168 4.508 4.340 -0.000 0.000 0.208 282 R C -0.238 175.727 176.300 -0.558 0.000 1.036 282 R CA 0.184 55.904 56.100 -0.634 0.000 1.001 282 R CB -0.519 29.281 30.300 -0.834 0.000 0.896 282 R HN 0.455 nan 8.270 nan 0.000 0.464 283 F N 1.936 121.787 119.950 -0.166 0.000 2.384 283 F HA 0.225 4.752 4.527 -0.000 0.000 0.338 283 F C 1.266 177.009 175.800 -0.096 0.000 1.103 283 F CA -0.809 57.120 58.000 -0.119 0.000 1.157 283 F CB 1.395 40.329 39.000 -0.111 0.000 1.167 283 F HN -0.116 nan 8.300 nan 0.000 0.529 284 E N 0.994 121.255 120.200 0.102 0.000 2.285 284 E HA -0.032 4.317 4.350 -0.000 0.000 0.194 284 E C -0.317 176.284 176.600 0.002 0.000 0.997 284 E CA 0.479 56.890 56.400 0.019 0.000 0.845 284 E CB 0.297 29.995 29.700 -0.004 0.000 0.782 284 E HN 0.230 nan 8.360 nan 0.000 0.491 285 L N 1.297 122.528 121.223 0.013 0.000 2.415 285 L HA 0.380 4.720 4.340 -0.000 0.000 0.268 285 L C -0.981 175.915 176.870 0.043 0.000 0.984 285 L CA -0.832 54.000 54.840 -0.013 0.000 0.853 285 L CB 0.946 42.958 42.059 -0.078 0.000 1.215 285 L HN -0.057 nan 8.230 nan 0.000 0.419 286 I N 0.670 121.286 120.570 0.077 0.000 3.145 286 I HA 0.610 4.780 4.170 -0.000 0.000 0.313 286 I C -0.842 175.368 176.117 0.155 0.000 1.122 286 I CA -0.712 60.679 61.300 0.152 0.000 0.987 286 I CB 1.898 39.995 38.000 0.162 0.000 1.236 286 I HN 0.629 nan 8.210 nan 0.000 0.453 287 Q N 2.611 122.554 119.800 0.238 0.000 2.314 287 Q HA 0.552 4.892 4.340 -0.000 0.000 0.259 287 Q C -1.201 174.922 176.000 0.205 0.000 0.951 287 Q CA -0.719 55.162 55.803 0.131 0.000 0.909 287 Q CB 1.279 30.012 28.738 -0.008 0.000 1.236 287 Q HN 0.730 nan 8.270 nan 0.000 0.444 288 I N 4.613 125.259 120.570 0.127 0.000 2.517 288 I HA 0.063 4.233 4.170 -0.000 0.000 0.285 288 I C -0.339 175.900 176.117 0.204 0.000 1.106 288 I CA 0.290 61.716 61.300 0.211 0.000 1.402 288 I CB 0.157 38.245 38.000 0.146 0.000 1.399 288 I HN 0.510 nan 8.210 nan 0.000 0.535 289 F N 3.831 124.000 119.950 0.364 0.000 2.397 289 F HA 0.372 4.899 4.527 -0.000 0.000 0.331 289 F C 0.903 177.020 175.800 0.529 0.000 1.090 289 F CA -0.522 57.775 58.000 0.495 0.000 1.065 289 F CB 1.717 41.165 39.000 0.746 0.000 1.184 289 F HN 0.385 nan 8.300 nan 0.000 0.499 290 T N -0.954 113.893 114.554 0.488 0.000 2.867 290 T HA 0.275 4.625 4.350 -0.000 0.000 0.282 290 T C 0.534 175.269 174.700 0.059 0.000 1.000 290 T CA -1.044 61.189 62.100 0.221 0.000 1.042 290 T CB 1.490 70.437 68.868 0.131 0.000 0.973 290 T HN 0.565 nan 8.240 nan 0.000 0.465 291 K N 1.415 121.547 120.400 -0.447 0.000 2.589 291 K HA -0.094 4.226 4.320 -0.000 0.000 0.195 291 K C 1.418 177.987 176.600 -0.052 0.000 1.042 291 K CA 1.230 57.201 56.287 -0.527 0.000 0.940 291 K CB -0.165 31.942 32.500 -0.654 0.000 0.776 291 K HN 0.793 nan 8.250 nan 0.000 0.487 292 E N 1.378 121.612 120.200 0.057 0.000 2.152 292 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 292 E C 1.352 178.094 176.600 0.238 0.000 0.934 292 E CA 0.427 56.904 56.400 0.129 0.000 0.869 292 E CB 0.168 29.914 29.700 0.078 0.000 0.842 292 E HN 0.631 nan 8.360 nan 0.000 0.472 293 E N -0.322 120.035 120.200 0.262 0.000 2.526 293 E HA -0.109 4.241 4.350 -0.000 0.000 0.198 293 E C 1.375 178.315 176.600 0.567 0.000 1.091 293 E CA 0.155 56.752 56.400 0.328 0.000 0.880 293 E CB -0.139 29.680 29.700 0.200 0.000 0.873 293 E HN 0.218 nan 8.360 nan 0.000 0.527 294 F N 1.541 121.756 119.950 0.442 0.000 2.289 294 F HA 0.112 4.639 4.527 -0.000 0.000 0.280 294 F C 2.277 178.328 175.800 0.420 0.000 1.045 294 F CA 1.018 59.325 58.000 0.511 0.000 1.236 294 F CB -0.000 39.254 39.000 0.425 0.000 1.116 294 F HN -0.018 nan 8.300 nan 0.000 0.550 295 E N -0.517 119.995 120.200 0.520 0.000 2.086 295 E HA -0.412 3.938 4.350 -0.000 0.000 0.200 295 E C 2.174 178.919 176.600 0.242 0.000 1.012 295 E CA 1.989 58.595 56.400 0.343 0.000 0.812 295 E CB -0.472 29.388 29.700 0.266 0.000 0.743 295 E HN 0.680 nan 8.360 nan 0.000 0.453 296 H N 0.326 119.500 119.070 0.173 0.000 2.319 296 H HA -0.101 4.455 4.556 -0.000 0.000 0.299 296 H C 1.751 177.172 175.328 0.155 0.000 1.092 296 H CA 2.106 58.237 56.048 0.138 0.000 1.302 296 H CB -0.348 29.468 29.762 0.090 0.000 1.373 296 H HN 0.112 nan 8.280 nan 0.000 0.497 297 N N -1.003 117.571 118.700 -0.210 0.000 2.575 297 N HA -0.018 4.722 4.740 -0.000 0.000 0.192 297 N C -0.186 174.987 175.510 -0.561 0.000 1.200 297 N CA 0.573 53.391 53.050 -0.386 0.000 0.897 297 N CB -0.126 38.204 38.487 -0.261 0.000 0.990 297 N HN 0.470 nan 8.380 nan 0.000 0.449 298 F N -1.414 118.564 119.950 0.046 0.000 2.897 298 F HA 0.357 4.884 4.527 -0.000 0.000 0.364 298 F C 0.108 175.883 175.800 -0.041 0.000 0.940 298 F CA -0.449 57.549 58.000 -0.004 0.000 1.106 298 F CB 0.843 39.723 39.000 -0.200 0.000 1.034 298 F HN -0.105 nan 8.300 nan 0.000 0.583 299 I N 1.980 122.624 120.570 0.123 0.000 2.377 299 I HA 0.322 4.492 4.170 -0.000 0.000 0.282 299 I C 0.685 176.808 176.117 0.010 0.000 1.091 299 I CA -0.119 61.207 61.300 0.043 0.000 1.207 299 I CB -0.021 38.019 38.000 0.067 0.000 1.429 299 I HN 0.043 nan 8.210 nan 0.000 0.491 300 G N 3.981 112.727 108.800 -0.091 0.000 2.491 300 G HA2 0.106 4.066 3.960 -0.000 0.000 0.242 300 G HA3 0.106 4.066 3.960 -0.000 0.000 0.242 300 G C 0.214 175.079 174.900 -0.058 0.000 1.266 300 G CA -0.175 44.856 45.100 -0.116 0.000 0.844 300 G HN 0.651 nan 8.290 nan 0.000 0.571 301 E N 0.624 120.826 120.200 0.004 0.000 2.653 301 E HA -0.040 4.310 4.350 -0.000 0.000 0.264 301 E C 0.718 177.301 176.600 -0.028 0.000 0.949 301 E CA 0.423 56.833 56.400 0.017 0.000 0.953 301 E CB 0.382 30.110 29.700 0.045 0.000 0.925 301 E HN 0.517 nan 8.360 nan 0.000 0.475 302 E N 1.931 122.122 120.200 -0.016 0.000 2.397 302 E HA 0.107 4.457 4.350 -0.000 0.000 0.254 302 E C -0.335 176.246 176.600 -0.032 0.000 1.231 302 E CA 0.632 57.012 56.400 -0.033 0.000 0.954 302 E CB 0.436 30.126 29.700 -0.017 0.000 1.024 302 E HN 0.742 nan 8.360 nan 0.000 0.481 303 S N -0.059 115.619 115.700 -0.036 0.000 3.550 303 S HA -0.214 4.256 4.470 -0.000 0.000 0.372 303 S C -0.394 174.186 174.600 -0.033 0.000 0.966 303 S CA 0.366 58.549 58.200 -0.029 0.000 1.229 