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 2h3p_1_A DATA FIRST_RESID 27 DATA SEQUENCE SHMAHQDALP RLPVPPLQQS LDYYLKALQP IVSEEEWAHT KQLVDEFQTS DATA SEQUENCE GGVGERLQKG LERRAKKMEN WLSEWWLKTA YLQFRQPVVI YSSPGVILPK DATA SEQUENCE QDFVDLQGQL RFAAKLIEGV LDFKSMIDNE TLPVEFLGGQ PLCMNQYYQI DATA SEQUENCE LSSCRVPGPK QDSVVNFLKS KRPPTHITVV HNYQFFELDV YHSDGTPLTS DATA SEQUENCE DQIFVQLEKI WNSSLQSNKE PVGILTSNHR NTWAKAYNNL IKDKVNRESV DATA SEQUENCE NSIQKSIFTV CLDKQVPRVS DDVYRNHVAG QMLHGGGSKF NSGNRWFDKT DATA SEQUENCE LQFIVAEDGS CGMVYEHAAA EGPPIVALVD HVMEYTKKPE LVRSPMVPLP DATA SEQUENCE MPKKLRFNIT PEIKNDIEKA KQNLSIMIQD LDIMMLTFHH FGKDFPKSEK DATA SEQUENCE LSPDAFIQVA LQLAYYRIYG QACATYESAS LRMFHLGRTD TIRSASIDSL DATA SEQUENCE AFVKGMGDST VPEQQKVELL RKAVQAHRAY TDRAIRGEAF DRHLLGLKLQ DATA SEQUENCE AIEDLVSMPD IFMDTSYAIA MHFNLSTSQV PAKTDCVMFF GPVVPDGYGI DATA SEQUENCE CYNPMEAHIN FSVSAYNSCA ETNAARMAHY LEKALLDMRT LLQNHPRAK 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.419 174.600 -0.302 0.000 1.055 27 S CA 0.000 57.747 58.200 -0.755 0.000 1.107 27 S CB 0.000 63.194 63.200 -0.010 0.000 0.593 28 H N 1.060 120.020 119.070 -0.183 0.000 3.145 28 H HA 0.131 4.689 4.556 0.003 0.000 0.288 28 H C 1.636 176.948 175.328 -0.026 0.000 0.969 28 H CA 0.516 56.520 56.048 -0.072 0.000 1.444 28 H CB 0.280 30.039 29.762 -0.005 0.000 1.500 28 H HN 0.584 nan 8.280 nan 0.000 0.552 29 M N 4.720 124.427 119.600 0.177 0.000 2.089 29 M HA -0.276 4.206 4.480 0.003 0.000 0.257 29 M C 2.240 178.481 176.300 -0.097 0.000 1.071 29 M CA 2.249 57.564 55.300 0.026 0.000 1.096 29 M CB -0.252 32.372 32.600 0.040 0.000 1.330 29 M HN 0.812 nan 8.290 nan 0.000 0.403 30 A N -0.826 121.841 122.820 -0.254 0.000 1.892 30 A HA -0.297 4.024 4.320 0.003 0.000 0.218 30 A C 1.819 179.247 177.584 -0.260 0.000 1.188 30 A CA 2.398 54.233 52.037 -0.336 0.000 0.631 30 A CB -1.311 17.361 19.000 -0.546 0.000 0.822 30 A HN 0.800 nan 8.150 nan 0.000 0.447 31 H N -0.545 118.303 119.070 -0.371 0.000 2.293 31 H HA -0.114 4.444 4.556 0.003 0.000 0.300 31 H C 2.192 177.447 175.328 -0.122 0.000 1.082 31 H CA 2.144 58.076 56.048 -0.194 0.000 1.308 31 H CB -0.114 29.578 29.762 -0.117 0.000 1.375 31 H HN 0.388 nan 8.280 nan 0.000 0.495 32 Q N 0.403 120.102 119.800 -0.168 0.000 2.135 32 Q HA -0.138 4.204 4.340 0.003 0.000 0.204 32 Q C 1.778 177.592 176.000 -0.311 0.000 0.981 32 Q CA 1.419 57.105 55.803 -0.194 0.000 0.856 32 Q CB -0.211 28.513 28.738 -0.023 0.000 0.902 32 Q HN 0.674 nan 8.270 nan 0.000 0.425 33 D N 0.259 120.505 120.400 -0.257 0.000 2.218 33 D HA -0.083 4.559 4.640 0.003 0.000 0.204 33 D C 1.457 177.640 176.300 -0.195 0.000 0.976 33 D CA 1.135 54.994 54.000 -0.235 0.000 0.853 33 D CB 0.126 40.828 40.800 -0.163 0.000 0.939 33 D HN 0.242 