303 S CB -2.078 61.114 63.200 -0.013 0.000 0.917 303 S HN 0.375 nan 8.310 nan 0.000 0.496 304 L N 1.715 122.905 121.223 -0.055 0.000 2.282 304 L HA 0.572 4.912 4.340 -0.000 0.000 0.288 304 L C -1.492 175.347 176.870 -0.052 0.000 1.033 304 L CA -2.285 52.521 54.840 -0.057 0.000 0.807 304 L CB 1.046 43.050 42.059 -0.091 0.000 1.209 304 L HN 0.210 nan 8.230 nan 0.000 0.423 305 P HA -0.031 nan 4.420 nan 0.000 0.269 305 P C 0.628 177.926 177.300 -0.004 0.000 1.209 305 P CA -0.562 62.531 63.100 -0.011 0.000 0.776 305 P CB 1.167 32.866 31.700 -0.002 0.000 0.876 306 L N 2.494 123.729 121.223 0.019 0.000 2.189 306 L HA -0.179 4.161 4.340 -0.000 0.000 0.214 306 L C 1.665 178.600 176.870 0.108 0.000 1.097 306 L CA 2.043 56.923 54.840 0.067 0.000 0.764 306 L CB -1.248 40.868 42.059 0.095 0.000 0.900 306 L HN 0.492 nan 8.230 nan 0.000 0.436 307 D N -2.334 118.105 120.400 0.064 0.000 2.355 307 D HA -0.120 4.520 4.640 -0.000 0.000 0.218 307 D C 1.308 177.637 176.300 0.048 0.000 1.004 307 D CA 0.459 54.495 54.000 0.059 0.000 0.880 307 D CB 0.091 40.909 40.800 0.030 0.000 0.911 307 D HN 0.248 nan 8.370 nan 0.000 0.528 308 K N -0.051 120.368 120.400 0.032 0.000 2.412 308 K HA 0.075 4.395 4.320 -0.000 0.000 0.202 308 K C 0.683 177.281 176.600 -0.003 0.000 1.102 308 K CA -0.241 56.053 56.287 0.011 0.000 1.027 308 K CB 0.749 33.243 32.500 -0.009 0.000 0.931 308 K HN 0.260 nan 8.250 nan 0.000 0.557 309 Q N 1.912 121.695 119.800 -0.028 0.000 2.255 309 Q HA 0.018 4.358 4.340 -0.000 0.000 0.280 309 Q C 0.695 176.634 176.000 -0.103 0.000 1.068 309 Q CA -0.153 55.541 55.803 -0.181 0.000 0.911 309 Q CB 0.798 29.274 28.738 -0.438 0.000 1.157 309 Q HN -0.151 nan 8.270 nan 0.000 0.380 310 V N 5.309 125.100 119.914 -0.205 0.000 2.300 310 V HA -0.057 4.063 4.120 -0.000 0.000 0.233 310 V C 1.095 177.011 176.094 -0.296 0.000 1.052 310 V CA 0.748 62.933 62.300 -0.193 0.000 1.026 310 V CB -0.283 31.322 31.823 -0.363 0.000 0.661 310 V HN 0.801 nan 8.190 nan 0.000 0.470 311 I N 0.299 120.442 120.570 -0.710 0.000 2.441 311 I HA 0.285 4.455 4.170 -0.000 0.000 0.287 311 I C -1.123 174.753 176.117 -0.402 0.000 1.049 311 I CA 0.046 61.011 61.300 -0.559 0.000 1.381 311 I CB 0.630 38.169 38.000 -0.768 0.000 1.409 311 I HN 0.071 nan 8.210 nan 0.000 0.523 312 F N 5.927 125.636 119.950 -0.401 0.000 2.402 312 F HA 0.467 4.994 4.527 -0.000 0.000 0.355 312 F C 0.182 175.730 175.800 -0.419 0.000 1.123 312 F CA -0.333 57.361 58.000 -0.511 0.000 1.021 312 F CB 1.537 39.986 39.000 -0.919 0.000 1.160 312 F HN 0.295 nan 8.300 nan 0.000 0.451 313 S N 3.276 118.793 115.700 -0.304 0.000 2.502 313 S HA 0.703 5.173 4.470 -0.000 0.000 0.304 313 S C -1.469 172.826 174.600 -0.507 0.000 1.097 313 S CA -0.691 57.414 58.200 -0.158 0.000 1.045 313 S CB 1.014 64.254 63.200 0.067 0.000 1.019 313 S HN 0.424 nan 8.310 nan 0.000 0.481 314 Y N 0.633 120.776 120.300 -0.260 0.000 2.492 314 Y HA 0.716 5.266 4.550 -0.000 0.000 0.346 314 Y C -0.218 175.447 175.900 -0.393 0.000 0.997 314 Y CA -0.798 57.028 58.100 -0.457 0.000 1.025 314 Y CB 1.810 39.723 38.460 -0.912 0.000 1.263 314 Y HN 0.456 nan 8.280 nan 0.000 0.454 315 V N 2.979 122.876 119.914 -0.028 0.000 3.007 315 V HA 0.683 4.803 4.120 -0.000 0.000 0.311 315 V C -1.630 174.513 176.094 0.081 0.000 1.120 315 V CA -0.832 61.509 62.300 0.068 0.000 0.980 315 V CB 2.515 34.401 31.823 0.105 0.000 1.033 315 V HN 0.491 nan 8.190 nan 0.000 0.429 316 V N 4.470 124.451 119.914 0.111 0.000 2.357 316 V HA 0.468 4.588 4.120 -0.000 0.000 0.284 316 V C -0.017 176.125 176.094 0.080 0.000 1.018 316 V CA -0.502 61.860 62.300 0.104 0.000 0.841 316 V CB 1.361 33.257 31.823 0.121 0.000 0.991 316 V HN 0.922 nan 8.190 nan 0.000 0.437 317 E N 4.014 124.253 120.200 0.066 0.000 2.283 317 E HA 0.317 4.667 4.350 -0.000 0.000 0.278 317 E C -0.469 176.160 176.600 0.048 0.000 1.027 317 E CA -0.611 55.820 56.400 0.053 0.000 0.843 317 E CB 0.888 30.615 29.700 0.046 0.000 1.062 317 E HN 0.598 nan 8.360 nan 0.000 0.401 318 Q N 3.642 123.467 119.800 0.042 0.000 2.212 318 Q HA 0.172 4.512 4.340 -0.000 0.000 0.238 318 Q C -1.608 174.411 176.000 0.032 0.000 0.955 318 Q CA -1.808 54.017 55.803 0.037 0.000 0.906 318 Q CB 0.664 29.422 28.738 0.034 0.000 1.215 318 Q HN 0.491 nan 8.270 nan 0.000 0.478 319 P HA -0.301 nan 4.420 nan 0.000 0.221 319 P C 0.681 177.996 177.300 0.025 0.000 1.160 319 P CA 2.036 65.152 63.100 0.026 0.000 0.933 319 P CB 0.023 31.737 31.700 0.023 0.000 0.793 320 D N -1.341 119.073 120.400 0.025 0.000 2.096 320 D HA -0.024 4.616 4.640 -0.000 0.000 0.214 320 D C 1.711 178.026 176.300 0.025 0.000 0.974 320 D CA 1.839 55.854 54.000 0.024 0.000 0.890 320 D CB -0.963 39.851 40.800 0.023 0.000 1.016 320 D HN 0.329 nan 8.370 nan 0.000 0.447 321 G N -0.327 108.489 108.800 0.027 0.000 4.802 321 G HA2 0.041 4.001 3.960 -0.000 0.000 0.238 321 G HA3 0.041 4.001 3.960 -0.000 0.000 0.238 321 G C 0.157 175.075 174.900 0.031 0.000 0.974 321 G CA -0.451 44.666 45.100 0.028 0.000 0.798 321 G HN 0.198 nan 8.290 nan 0.000 0.301 322 K N 0.350 120.770 120.400 0.033 0.000 2.118 322 K HA 0.685 5.005 4.320 -0.000 0.000 0.240 322 K C -0.756 175.868 176.600 0.040 0.000 1.035 322 K CA -0.279 56.030 56.287 0.037 0.000 0.899 322 K CB 0.708 33.230 32.500 0.037 0.000 1.085 322 K HN 0.052 nan 8.250 nan 0.000 0.498 323 I N 1.281 121.877 120.570 0.043 0.000 2.534 323 I HA 0.070 4.240 4.170 -0.000 0.000 0.288 323 I C 0.726 176.869 176.117 0.042 0.000 1.077 323 I CA -0.371 60.958 61.300 0.049 0.000 1.051 323 I CB 2.316 40.348 38.000 0.053 0.000 1.234 323 I HN 0.725 nan 8.210 nan 0.000 0.425 324 T N 2.332 116.912 114.554 0.043 0.000 2.852 324 T HA 0.082 4.432 4.350 -0.000 0.000 0.256 324 T C -0.363 174.344 174.700 0.011 0.000 1.038 324 T CA 0.694 62.802 62.100 0.013 0.000 1.141 324 T CB -0.142 68.740 68.868 0.023 0.000 0.869 324 T HN 0.733 nan 8.240 nan 0.000 0.439 325 D N -0.016 120.437 120.400 0.090 0.000 2.663 325 D HA 0.490 5.130 4.640 -0.000 0.000 0.233 325 D C -1.349 175.123 176.300 0.288 0.000 1.240 325 D CA -0.950 53.145 54.000 0.159 0.000 0.774 325 D CB 0.759 41.628 40.800 0.116 0.000 1.443 325 D HN 0.262 nan 8.370 nan 0.000 0.441 326 F N 0.456 120.495 119.950 0.148 0.000 2.599 326 F HA 0.865 5.392 4.527 0.000 0.000 0.311 326 F C -2.060 173.919 175.800 0.299 0.000 1.076 326 F CA -1.373 56.691 58.000 0.108 0.000 0.937 326 F CB 1.636 40.650 39.000 0.022 0.000 1.282 326 F HN 0.417 nan 8.300 nan 0.000 0.460 327 F N 0.954 120.644 119.950 -0.433 0.000 2.662 327 F HA 0.879 5.406 4.527 -0.000 0.000 0.312 327 F C -1.224 174.470 175.800 -0.176 0.000 1.113 327 F CA -0.876 56.883 58.000 -0.402 0.000 0.951 327 F CB 1.620 40.600 39.000 -0.033 0.000 1.344 327 F HN 0.755 nan 8.300 nan 0.000 0.462 328 S N 1.137 117.006 115.700 0.281 0.000 2.537 328 S HA 0.870 5.340 4.470 -0.000 0.000 0.270 328 S C -1.476 173.498 174.600 0.623 0.000 1.142 328 S CA -0.751 57.687 58.200 0.397 0.000 0.870 328 S CB 1.822 65.351 63.200 0.548 0.000 1.112 328 S HN 1.353 nan 8.310 nan 0.000 0.466 329 F N -0.631 119.627 119.950 0.512 0.000 2.613 329 F HA 0.862 5.389 4.527 0.000 0.000 0.310 329 F C -1.293 174.660 175.800 0.256 0.000 1.085 329 F CA -1.581 56.609 58.000 0.318 0.000 0.945 329 F CB 0.762 39.822 39.000 0.100 0.000 1.298 329 F HN 0.769 nan 8.300 nan 0.000 0.455 330 Y N -0.428 120.043 120.300 0.285 0.000 2.393 330 Y HA 0.719 5.269 4.550 -0.000 0.000 0.341 330 Y C -0.414 175.638 175.900 0.255 0.000 0.988 330 Y CA -1.613 56.569 58.100 0.137 0.000 1.078 330 Y CB 1.510 39.897 38.460 -0.121 0.000 1.203 330 Y HN 0.817 nan 8.280 nan 0.000 0.453 331 S N 5.254 121.173 115.700 0.365 0.000 2.448 331 S HA 0.431 4.901 4.470 -0.000 0.000 0.279 331 S C -0.903 173.832 174.600 0.225 0.000 1.195 331 S CA -0.630 57.709 58.200 0.232 0.000 1.051 331 S CB -0.325 63.058 63.200 0.304 0.000 0.948 331 S HN 0.781 nan 8.310 nan 0.000 0.493 332 L N 8.443 129.731 121.223 0.109 0.000 2.492 332 L HA 0.487 4.827 4.340 -0.000 0.000 0.258 332 L C -2.432 174.417 176.870 -0.036 0.000 1.028 332 L CA -1.867 52.944 54.840 -0.047 0.000 0.900 332 L CB 2.151 44.165 42.059 -0.075 0.000 1.191 332 L HN 0.528 nan 8.230 nan 0.000 0.459 333 P HA 0.270 nan 4.420 nan 0.000 0.278 333 P C -0.991 176.374 177.300 0.108 0.000 1.266 333 P CA -0.174 62.893 63.100 -0.055 0.000 0.807 333 P CB 1.125 32.786 31.700 -0.065 0.000 1.094 334 F N -1.178 118.611 119.950 -0.268 0.000 2.483 334 F HA 0.340 4.867 4.527 -0.000 0.000 0.329 334 F C 0.984 176.684 175.800 -0.167 0.000 1.064 334 F CA -0.706 57.144 58.000 -0.250 0.000 0.986 334 F CB 2.133 40.941 39.000 -0.321 0.000 1.218 334 F HN 0.062 nan 8.300 nan 0.000 0.484 335 T N 4.105 118.660 114.554 0.001 0.000 2.771 335 T HA 0.409 4.759 4.350 -0.000 0.000 0.281 335 T C -0.370 174.345 174.700 0.025 0.000 0.982 335 T CA -0.495 61.601 62.100 -0.005 0.000 0.978 335 T CB 0.421 69.279 68.868 -0.016 0.000 0.930 335 T HN 0.129 nan 8.240 nan 0.000 0.447 336 I N 5.398 125.973 120.570 0.008 0.000 2.315 336 I HA 0.360 4.530 4.170 -0.000 0.000 0.291 336 I C 0.176 176.314 176.117 0.035 0.000 1.006 336 I CA -0.487 60.827 61.300 0.024 0.000 1.265 336 I CB 0.619 38.597 38.000 -0.037 0.000 1.387 336 I HN 0.465 nan 8.210 nan 0.000 0.475 337 L N 6.764 128.019 121.223 0.054 0.000 2.352 337 L HA 0.456 4.796 4.340 -0.000 0.000 0.269 337 L C 0.908 177.798 176.870 0.033 0.000 1.034 337 L CA -0.541 54.316 54.840 0.029 0.000 0.806 337 L CB 0.768 42.831 42.059 0.008 0.000 1.244 337 L HN 0.582 nan 8.230 nan 0.000 0.447 338 N N -0.037 118.673 118.700 0.015 0.000 2.857 338 N HA -0.232 4.508 4.740 -0.000 0.000 0.242 338 N C 0.041 175.558 175.510 0.013 0.000 0.983 338 N CA 0.920 53.977 53.050 0.011 0.000 0.934 338 N CB -1.348 37.147 38.487 0.013 0.000 1.115 338 N HN 0.672 nan 8.380 nan 0.000 0.593 339 N N 1.600 120.313 118.700 0.021 0.000 2.408 339 N HA 0.185 4.925 4.740 -0.000 0.000 0.257 339 N C 0.838 176.348 175.510 0.000 0.000 1.064 339 N CA 0.384 53.448 53.050 0.023 0.000 0.952 339 N CB 0.659 39.182 38.487 0.059 0.000 1.093 339 N HN 0.102 nan 8.380 nan 0.000 0.490 340 T N 2.810 117.353 114.554 -0.019 0.000 2.778 340 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 340 T C 1.481 176.129 174.700 -0.086 0.000 1.050 340 T CA 1.258 63.331 62.100 -0.044 0.000 1.137 340 T CB 0.301 69.142 68.868 -0.044 0.000 0.860 340 T HN 0.509 nan 8.240 nan 0.000 0.468 341 K N -0.877 119.453 120.400 -0.116 0.000 2.370 341 K HA 0.161 4.480 4.320 -0.000 0.000 0.194 341 K C -0.630 175.658 176.600 -0.519 0.000 1.070 341 K CA 0.171 56.272 56.287 -0.310 0.000 0.998 341 K CB 0.603 32.892 32.500 -0.353 0.000 0.911 341 K HN 0.347 nan 8.250 nan 0.000 0.533 342 Y N -0.334 119.919 120.300 -0.078 0.000 2.512 342 Y HA 0.268 4.818 4.550 -0.000 0.000 0.348 342 Y C 0.623 176.475 175.900 -0.080 0.000 0.990 342 Y CA -0.936 57.109 58.100 -0.091 0.000 1.033 342 Y CB 1.916 40.300 38.460 -0.127 0.000 1.259 342 Y HN -0.303 nan 8.280 nan 0.000 0.461 343 K N 0.458 120.912 120.400 0.090 0.000 2.424 343 K HA 0.201 4.521 4.320 -0.000 0.000 0.198 343 K C -0.833 175.772 176.600 0.007 0.000 1.190 343 K CA 0.468 56.772 56.287 0.028 0.000 0.935 343 K CB 0.446 32.949 32.500 0.004 0.000 1.087 343 K HN 0.822 nan 8.250 nan 0.000 0.524 344 D N -0.192 120.208 120.400 0.000 0.000 2.581 344 D HA 0.463 5.103 4.640 -0.000 0.000 0.232 344 D C -1.205 175.027 176.300 -0.113 0.000 1.143 344 D CA -0.724 53.248 54.000 -0.045 0.000 0.881 344 D CB 1.604 42.383 40.800 -0.035 0.000 1.500 344 D HN -0.200 nan 8.370 nan 0.000 0.458 345 L N 0.840 121.965 121.223 -0.163 0.000 2.406 345 L HA 0.656 4.996 4.340 -0.000 0.000 0.270 345 L C -0.136 176.581 176.870 -0.255 0.000 0.982 345 L CA -0.210 54.460 54.840 -0.283 0.000 0.843 345 L CB 1.513 43.291 42.059 -0.469 0.000 1.225 345 L HN 0.685 nan 8.230 nan 0.000 0.412 346 G N 6.019 114.679 108.800 -0.234 0.000 2.354 346 G HA2 0.480 4.440 3.960 -0.000 0.000 0.266 346 G HA3 0.480 4.440 3.960 -0.000 0.000 0.266 346 G C -0.490 174.228 174.900 -0.304 0.000 1.242 346 G CA -0.136 44.836 45.100 -0.213 0.000 0.923 346 G HN 0.583 nan 8.290 nan 0.000 0.476 347 I N 2.495 122.874 120.570 -0.317 0.000 2.468 347 I HA 0.338 4.508 4.170 -0.000 0.000 0.284 347 I C 0.703 176.531 176.117 -0.482 0.000 1.038 347 I CA -0.741 60.278 61.300 -0.468 0.000 