nan 8.370 nan 0.000 0.481 34 A N 0.213 122.911 122.820 -0.203 0.000 2.132 34 A HA 0.111 4.433 4.320 0.003 0.000 0.213 34 A C 1.214 178.702 177.584 -0.160 0.000 1.154 34 A CA -0.092 51.851 52.037 -0.157 0.000 0.753 34 A CB -0.076 18.840 19.000 -0.140 0.000 0.826 34 A HN 0.114 nan 8.150 nan 0.000 0.469 35 L N 2.097 123.190 121.223 -0.216 0.000 2.416 35 L HA 0.214 4.556 4.340 0.003 0.000 0.272 35 L C -1.863 174.983 176.870 -0.040 0.000 1.161 35 L CA -1.818 52.929 54.840 -0.155 0.000 0.845 35 L CB 0.527 42.486 42.059 -0.168 0.000 1.119 35 L HN 0.171 nan 8.230 nan 0.000 0.464 36 P HA 0.128 nan 4.420 nan 0.000 0.272 36 P C -0.849 176.622 177.300 0.285 0.000 1.230 36 P CA -0.520 62.672 63.100 0.153 0.000 0.788 36 P CB 0.759 32.586 31.700 0.212 0.000 0.949 37 R N 0.703 121.336 120.500 0.223 0.000 2.500 37 R HA 0.374 4.715 4.340 0.003 0.000 0.275 37 R C -0.258 176.083 176.300 0.068 0.000 1.051 37 R CA -1.161 55.048 56.100 0.181 0.000 1.088 37 R CB -0.504 29.861 30.300 0.108 0.000 1.063 37 R HN 0.406 nan 8.270 nan 0.000 0.511 38 L N 5.669 126.855 121.223 -0.062 0.000 2.615 38 L HA 0.143 4.485 4.340 0.003 0.000 0.271 38 L C -1.922 174.864 176.870 -0.139 0.000 1.183 38 L CA -0.532 54.069 54.840 -0.397 0.000 0.933 38 L CB 0.088 41.929 42.059 -0.363 0.000 1.199 38 L HN 0.566 nan 8.230 nan 0.000 0.487 39 P HA 0.188 nan 4.420 nan 0.000 0.279 39 P C -1.326 176.018 177.300 0.074 0.000 1.276 39 P CA -0.454 62.598 63.100 -0.081 0.000 0.801 39 P CB 1.251 32.855 31.700 -0.159 0.000 1.127 40 V N 1.608 121.450 119.914 -0.121 0.000 2.350 40 V HA 0.276 4.397 4.120 0.003 0.000 0.285 40 V C -2.093 173.813 176.094 -0.314 0.000 1.014 40 V CA -1.767 60.321 62.300 -0.353 0.000 0.831 40 V CB 0.768 32.246 31.823 -0.575 0.000 1.000 40 V HN 0.542 nan 8.190 nan 0.000 0.433 41 P HA 0.204 nan 4.420 nan 0.000 0.269 41 P C -2.665 174.577 177.300 -0.097 0.000 1.217 41 P CA -1.037 61.978 63.100 -0.140 0.000 0.783 41 P CB -0.120 31.601 31.700 0.034 0.000 0.898 42 P HA 0.009 nan 4.420 nan 0.000 0.268 42 P C 0.689 178.095 177.300 0.177 0.000 1.204 42 P CA -0.140 62.996 63.100 0.060 0.000 0.768 42 P CB 0.357 32.074 31.700 0.028 0.000 0.842 43 L N 4.333 125.652 121.223 0.160 0.000 1.989 43 L HA -0.237 4.105 4.340 0.003 0.000 0.211 43 L C 1.989 178.889 176.870 0.049 0.000 1.071 43 L CA 2.007 56.934 54.840 0.144 0.000 0.749 43 L CB -1.170 40.912 42.059 0.039 0.000 0.890 43 L HN 0.376 nan 8.230 nan 0.000 0.431 44 Q N -0.971 118.832 119.800 0.005 0.000 2.167 44 Q HA -0.267 4.075 4.340 0.003 0.000 0.202 44 Q C 2.149 178.107 176.000 -0.069 0.000 0.970 44 Q CA 1.656 57.440 55.803 -0.033 0.000 0.855 44 Q CB -0.262 28.450 28.738 -0.043 0.000 0.911 44 Q HN 0.729 nan 8.270 nan 0.000 0.438 45 Q N 0.578 120.341 119.800 -0.062 