1.083 347 I CB 2.108 39.760 38.000 -0.580 0.000 1.223 347 I HN 0.535 nan 8.210 nan 0.000 0.443 348 G N 5.213 113.634 108.800 -0.632 0.000 2.356 348 G HA2 0.524 4.484 3.960 -0.000 0.000 0.298 348 G HA3 0.524 4.484 3.960 -0.000 0.000 0.298 348 G C -1.391 172.873 174.900 -1.060 0.000 1.145 348 G CA -0.135 44.498 45.100 -0.778 0.000 0.850 348 G HN 0.411 nan 8.290 nan 0.000 0.487 349 Y N 1.194 120.997 120.300 -0.828 0.000 2.328 349 Y HA 0.316 4.866 4.550 -0.000 0.000 0.336 349 Y C 0.218 175.853 175.900 -0.441 0.000 0.960 349 Y CA -0.925 56.756 58.100 -0.697 0.000 1.134 349 Y CB 2.141 40.078 38.460 -0.871 0.000 1.166 349 Y HN 0.482 nan 8.280 nan 0.000 0.464 350 L N 4.369 125.574 121.223 -0.030 0.000 2.462 350 L HA 0.039 4.379 4.340 -0.000 0.000 0.272 350 L C -0.514 176.693 176.870 0.563 0.000 1.166 350 L CA 0.506 55.603 54.840 0.429 0.000 0.880 350 L CB -0.167 42.286 42.059 0.656 0.000 1.142 350 L HN 0.715 nan 8.230 nan 0.000 0.473 351 Y N 4.916 125.489 120.300 0.456 0.000 2.737 351 Y HA 0.349 4.899 4.550 -0.000 0.000 0.190 351 Y C -0.452 175.561 175.900 0.189 0.000 0.946 351 Y CA -0.062 58.245 58.100 0.345 0.000 1.347 351 Y CB -0.067 38.702 38.460 0.515 0.000 1.071 351 Y HN 0.467 nan 8.280 nan 0.000 0.460 352 Y N 0.711 121.281 120.300 0.450 0.000 2.393 352 Y HA 0.442 4.992 4.550 -0.000 0.000 0.341 352 Y C -0.958 175.010 175.900 0.115 0.000 0.988 352 Y CA -1.222 57.032 58.100 0.257 0.000 1.078 352 Y CB 1.053 39.659 38.460 0.243 0.000 1.203 352 Y HN 0.224 nan 8.280 nan 0.000 0.453 353 Y N -0.568 119.957 120.300 0.374 0.000 2.677 353 Y HA 0.965 5.515 4.550 -0.000 0.000 0.334 353 Y C -1.278 174.839 175.900 0.361 0.000 1.154 353 Y CA -2.233 55.932 58.100 0.108 0.000 1.070 353 Y CB 1.677 40.199 38.460 0.104 0.000 1.294 353 Y HN 0.624 nan 8.280 nan 0.000 0.475 354 A N 1.443 124.468 122.820 0.343 0.000 2.538 354 A HA 0.481 4.801 4.320 -0.000 0.000 0.293 354 A C -1.054 176.500 177.584 -0.050 0.000 1.065 354 A CA -0.200 51.857 52.037 0.033 0.000 0.936 354 A CB 0.574 19.900 19.000 0.544 0.000 1.481 354 A HN 0.936 nan 8.150 nan 0.000 0.394 355 T N 0.225 114.567 114.554 -0.353 0.000 2.928 355 T HA 0.468 4.818 4.350 -0.000 0.000 0.284 355 T C 0.910 175.305 174.700 -0.508 0.000 1.008 355 T CA 0.430 62.388 62.100 -0.237 0.000 1.057 355 T CB 0.854 69.640 68.868 -0.138 0.000 1.018 355 T HN 0.715 nan 8.240 nan 0.000 0.493 356 D N 2.054 122.066 120.400 -0.647 0.000 2.350 356 D HA 0.183 4.823 4.640 -0.000 0.000 0.213 356 D C 1.950 177.938 176.300 -0.519 0.000 1.031 356 D CA 0.623 53.845 54.000 -1.296 0.000 0.861 356 D CB -0.470 39.871 40.800 -0.765 0.000 0.926 356 D HN 0.514 nan 8.370 nan 0.000 0.520 357 A N 1.860 124.558 122.820 -0.203 0.000 1.985 357 A HA -0.259 4.061 4.320 -0.000 0.000 0.223 357 A C 1.664 179.329 177.584 0.135 0.000 1.189 357 A CA 2.150 54.185 52.037 -0.003 0.000 0.658 357 A CB -0.649 18.356 19.000 0.007 0.000 0.820 357 A HN 0.507 nan 8.150 nan 0.000 0.464 358 D N -2.399 118.124 120.400 0.205 0.000 2.463 358 D HA 0.162 4.802 4.640 -0.000 0.000 0.224 358 D C 0.964 177.592 176.300 0.546 0.000 1.174 358 D CA -0.424 53.768 54.000 0.319 0.000 0.829 358 D CB -0.797 40.102 40.800 0.165 0.000 0.993 358 D HN 0.562 nan 8.370 nan 0.000 0.497 359 F N 0.880 120.955 119.950 0.208 0.000 2.234 359 F HA -0.022 4.505 4.527 -0.000 0.000 0.296 359 F C 2.499 178.387 175.800 0.148 0.000 1.089 359 F CA 0.288 58.381 58.000 0.155 0.000 1.343 359 F CB 0.195 39.267 39.000 0.120 0.000 1.040 359 F HN -0.045 nan 8.300 nan 0.000 0.498 360 Q N 0.047 120.068 119.800 0.368 0.000 2.124 360 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 360 Q C 0.363 176.409 176.000 0.077 0.000 0.977 360 Q CA 0.931 56.835 55.803 0.168 0.000 0.850 360 Q CB -0.196 28.593 28.738 0.085 0.000 0.901 360 Q HN 0.234 nan 8.270 nan 0.000 0.429 361 F N 0.336 120.350 119.950 0.106 0.000 2.426 361 F HA 0.036 4.563 4.527 -0.000 0.000 0.309 361 F C 1.591 177.425 175.800 0.056 0.000 1.246 361 F CA 0.356 58.402 58.000 0.076 0.000 1.229 361 F CB 0.522 39.573 39.000 0.085 0.000 1.255 361 F HN -0.233 nan 8.300 nan 0.000 0.558 362 K N -0.657 119.883 120.400 0.233 0.000 2.312 362 K HA 0.039 4.359 4.320 -0.000 0.000 0.206 362 K C -0.071 176.587 176.600 0.095 0.000 1.121 362 K CA 0.084 56.438 56.287 0.112 0.000 0.923 362 K CB 0.142 32.675 32.500 0.057 0.000 1.162 362 K HN 0.517 nan 8.250 nan 0.000 0.478 363 D N 1.343 121.817 120.400 0.124 0.000 2.210 363 D HA 0.042 4.682 4.640 -0.000 0.000 0.249 363 D C 0.504 176.877 176.300 0.121 0.000 1.078 363 D CA -0.003 54.052 54.000 0.091 0.000 0.875 363 D CB 1.695 42.546 40.800 0.084 0.000 1.175 363 D HN 0.005 nan 8.370 nan 0.000 0.440 364 R N 3.101 123.668 120.500 0.113 0.000 2.062 364 R HA -0.092 4.248 4.340 -0.000 0.000 0.229 364 R C 1.370 177.824 176.300 0.258 0.000 1.128 364 R CA 0.950 57.150 56.100 0.165 0.000 0.960 364 R CB -0.110 30.291 30.300 0.168 0.000 0.855 364 R HN 0.404 nan 8.270 nan 0.000 0.432 365 F N 1.591 121.524 119.950 -0.028 0.000 2.802 365 F HA 0.049 4.576 4.527 -0.000 0.000 0.300 365 F C 0.249 176.037 175.800 -0.021 0.000 1.168 365 F CA -0.258 57.728 58.000 -0.024 0.000 1.433 365 F CB -0.743 38.245 39.000 -0.020 0.000 1.115 365 F HN 0.036 nan 8.300 nan 0.000 0.582 366 D N 0.824 121.313 120.400 0.148 0.000 2.434 366 D HA 0.002 4.642 4.640 -0.000 0.000 0.252 366 D C -1.629 174.675 176.300 0.007 0.000 1.185 366 D CA -1.326 52.726 54.000 0.086 0.000 0.886 366 D CB 1.056 41.928 40.800 0.121 0.000 1.148 366 D HN -0.079 nan 8.370 nan 0.000 0.483 367 P HA -0.219 nan 4.420 nan 0.000 0.217 367 P C 0.455 177.722 177.300 -0.055 0.000 1.158 367 P CA 1.793 64.880 63.100 -0.022 0.000 0.887 367 P CB 0.142 31.845 31.700 0.006 0.000 0.792 368 K N -1.719 118.661 120.400 -0.033 0.000 2.404 368 K HA 0.251 4.571 4.320 -0.000 0.000 0.194 368 K C 1.708 178.067 176.600 -0.402 0.000 1.023 368 K CA 0.454 56.706 56.287 -0.057 0.000 1.094 368 K CB 0.078 32.647 32.500 0.115 0.000 0.841 368 K HN 0.073 nan 8.250 nan 0.000 0.523 369 A N 0.731 123.208 122.820 -0.572 0.000 1.924 369 A HA -0.019 4.301 4.320 -0.000 0.000 0.211 369 A C 2.077 179.383 177.584 -0.464 0.000 1.198 369 A CA 0.972 52.387 52.037 -1.037 0.000 0.657 369 A CB -0.389 18.240 19.000 -0.619 0.000 0.852 369 A HN 0.102 nan 8.150 nan 0.000 0.454 370 T N 0.339 114.747 114.554 -0.243 0.000 2.720 370 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 370 T C 1.974 176.602 174.700 -0.119 0.000 1.037 370 T CA 1.793 63.809 62.100 -0.140 0.000 1.144 370 T CB -0.222 68.570 68.868 -0.125 0.000 0.864 370 T HN 0.601 nan 8.240 nan 0.000 0.444 371 K N 1.312 121.634 120.400 -0.130 0.000 2.032 371 K HA -0.080 4.240 4.320 -0.000 0.000 0.209 371 K C 2.505 179.056 176.600 -0.080 0.000 1.048 371 K CA 1.387 57.623 56.287 -0.086 0.000 0.927 371 K CB -0.407 32.054 32.500 -0.065 0.000 0.712 371 K HN 0.275 nan 8.250 nan 0.000 0.441 372 A N 1.421 124.158 122.820 -0.138 0.000 1.933 372 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 372 A C 2.156 179.715 177.584 -0.042 0.000 1.175 372 A CA 1.316 53.303 52.037 -0.084 0.000 0.628 372 A CB -0.608 18.312 19.000 -0.134 0.000 0.814 372 A HN 0.448 nan 8.150 nan 0.000 0.444 373 L N -0.803 120.391 121.223 -0.049 0.000 2.056 373 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 373 L C 2.622 179.515 176.870 0.038 0.000 1.078 373 L CA 2.011 56.869 54.840 0.030 0.000 0.749 373 L CB -0.326 41.778 42.059 0.074 0.000 0.901 373 L HN 0.519 nan 8.230 nan 0.000 0.433 374 K N -0.435 119.972 120.400 0.012 0.000 2.002 374 K HA -0.216 4.104 4.320 -0.000 0.000 0.209 374 K C 1.952 178.556 176.600 0.006 0.000 1.048 374 K CA 2.116 58.417 56.287 0.023 0.000 0.930 374 K CB -0.171 32.326 32.500 -0.004 0.000 0.714 374 K HN 0.444 nan 8.250 nan 0.000 0.438 375 T N -1.390 113.154 114.554 -0.016 0.000 2.962 375 T HA -0.092 4.258 4.350 -0.000 0.000 0.270 375 T C 1.926 176.600 174.700 -0.044 0.000 1.088 375 T CA 0.910 62.990 62.100 -0.033 0.000 1.127 375 T CB -0.047 68.803 68.868 -0.029 0.000 0.883 375 T HN 0.133 nan 8.240 nan 0.000 0.493 376 R N 0.579 121.060 120.500 -0.032 0.000 2.090 376 R HA 0.399 4.739 4.340 -0.000 0.000 0.219 376 R C 2.377 178.622 176.300 -0.092 0.000 1.100 376 R CA 0.757 56.830 56.100 -0.045 0.000 0.991 376 R CB -0.898 29.388 30.300 -0.023 0.000 0.893 376 R HN 0.442 nan 8.270 nan 0.000 0.443 377 L N -0.502 120.677 121.223 -0.073 0.000 2.093 377 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 377 L C 2.252 178.932 176.870 -0.317 0.000 1.085 377 L CA 1.198 55.941 54.840 -0.161 0.000 0.755 377 L CB -0.394 41.714 42.059 0.082 0.000 0.904 377 L HN 0.307 nan 8.230 nan 0.000 0.435 378 C N -0.058 119.146 119.300 -0.160 0.000 2.413 378 C HA -0.180 4.280 4.460 -0.000 0.000 0.278 378 C C 2.621 177.490 174.990 -0.200 0.000 1.224 378 C CA 0.724 59.636 59.018 -0.177 0.000 1.732 378 C CB -0.782 26.898 27.740 -0.101 0.000 2.050 378 C HN 0.506 nan 8.230 nan 0.000 0.463 379 E N 0.231 120.336 120.200 -0.159 0.000 2.130 379 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 379 E C 1.982 178.484 176.600 -0.164 0.000 0.998 379 E CA 1.251 57.577 56.400 -0.123 0.000 0.806 379 E CB -0.167 29.483 29.700 -0.082 0.000 0.738 379 E HN 0.637 nan 8.360 nan 0.000 0.459 380 L N -0.349 120.705 121.223 -0.282 0.000 2.084 380 L HA -0.107 4.233 4.340 -0.000 0.000 0.202 380 L C 2.242 178.594 176.870 -0.862 0.000 1.074 380 L CA 0.396 54.941 54.840 -0.491 0.000 0.757 380 L CB -0.155 41.662 42.059 -0.403 0.000 0.918 380 L HN 0.087 nan 8.230 nan 0.000 0.444 381 I N -1.049 119.032 120.570 -0.816 0.000 2.252 381 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 381 I C 2.383 178.110 176.117 -0.651 0.000 1.102 381 I CA 1.308 62.065 61.300 -0.904 0.000 1.385 381 I CB -0.520 36.701 38.000 -1.299 0.000 1.064 381 I HN 0.122 nan 8.210 nan 0.000 0.414 382 Y N 1.898 121.868 120.300 -0.550 0.000 2.069 382 Y HA -0.395 4.155 4.550 -0.000 0.000 0.278 382 Y C 2.232 177.895 175.900 -0.395 0.000 1.175 382 Y CA 2.206 60.068 58.100 -0.397 0.000 1.134 382 Y CB -0.542 37.750 38.460 -0.280 0.000 0.965 382 Y HN 0.233 nan 8.280 nan 0.000 0.498 383 D N -0.094 120.110 120.400 -0.327 0.000 2.149 383 D HA -0.187 4.453 4.640 -0.000 0.000 0.198 383 D C 2.270 178.337 176.300 -0.388 0.000 0.990 383 D CA 1.496 55.300 54.000 -0.326 0.000 0.839 383 D CB -0.660 40.040 40.800 -0.167 0.000 0.948 383 D HN 0.505 nan 8.370 nan 0.000 0.460 384 A N -0.026 122.455 122.820 -0.564 0.000 2.019 384 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 384 A C 2.376 179.666 177.584 -0.490 0.000 1.164 384 A CA 1.339 53.154 52.037 -0.369 0.000 0.644 384 A CB -0.725 17.983 19.000 -0.487 0.000 0.805 384 A HN 0.389 nan 8.150 nan 0.000 0.449 385 C N -1.308 117.561 119.300 -0.719 0.000 2.500 385 C HA 0.064 4.524 4.460 -0.000 0.000 0.279 385 C C 2.359 177.070 174.990 -0.465 0.000 1.288 385 C CA 0.492 59.096 59.018 -0.690 0.000 1.710 385 C CB -1.396 25.895 27.740 -0.748 0.000 2.052 385 C HN 0.561 nan 8.230 nan 0.000 0.488 386 I N 1.376 121.650 120.570 -0.493 0.000 2.229 386 I HA -0.252 3.918 4.170 -0.000 0.000 0.250 386 I C 2.384 178.372 176.117 -0.214 0.000 1.096 386 I CA 1.737 62.825 61.300 -0.354 0.000 1.358 386 I CB -0.448 37.334 38.000 -0.363 0.000 1.047 386 I HN 0.327 nan 8.210 nan 0.000 0.422 387 L N -0.930 120.180 121.223 -0.189 0.000 2.095 387 L HA -0.112 4.228 4.340 -0.000 0.000 0.204 387 L C 2.636 179.527 176.870 0.035 0.000 1.080 387 L CA 1.148 55.960 54.840 -0.047 0.000 0.759 387 L CB -0.674 41.345 42.059 -0.066 0.000 0.914 387 L HN 0.232 nan 8.230 nan 0.000 0.439 388 A N 0.148 122.868 122.820 -0.167 0.000 1.845 388 A HA -0.264 4.056 4.320 -0.000 0.000 0.215 388 A C 2.341 179.803 177.584 -0.203 0.000 1.195 388 A CA 1.979 53.809 52.037 -0.344 0.000 0.616 388 A CB -0.556 18.089 19.000 -0.592 0.000 0.832 388 A HN 0.281 nan 8.150 nan 0.000 0.443 389 K N -0.455 119.825 120.400 -0.201 0.000 2.052 389 K HA -0.281 4.039 4.320 -0.000 0.000 0.215 389 K C 1.700 178.246 176.600 -0.091 0.000 1.053 389 K CA 2.050 58.243 56.287 -0.156 0.000 0.934 389 K CB -0.312 32.084 32.500 -0.173 0.000 0.717 389 K HN 0.437 nan 8.250 nan 0.000 0.450 390 N N 0.167 118.830 118.700 -0.060 0.000 2.272 390 N HA -0.144 4.596 4.740 -0.000 0.000 0.185 390 N C 0.721 176.262 175.510 0.051 0.000 1.014 390 N CA 