0.000 2.046 45 Q HA -0.124 4.218 4.340 0.003 0.000 0.200 45 Q C 1.952 177.845 176.000 -0.179 0.000 0.975 45 Q CA 1.498 57.196 55.803 -0.175 0.000 0.836 45 Q CB 0.098 28.781 28.738 -0.092 0.000 0.896 45 Q HN 0.195 nan 8.270 nan 0.000 0.428 46 S N 0.804 116.545 115.700 0.069 0.000 2.402 46 S HA -0.062 4.410 4.470 0.003 0.000 0.229 46 S C 1.875 176.464 174.600 -0.018 0.000 1.021 46 S CA 0.893 59.211 58.200 0.197 0.000 0.974 46 S CB -0.141 63.264 63.200 0.343 0.000 0.800 46 S HN 0.356 nan 8.310 nan 0.000 0.484 47 L N 1.019 122.205 121.223 -0.062 0.000 2.093 47 L HA -0.111 4.231 4.340 0.003 0.000 0.208 47 L C 2.346 179.173 176.870 -0.073 0.000 1.085 47 L CA 1.299 56.096 54.840 -0.071 0.000 0.755 47 L CB -0.563 41.471 42.059 -0.042 0.000 0.904 47 L HN 0.263 nan 8.230 nan 0.000 0.435 48 D N -0.537 119.792 120.400 -0.119 0.000 2.097 48 D HA -0.237 4.405 4.640 0.003 0.000 0.195 48 D C 2.069 178.345 176.300 -0.041 0.000 0.989 48 D CA 1.489 55.417 54.000 -0.120 0.000 0.827 48 D CB -0.014 40.648 40.800 -0.230 0.000 0.966 48 D HN 0.175 nan 8.370 nan 0.000 0.456 49 Y N -0.688 119.590 120.300 -0.036 0.000 2.293 49 Y HA -0.096 4.456 4.550 0.003 0.000 0.291 49 Y C 2.040 177.821 175.900 -0.197 0.000 1.137 49 Y CA 0.670 58.760 58.100 -0.016 0.000 1.202 49 Y CB -1.147 37.390 38.460 0.128 0.000 0.990 49 Y HN 0.177 nan 8.280 nan 0.000 0.537 50 Y N 0.184 120.109 120.300 -0.624 0.000 2.163 50 Y HA -0.190 4.361 4.550 0.003 0.000 0.288 50 Y C 2.023 177.788 175.900 -0.225 0.000 1.136 50 Y CA 1.285 58.828 58.100 -0.928 0.000 1.147 50 Y CB -0.730 37.204 38.460 -0.877 0.000 0.987 50 Y HN 0.038 nan 8.280 nan 0.000 0.509 51 L N 0.041 121.108 121.223 -0.261 0.000 2.046 51 L HA -0.241 4.101 4.340 0.003 0.000 0.208 51 L C 2.430 179.454 176.870 0.257 0.000 1.077 51 L CA 1.795 56.546 54.840 -0.149 0.000 0.747 51 L CB -0.533 41.481 42.059 -0.076 0.000 0.896 51 L HN 0.126 nan 8.230 nan 0.000 0.432 52 K N 0.003 120.531 120.400 0.212 0.000 2.097 52 K HA -0.094 4.228 4.320 0.003 0.000 0.205 52 K C 2.147 178.879 176.600 0.221 0.000 1.050 52 K CA 1.262 57.690 56.287 0.235 0.000 0.938 52 K CB -0.202 32.439 32.500 0.236 0.000 0.718 52 K HN 0.273 nan 8.250 nan 0.000 0.442 53 A N 0.798 123.765 122.820 0.246 0.000 2.066 53 A HA -0.020 4.301 4.320 0.003 0.000 0.218 53 A C 1.927 179.638 177.584 0.211 0.000 1.157 53 A CA 0.885 53.109 52.037 0.311 0.000 0.670 53 A CB -0.318 19.021 19.000 0.566 0.000 0.804 53 A HN 0.136 nan 8.150 nan 0.000 0.453 54 L N -1.367 119.929 121.223 0.121 0.000 2.209 54 L HA -0.131 4.211 4.340 0.003 0.000 0.207 54 L C 2.694 179.682 176.870 0.197 0.000 1.094 54 L CA 1.118 56.019 54.840 0.102 0.000 0.790 54 L CB -0.476 41.546 42.059 -0.061 0.000 0.932 54 L HN 0.524 nan 8.230 nan 0.000 0.447 55 Q