1.297 54.347 53.050 -0.000 0.000 0.870 390 N CB -0.171 38.329 38.487 0.022 0.000 0.975 390 N HN 0.289 nan 8.380 nan 0.000 0.433 391 A N 0.259 123.117 122.820 0.063 0.000 2.640 391 A HA 0.201 4.521 4.320 -0.000 0.000 0.282 391 A C 0.022 177.625 177.584 0.032 0.000 1.357 391 A CA -0.448 51.663 52.037 0.123 0.000 0.946 391 A CB -0.445 18.701 19.000 0.244 0.000 1.065 391 A HN 0.163 nan 8.150 nan 0.000 0.541 392 N N 0.181 118.874 118.700 -0.012 0.000 2.725 392 N HA -0.141 4.599 4.740 -0.000 0.000 0.251 392 N C -0.303 175.152 175.510 -0.092 0.000 1.031 392 N CA 1.364 54.388 53.050 -0.042 0.000 0.720 392 N CB -1.097 37.384 38.487 -0.010 0.000 0.930 392 N HN 0.682 nan 8.380 nan 0.000 0.543 393 M N -0.621 118.893 119.600 -0.145 0.000 2.478 393 M HA 0.273 4.753 4.480 -0.000 0.000 0.327 393 M C 0.868 177.040 176.300 -0.213 0.000 1.187 393 M CA -0.475 54.700 55.300 -0.208 0.000 1.022 393 M CB 1.164 33.593 32.600 -0.285 0.000 1.629 393 M HN -0.138 nan 8.290 nan 0.000 0.461 394 D N 0.446 120.694 120.400 -0.254 0.000 2.423 394 D HA 0.193 4.833 4.640 -0.000 0.000 0.212 394 D C -0.174 175.965 176.300 -0.268 0.000 1.060 394 D CA 0.657 54.503 54.000 -0.258 0.000 0.872 394 D CB 1.521 42.137 40.800 -0.307 0.000 1.012 394 D HN 0.300 nan 8.370 nan 0.000 0.503 395 V N 0.463 120.193 119.914 -0.306 0.000 2.971 395 V HA 0.474 4.594 4.120 -0.000 0.000 0.309 395 V C -1.999 173.915 176.094 -0.300 0.000 1.130 395 V CA -0.880 61.248 62.300 -0.288 0.000 0.964 395 V CB 2.943 34.568 31.823 -0.329 0.000 1.029 395 V HN -0.090 nan 8.190 nan 0.000 0.427 396 F N 5.309 125.037 119.950 -0.371 0.000 2.467 396 F HA 0.573 5.100 4.527 -0.000 0.000 0.336 396 F C 0.194 175.911 175.800 -0.138 0.000 1.123 396 F CA -0.305 57.493 58.000 -0.338 0.000 0.964 396 F CB 1.477 40.252 39.000 -0.376 0.000 1.136 396 F HN 0.533 nan 8.300 nan 0.000 0.447 397 N N 4.361 122.942 118.700 -0.198 0.000 2.392 397 N HA 0.721 5.461 4.740 -0.000 0.000 0.283 397 N C -1.274 174.416 175.510 0.299 0.000 1.003 397 N CA -0.518 52.574 53.050 0.070 0.000 0.892 397 N CB 1.758 40.095 38.487 -0.251 0.000 1.193 397 N HN 0.622 nan 8.380 nan 0.000 0.487 398 A N 2.237 125.308 122.820 0.418 0.000 2.430 398 A HA 0.768 5.088 4.320 -0.000 0.000 0.300 398 A C -1.033 176.649 177.584 0.163 0.000 1.124 398 A CA -0.491 51.705 52.037 0.265 0.000 0.766 398 A CB 1.047 20.066 19.000 0.030 0.000 1.328 398 A HN 0.496 nan 8.150 nan 0.000 0.424 399 L N -0.612 120.683 121.223 0.120 0.000 2.335 399 L HA 0.537 4.877 4.340 -0.000 0.000 0.268 399 L C 1.687 178.537 176.870 -0.033 0.000 1.016 399 L CA 0.050 54.909 54.840 0.033 0.000 0.805 399 L CB 1.298 43.393 42.059 0.059 0.000 1.311 399 L HN 0.846 nan 8.230 nan 0.000 0.456 400 T N -3.936 110.593 114.554 -0.042 0.000 3.194 400 T HA 0.055 4.405 4.350 -0.000 0.000 0.251 400 T C 0.773 175.436 174.700 -0.062 0.000 1.132 400 T CA 0.169 62.229 62.100 -0.067 0.000 1.028 400 T CB -0.583 68.268 68.868 -0.029 0.000 0.976 400 T HN 0.583 nan 8.240 nan 0.000 0.535 401 S N 0.783 116.458 115.700 -0.041 0.000 2.626 401 S HA 0.338 4.808 4.470 -0.000 0.000 0.257 401 S C 0.468 175.011 174.600 -0.096 0.000 1.288 401 S CA -0.641 57.504 58.200 -0.092 0.000 0.980 401 S CB 0.455 63.594 63.200 -0.101 0.000 0.975 401 S HN 0.694 nan 8.310 nan 0.000 0.577 402 Q N -0.335 119.336 119.800 -0.215 0.000 1.202 402 Q HA -0.206 4.134 4.340 -0.000 0.000 0.374 402 Q C -0.712 175.382 176.000 0.157 0.000 1.006 402 Q CA 1.366 57.008 55.803 -0.269 0.000 0.589 402 Q CB -1.263 27.298 28.738 -0.294 0.000 4.807 402 Q HN 0.880 nan 8.270 nan 0.000 0.528 403 D N 0.494 121.134 120.400 0.399 0.000 2.561 403 D HA 0.112 4.752 4.640 -0.000 0.000 0.232 403 D C 0.404 176.763 176.300 0.098 0.000 1.198 403 D CA 0.040 54.240 54.000 0.334 0.000 0.826 403 D CB -0.208 40.910 40.800 0.531 0.000 0.992 403 D HN 0.253 nan 8.370 nan 0.000 0.490 404 N N -0.113 118.520 118.700 -0.111 0.000 2.300 404 N HA -0.088 4.652 4.740 -0.000 0.000 0.179 404 N C 1.706 176.650 175.510 -0.943 0.000 1.016 404 N CA 0.608 53.169 53.050 -0.814 0.000 0.876 404 N CB -0.064 38.134 38.487 -0.482 0.000 0.979 404 N HN 0.061 nan 8.380 nan 0.000 0.432 405 T N 2.088 116.384 114.554 -0.430 0.000 2.918 405 T HA -0.002 4.348 4.350 -0.000 0.000 0.271 405 T C 1.985 176.513 174.700 -0.285 0.000 1.104 405 T CA 0.471 62.387 62.100 -0.307 0.000 1.114 405 T CB -0.078 68.691 68.868 -0.165 0.000 0.855 405 T HN 0.154 nan 8.240 nan 0.000 0.518 406 L N 0.260 121.306 121.223 -0.295 0.000 2.005 406 L HA -0.031 4.309 4.340 -0.000 0.000 0.207 406 L C 2.176 178.973 176.870 -0.122 0.000 1.072 406 L CA 1.621 56.364 54.840 -0.161 0.000 0.744 406 L CB -0.492 41.535 42.059 -0.053 0.000 0.895 406 L HN 0.440 nan 8.230 nan 0.000 0.433 407 F N -2.260 117.639 119.950 -0.085 0.000 2.746 407 F HA 0.224 4.751 4.527 -0.000 0.000 0.297 407 F C 1.786 177.545 175.800 -0.069 0.000 1.113 407 F CA -0.203 57.742 58.000 -0.092 0.000 1.367 407 F CB -1.091 37.829 39.000 -0.133 0.000 1.111 407 F HN -0.158 nan 8.300 nan 0.000 0.590 408 L N 1.005 122.147 121.223 -0.136 0.000 1.955 408 L HA -0.199 4.141 4.340 -0.000 0.000 0.213 408 L C 2.158 179.151 176.870 0.204 0.000 1.072 408 L CA 1.871 56.722 54.840 0.018 0.000 0.755 408 L CB -0.867 41.054 42.059 -0.231 0.000 0.888 408 L HN 0.024 nan 8.230 nan 0.000 0.432 409 D N -0.330 120.116 120.400 0.077 0.000 2.221 409 D HA -0.195 4.445 4.640 -0.000 0.000 0.204 409 D C 1.811 178.157 176.300 0.078 0.000 0.982 409 D CA 1.040 55.084 54.000 0.073 0.000 0.857 409 D CB -0.347 40.466 40.800 0.023 0.000 0.934 409 D HN 0.364 nan 8.370 nan 0.000 0.475 410 D N -0.040 120.413 120.400 0.088 0.000 2.103 410 D HA -0.025 4.615 4.640 -0.000 0.000 0.199 410 D C 1.468 177.816 176.300 0.079 0.000 0.978 410 D CA 0.561 54.599 54.000 0.063 0.000 0.829 410 D CB 0.251 41.083 40.800 0.053 0.000 0.981 410 D HN 0.236 nan 8.370 nan 0.000 0.464 411 L N 0.872 122.201 121.223 0.176 0.000 2.688 411 L HA 0.128 4.468 4.340 -0.000 0.000 0.234 411 L C 0.400 177.342 176.870 0.120 0.000 1.192 411 L CA -0.015 54.928 54.840 0.173 0.000 0.984 411 L CB 0.068 42.273 42.059 0.244 0.000 1.232 411 L HN -0.124 nan 8.230 nan 0.000 0.465 412 K N -2.054 118.407 120.400 0.102 0.000 3.500 412 K HA -0.223 4.097 4.320 -0.000 0.000 0.313 412 K C -0.113 176.498 176.600 0.017 0.000 1.338 412 K CA 0.698 56.997 56.287 0.020 0.000 0.963 412 K CB -2.341 30.122 32.500 -0.062 0.000 1.267 412 K HN 0.192 nan 8.250 nan 0.000 0.448 413 F N 2.391 122.354 119.950 0.023 0.000 2.519 413 F HA 0.113 4.640 4.527 -0.000 0.000 0.381 413 F C 1.816 177.623 175.800 0.012 0.000 1.076 413 F CA 1.105 59.124 58.000 0.031 0.000 1.095 413 F CB 0.258 39.296 39.000 0.063 0.000 1.046 413 F HN 0.104 nan 8.300 nan 0.000 0.559 414 G N 4.674 113.551 108.800 0.127 0.000 2.476 414 G HA2 0.460 4.420 3.960 -0.000 0.000 0.269 414 G HA3 0.460 4.420 3.960 -0.000 0.000 0.269 414 G C -2.846 172.096 174.900 0.070 0.000 1.195 414 G CA -1.596 43.558 45.100 0.090 0.000 0.843 414 G HN 0.285 nan 8.290 nan 0.000 0.545 415 P HA 0.236 nan 4.420 nan 0.000 0.276 415 P C 0.469 177.764 177.300 -0.009 0.000 1.264 415 P CA -0.005 63.097 63.100 0.003 0.000 0.769 415 P CB 1.131 32.842 31.700 0.018 0.000 0.840 416 G N 2.580 111.321 108.800 -0.099 0.000 2.476 416 G HA2 0.221 4.181 3.960 -0.000 0.000 0.286 416 G HA3 0.221 4.181 3.960 -0.000 0.000 0.286 416 G C 0.510 175.360 174.900 -0.084 0.000 1.177 416 G CA -0.553 44.537 45.100 -0.016 0.000 0.870 416 G HN 0.506 nan 8.290 nan 0.000 0.528 417 D N 0.281 120.662 120.400 -0.032 0.000 2.339 417 D HA 0.067 4.707 4.640 -0.000 0.000 0.217 417 D C 1.085 177.263 176.300 -0.203 0.000 1.050 417 D CA -0.097 53.824 54.000 -0.131 0.000 0.856 417 D CB 0.120 40.910 40.800 -0.016 0.000 0.922 417 D HN 0.413 nan 8.370 nan 0.000 0.518 418 G N -0.030 108.718 108.800 -0.087 0.000 2.395 418 G HA2 0.440 4.400 3.960 -0.000 0.000 0.283 418 G HA3 0.440 4.400 3.960 -0.000 0.000 0.283 418 G C -1.111 173.765 174.900 -0.041 0.000 1.178 418 G CA -0.538 44.611 45.100 0.081 0.000 0.837 418 G HN 0.062 nan 8.290 nan 0.000 0.518 419 F N 0.326 120.450 119.950 0.289 0.000 2.508 419 F HA 0.491 5.018 4.527 -0.000 0.000 0.325 419 F C 0.192 176.063 175.800 0.119 0.000 1.090 419 F CA -0.828 57.262 58.000 0.150 0.000 0.945 419 F CB 2.414 41.477 39.000 0.106 0.000 1.156 419 F HN 0.094 nan 8.300 nan 0.000 0.463 420 L N 3.160 124.466 121.223 0.140 0.000 2.333 420 L HA 0.489 4.829 4.340 -0.000 0.000 0.280 420 L C -1.266 175.614 176.870 0.016 0.000 1.004 420 L CA -0.584 54.259 54.840 0.006 0.000 0.820 420 L CB 1.594 43.485 42.059 -0.280 0.000 1.247 420 L HN 0.713 nan 8.230 nan 0.000 0.416 421 N N 3.736 122.432 118.700 -0.006 0.000 2.400 421 N HA 0.463 5.203 4.740 -0.000 0.000 0.288 421 N C -1.387 173.974 175.510 -0.247 0.000 1.024 421 N CA -0.467 52.537 53.050 -0.077 0.000 0.894 421 N CB 1.486 39.921 38.487 -0.086 0.000 1.173 421 N HN 0.247 nan 8.380 nan 0.000 0.487 422 F N 2.216 121.991 119.950 -0.291 0.000 2.408 422 F HA 0.407 4.934 4.527 -0.000 0.000 0.344 422 F C -0.287 175.217 175.800 -0.494 0.000 1.112 422 F CA -0.336 57.524 58.000 -0.233 0.000 1.096 422 F CB 0.473 39.391 39.000 -0.136 0.000 1.129 422 F HN 0.357 nan 8.300 nan 0.000 0.486 423 Y N 2.467 122.615 120.300 -0.252 0.000 2.536 423 Y HA 0.708 5.258 4.550 -0.000 0.000 0.347 423 Y C -0.670 174.992 175.900 -0.397 0.000 1.000 423 Y CA -1.291 56.492 58.100 -0.529 0.000 1.051 423 Y CB 1.743 39.401 38.460 -1.336 0.000 1.259 423 Y HN 0.252 nan 8.280 nan 0.000 0.468 424 L N 2.894 124.095 121.223 -0.036 0.000 2.372 424 L HA 0.390 4.730 4.340 -0.000 0.000 0.274 424 L C -1.162 175.906 176.870 0.330 0.000 0.988 424 L CA -0.624 54.297 54.840 0.136 0.000 0.833 424 L CB 1.528 43.642 42.059 0.091 0.000 1.236 424 L HN 0.512 nan 8.230 nan 0.000 0.410 425 F N 4.536 124.723 119.950 0.395 0.000 2.438 425 F HA 0.208 4.735 4.527 -0.000 0.000 0.356 425 F C 1.221 177.249 175.800 0.380 0.000 1.099 425 F CA 0.207 58.477 58.000 0.450 0.000 1.185 425 F CB 0.318 39.587 39.000 0.448 0.000 1.115 425 F HN 0.738 nan 8.300 nan 0.000 0.526 426 N N 5.340 123.914 118.700 -0.212 0.000 2.726 426 N HA -0.289 4.451 4.740 -0.000 0.000 0.253 426 N C -1.857 173.780 175.510 0.212 0.000 1.059 426 N CA 0.391 53.441 53.050 -0.001 0.000 0.701 426 N CB -0.910 37.701 38.487 0.206 0.000 0.899 426 N HN 0.739 nan 8.380 nan 0.000 0.548 427 Y N -0.302 119.971 120.300 -0.044 0.000 2.409 427 Y HA 0.296 4.846 4.550 -0.000 0.000 0.321 427 Y C -0.867 174.988 175.900 -0.074 0.000 1.209 427 Y CA -0.863 57.180 58.100 -0.095 0.000 1.086 427 Y CB 1.040 39.419 38.460 -0.136 0.000 1.320 427 Y HN 0.065 nan 8.280 nan 0.000 0.440 428 R N 3.684 124.076 120.500 -0.179 0.000 2.204 428 R HA 0.750 5.090 4.340 -0.000 0.000 0.341 428 R C -0.876 175.482 176.300 0.097 0.000 1.035 428 R CA -0.440 55.623 56.100 -0.061 0.000 0.887 428 R CB 0.873 31.084 30.300 -0.149 0.000 1.114 428 R HN 0.533 nan 8.270 nan 0.000 0.473 429 A N 3.384 126.301 122.820 0.162 0.000 2.350 429 A HA 0.393 4.713 4.320 -0.000 0.000 0.324 429 A C -0.449 177.160 177.584 0.041 0.000 1.118 429 A CA -0.922 51.200 52.037 0.143 0.000 0.783 429 A CB 0.925 19.991 19.000 0.111 0.000 1.236 429 A HN 0.572 nan 8.150 nan 0.000 0.457 430 K N 2.186 122.602 120.400 0.027 0.000 2.401 430 K HA 0.262 4.582 4.320 -0.000 0.000 0.278 430 K C -2.472 174.121 176.600 -0.012 0.000 1.018 430 K CA -1.249 55.039 56.287 0.001 0.000 0.981 430 K CB -0.024 32.474 32.500 -0.003 0.000 0.933 430 K HN 0.376 nan 8.250 nan 0.000 0.477 431 P HA -0.112 nan 4.420 nan 0.000 0.261 431 P C -0.614 176.666 177.300 -0.032 0.000 1.158 431 P CA 0.828 63.910 63.100 -0.030 0.000 0.758 431 P CB 0.282 31.969 31.700 -0.022 0.000 0.763 432 I N 1.997 122.537 120.570 -0.050 0.000 2.404 432 I HA 0.176 4.346 4.170 -0.000 0.000 0.293 432 I C 0.543 176.628 176.117 -0.055 0.000 0.992 432 I CA -0.800 60.468 61.300 -0.054 0.000 1.149 432 I CB 1.575 39.525 38.000 -0.083 0.000 1.315 432 I HN 0.261 nan 8.210 nan 0.000 0.446 433 T N 2.001 116.542 114.554 -0.021 0.000 2.750 433 T HA 0.015 4.365 4.350 -0.000 0.000 0.277 433 T C 1.117 175.790 174.700 -0.045 0.000 0.996 433 T CA -0.176 61.920 62.100 -0.006 0.000 1.195 433 T CB 0.513 69.410 68.868 0.048 0.000 0.963 433 T HN 0.920 nan 8.240 nan 0.000 0.516 434 G N 1.254 110.026 108.800 -0.046 