N 0.804 120.726 119.800 0.203 0.000 2.082 55 Q HA -0.227 4.115 4.340 0.003 0.000 0.211 55 Q C -0.681 175.327 176.000 0.013 0.000 1.002 55 Q CA 2.474 58.270 55.803 -0.011 0.000 0.868 55 Q CB -0.731 27.902 28.738 -0.176 0.000 0.931 55 Q HN 0.336 nan 8.270 nan 0.000 0.414 56 P HA -0.074 nan 4.420 nan 0.000 0.233 56 P C 0.903 178.255 177.300 0.087 0.000 1.167 56 P CA 1.111 64.247 63.100 0.060 0.000 0.770 56 P CB -0.156 31.586 31.700 0.071 0.000 0.837 57 I N -3.371 117.257 120.570 0.097 0.000 4.154 57 I HA 0.221 4.393 4.170 0.003 0.000 0.334 57 I C 0.407 176.577 176.117 0.088 0.000 1.371 57 I CA -0.515 60.842 61.300 0.096 0.000 1.110 57 I CB 0.746 38.801 38.000 0.092 0.000 1.085 57 I HN -0.300 nan 8.210 nan 0.000 0.398 58 V N -0.990 118.984 119.914 0.100 0.000 3.102 58 V HA 0.728 4.850 4.120 0.003 0.000 0.312 58 V C 0.318 176.475 176.094 0.106 0.000 1.135 58 V CA -0.275 62.088 62.300 0.105 0.000 1.022 58 V CB 1.413 33.314 31.823 0.131 0.000 1.056 58 V HN 0.299 nan 8.190 nan 0.000 0.436 59 S N 0.517 116.277 115.700 0.100 0.000 2.624 59 S HA 0.310 4.782 4.470 0.003 0.000 0.263 59 S C 0.744 175.418 174.600 0.123 0.000 1.287 59 S CA 0.432 58.684 58.200 0.087 0.000 0.990 59 S CB 0.753 63.994 63.200 0.070 0.000 0.950 59 S HN 0.863 nan 8.310 nan 0.000 0.561 60 E N 0.787 121.039 120.200 0.087 0.000 2.110 60 E HA -0.165 4.187 4.350 0.003 0.000 0.193 60 E C 1.796 178.496 176.600 0.167 0.000 0.988 60 E CA 1.542 58.005 56.400 0.106 0.000 0.804 60 E CB -0.207 29.520 29.700 0.045 0.000 0.745 60 E HN 0.742 nan 8.360 nan 0.000 0.458 61 E N 1.276 121.546 120.200 0.117 0.000 2.051 61 E HA -0.181 4.171 4.350 0.003 0.000 0.192 61 E C 1.856 178.540 176.600 0.140 0.000 0.991 61 E CA 1.262 57.725 56.400 0.105 0.000 0.799 61 E CB -0.115 29.619 29.700 0.057 0.000 0.748 61 E HN 0.328 nan 8.360 nan 0.000 0.449 62 E N -0.544 119.743 120.200 0.145 0.000 2.106 62 E HA -0.169 4.183 4.350 0.003 0.000 0.192 62 E C 1.795 178.494 176.600 0.165 0.000 0.984 62 E CA 0.810 57.304 56.400 0.157 0.000 0.806 62 E CB -0.263 29.512 29.700 0.124 0.000 0.750 62 E HN 0.334 nan 8.360 nan 0.000 0.458 63 W N 1.505 122.816 121.300 0.018 0.000 2.381 63 W HA -0.119 4.543 4.660 0.003 0.000 0.301 63 W C 2.397 178.913 176.519 -0.004 0.000 1.205 63 W CA 1.846 59.180 57.345 -0.019 0.000 1.285 63 W CB -0.118 29.326 29.460 -0.027 0.000 1.133 63 W HN 0.026 nan 8.180 nan 0.000 0.521 64 A N -0.975 122.054 122.820 0.348 0.000 1.933 64 A HA -0.283 4.039 4.320 0.003 0.000 0.218 64 A C 1.982 179.602 177.584 0.061 0.000 1.175 64 A CA 1.947 54.121 52.037 0.228 0.000 0.628 64 A CB -1.434 17.702 19.000 0.227 0.000 0.814 64 A HN 0.652 nan 8.150 nan 0.000 0.444 65 H N -0.580 118.469 119.070 -0.036 0.000 2.299 65 H HA -0.106 4.452 4.556 0.003 