0.000 2.986 434 G HA2 0.461 4.421 3.960 -0.000 0.000 0.213 434 G HA3 0.461 4.421 3.960 -0.000 0.000 0.213 434 G C 1.127 176.009 174.900 -0.031 0.000 1.156 434 G CA -0.135 44.929 45.100 -0.060 0.000 0.763 434 G HN 1.746 nan 8.290 nan 0.000 0.547 435 G N -0.476 108.312 108.800 -0.019 0.000 2.131 435 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.223 435 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.223 435 G C 0.007 174.901 174.900 -0.010 0.000 0.990 435 G CA 0.101 45.187 45.100 -0.023 0.000 0.671 435 G HN 0.491 nan 8.290 nan 0.000 0.521 436 L N 0.089 121.316 121.223 0.006 0.000 2.385 436 L HA 0.456 4.796 4.340 -0.000 0.000 0.273 436 L C 0.171 177.047 176.870 0.009 0.000 0.990 436 L CA -1.175 53.678 54.840 0.021 0.000 0.821 436 L CB 1.707 43.796 42.059 0.049 0.000 1.279 436 L HN 0.115 nan 8.230 nan 0.000 0.412 437 N N 2.948 121.653 118.700 0.009 0.000 2.482 437 N HA 0.131 4.871 4.740 -0.000 0.000 0.260 437 N C -1.888 173.624 175.510 0.004 0.000 1.236 437 N CA -0.998 52.055 53.050 0.005 0.000 0.938 437 N CB 0.473 38.962 38.487 0.004 0.000 1.128 437 N HN 0.389 nan 8.380 nan 0.000 0.448 438 P HA -0.141 nan 4.420 nan 0.000 0.229 438 P C -0.030 177.266 177.300 -0.007 0.000 1.150 438 P CA 1.036 64.130 63.100 -0.010 0.000 0.765 438 P CB 0.035 31.729 31.700 -0.009 0.000 0.783 439 D N -2.892 117.512 120.400 0.006 0.000 2.369 439 D HA 0.015 4.655 4.640 -0.000 0.000 0.211 439 D C 0.559 176.882 176.300 0.038 0.000 1.077 439 D CA -0.308 53.702 54.000 0.016 0.000 0.842 439 D CB -0.645 40.164 40.800 0.016 0.000 0.947 439 D HN -0.123 nan 8.370 nan 0.000 0.509 440 N N -0.703 118.025 118.700 0.046 0.000 2.980 440 N HA -0.163 4.577 4.740 -0.000 0.000 0.213 440 N C -0.059 175.513 175.510 0.103 0.000 0.892 440 N CA 1.069 54.180 53.050 0.103 0.000 1.025 440 N CB -1.592 36.994 38.487 0.166 0.000 1.030 440 N HN 0.528 nan 8.380 nan 0.000 0.585 441 S N 0.354 116.089 115.700 0.058 0.000 2.641 441 S HA 0.439 4.909 4.470 -0.000 0.000 0.261 441 S C 0.287 174.901 174.600 0.023 0.000 1.257 441 S CA -0.483 57.740 58.200 0.038 0.000 0.983 441 S CB 0.835 64.048 63.200 0.021 0.000 0.990 441 S HN 0.203 nan 8.310 nan 0.000 0.572 442 N N 1.479 120.179 118.700 -0.000 0.000 2.442 442 N HA 0.217 4.957 4.740 -0.000 0.000 0.265 442 N C -1.076 174.412 175.510 -0.036 0.000 1.138 442 N CA -0.239 52.795 53.050 -0.028 0.000 0.956 442 N CB 0.395 38.848 38.487 -0.056 0.000 1.067 442 N HN 0.775 nan 8.380 nan 0.000 0.474 443 D N 2.823 123.201 120.400 -0.038 0.000 2.498 443 D HA -0.006 4.634 4.640 -0.000 0.000 0.229 443 D C 1.593 177.847 176.300 -0.077 0.000 1.188 443 D CA -0.423 53.550 54.000 -0.045 0.000 1.028 443 D CB 0.024 40.805 40.800 -0.032 0.000 1.087 443 D HN 0.470 nan 8.370 nan 0.000 0.510 444 I N 0.049 120.571 120.570 -0.080 0.000 2.700 444 I HA -0.149 4.021 4.170 -0.000 0.000 0.261 444 I C 0.940 176.973 176.117 -0.140 0.000 1.219 444 I CA 0.927 62.166 61.300 -0.102 0.000 1.463 444 I CB -0.583 37.369 38.000 -0.080 0.000 1.092 444 I HN 0.169 nan 8.210 nan 0.000 0.452 445 K N 1.863 122.178 120.400 -0.143 0.000 1.992 445 K HA 0.056 4.376 4.320 -0.000 0.000 0.210 445 K C 2.269 178.634 176.600 -0.391 0.000 1.036 445 K CA 1.193 57.359 56.287 -0.203 0.000 0.946 445 K CB -0.280 32.150 32.500 -0.116 0.000 0.742 445 K HN 0.182 nan 8.250 nan 0.000 0.442 446 R N 0.663 120.987 120.500 -0.292 0.000 2.153 446 R HA 0.129 4.469 4.340 -0.000 0.000 0.218 446 R C 0.478 176.643 176.300 -0.225 0.000 1.072 446 R CA 0.327 56.222 56.100 -0.342 0.000 0.990 446 R CB -0.073 30.268 30.300 0.070 0.000 0.889 446 R HN 0.163 nan 8.270 nan 0.000 0.452 447 R N -0.774 119.641 120.500 -0.142 0.000 4.026 447 R HA -0.224 4.116 4.340 -0.000 0.000 0.338 447 R C -0.159 176.146 176.300 0.008 0.000 0.241 447 R CA 1.329 57.392 56.100 -0.062 0.000 1.115 447 R CB -1.433 28.846 30.300 -0.035 0.000 1.047 447 R HN 0.261 nan 8.270 nan 0.000 0.539 448 S N -0.962 114.777 115.700 0.065 0.000 2.588 448 S HA 0.534 5.004 4.470 -0.000 0.000 0.275 448 S C -1.056 173.650 174.600 0.176 0.000 1.130 448 S CA -0.768 57.468 58.200 0.060 0.000 0.855 448 S CB 1.667 64.848 63.200 -0.031 0.000 1.116 448 S HN 0.469 nan 8.310 nan 0.000 0.472 449 N N 1.541 120.315 118.700 0.122 0.000 2.338 449 N HA 0.224 4.964 4.740 -0.000 0.000 0.251 449 N C -0.939 174.598 175.510 0.046 0.000 1.199 449 N CA 0.118 53.310 53.050 0.237 0.000 0.879 449 N CB 0.961 39.533 38.487 0.141 0.000 1.159 449 N HN 0.342 nan 8.380 nan 0.000 0.514 450 V N 0.734 120.541 119.914 -0.179 0.000 2.322 450 V HA 0.300 4.420 4.120 -0.000 0.000 0.258 450 V C 1.564 177.402 176.094 -0.428 0.000 1.074 450 V CA -0.295 61.789 62.300 -0.360 0.000 0.909 450 V CB 0.654 32.082 31.823 -0.658 0.000 1.090 450 V HN 0.246 nan 8.190 nan 0.000 0.486 451 G N 3.938 112.558 108.800 -0.300 0.000 2.494 451 G HA2 0.022 3.982 3.960 -0.000 0.000 0.216 451 G HA3 0.022 3.982 3.960 -0.000 0.000 0.216 451 G C 0.692 175.633 174.900 0.068 0.000 1.140 451 G CA 0.664 45.555 45.100 -0.347 0.000 0.801 451 G HN 0.682 nan 8.290 nan 0.000 0.536 452 V N -0.252 119.755 119.914 0.155 0.000 2.686 452 V HA 0.601 4.721 4.120 -0.000 0.000 0.295 452 V C -0.268 176.017 176.094 0.319 0.000 1.055 452 V CA -1.174 61.354 62.300 0.381 0.000 1.050 452 V CB 1.462 33.487 31.823 0.335 0.000 0.984 452 V HN -0.046 nan 8.190 nan 0.000 0.482 453 V N 5.521 125.606 119.914 0.284 0.000 2.376 453 V HA 0.445 4.565 4.120 -0.000 0.000 0.287 453 V C 0.148 176.481 176.094 0.399 0.000 1.015 453 V CA -0.552 61.893 62.300 0.242 0.000 0.834 453 V CB 1.267 33.100 31.823 0.016 0.000 1.001 453 V HN 0.872 nan 8.190 nan 0.000 0.428 454 M N 4.530 124.353 119.600 0.373 0.000 2.274 454 M HA 0.523 5.003 4.480 -0.000 0.000 0.344 454 M C -0.089 176.370 176.300 0.265 0.000 1.161 454 M CA -0.217 55.252 55.300 0.282 0.000 1.126 454 M CB 1.641 34.338 32.600 0.162 0.000 1.522 454 M HN 0.481 nan 8.290 nan 0.000 0.461 455 L N 0.000 121.325 121.223 0.169 0.000 2.949 455 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 455 L CA 0.000 54.929 54.840 0.148 0.000 0.813 455 L CB 0.000 42.111 42.059 0.086 0.000 0.961 455 L HN 0.000 nan 8.230 nan 0.000 0.502