0.000 0.302 65 H C 2.095 177.335 175.328 -0.146 0.000 1.078 65 H CA 1.735 57.742 56.048 -0.069 0.000 1.323 65 H CB 0.090 29.829 29.762 -0.037 0.000 1.381 65 H HN 0.440 nan 8.280 nan 0.000 0.498 66 T N 0.842 115.214 114.554 -0.303 0.000 2.759 66 T HA -0.163 4.189 4.350 0.003 0.000 0.269 66 T C 1.941 176.358 174.700 -0.472 0.000 1.042 66 T CA 1.666 63.505 62.100 -0.435 0.000 1.140 66 T CB -0.201 68.427 68.868 -0.401 0.000 0.864 66 T HN 0.201 nan 8.240 nan 0.000 0.455 67 K N 1.491 121.532 120.400 -0.599 0.000 2.103 67 K HA -0.121 4.200 4.320 0.003 0.000 0.207 67 K C 2.297 178.714 176.600 -0.304 0.000 1.048 67 K CA 1.524 57.453 56.287 -0.596 0.000 0.930 67 K CB -0.306 31.751 32.500 -0.738 0.000 0.716 67 K HN 0.453 nan 8.250 nan 0.000 0.444 68 Q N -0.138 119.532 119.800 -0.217 0.000 2.083 68 Q HA -0.057 4.285 4.340 0.003 0.000 0.198 68 Q C 2.208 178.121 176.000 -0.145 0.000 0.969 68 Q CA 1.409 57.136 55.803 -0.126 0.000 0.838 68 Q CB -0.158 28.551 28.738 -0.049 0.000 0.900 68 Q HN 0.297 nan 8.270 nan 0.000 0.436 69 L N 0.286 121.372 121.223 -0.229 0.000 2.042 69 L HA -0.197 4.145 4.340 0.003 0.000 0.210 69 L C 2.442 179.212 176.870 -0.167 0.000 1.076 69 L CA 0.900 55.602 54.840 -0.230 0.000 0.749 69 L CB -0.698 41.141 42.059 -0.367 0.000 0.893 69 L HN 0.086 nan 8.230 nan 0.000 0.432 70 V N -0.126 119.670 119.914 -0.196 0.000 2.295 70 V HA -0.300 3.821 4.120 0.003 0.000 0.246 70 V C 2.227 178.302 176.094 -0.032 0.000 1.049 70 V CA 1.971 64.200 62.300 -0.117 0.000 1.024 70 V CB -0.555 31.174 31.823 -0.157 0.000 0.648 70 V HN 0.452 nan 8.190 nan 0.000 0.447 71 D N -0.259 120.097 120.400 -0.073 0.000 2.116 71 D HA -0.232 4.409 4.640 0.003 0.000 0.193 71 D C 2.156 178.438 176.300 -0.030 0.000 0.998 71 D CA 1.916 55.886 54.000 -0.049 0.000 0.836 71 D CB -0.136 40.631 40.800 -0.056 0.000 0.951 71 D HN 0.601 nan 8.370 nan 0.000 0.449 72 E N 0.241 120.426 120.200 -0.025 0.000 2.051 72 E HA -0.187 4.165 4.350 0.003 0.000 0.192 72 E C 1.995 178.595 176.600 0.001 0.000 0.991 72 E CA 0.725 57.115 56.400 -0.017 0.000 0.799 72 E CB -0.583 29.107 29.700 -0.017 0.000 0.748 72 E HN 0.192 nan 8.360 nan 0.000 0.449 73 F N 1.581 121.442 119.950 -0.148 0.000 2.192 73 F HA -0.197 4.332 4.527 0.003 0.000 0.301 73 F C 2.126 177.843 175.800 -0.139 0.000 1.079 73 F CA 2.227 60.126 58.000 -0.169 0.000 1.303 73 F CB -0.160 38.694 39.000 -0.243 0.000 1.024 73 F HN 0.281 nan 8.300 nan 0.000 0.494 74 Q N -0.988 118.758 119.800 -0.091 0.000 2.282 74 Q HA 0.124 4.465 4.340 0.003 0.000 0.206 74 Q C 0.927 176.847 176.000 -0.133 0.000 0.878 74 Q CA 0.238 55.946 55.803 -0.159 0.000 0.944 74 Q CB -0.410 28.293 28.738 -0.058 0.000 1.100 74 Q HN 0.214 nan 8.270 nan 0.000 0.509 75 T N 1.182 115.669 114.554 -0.110 0.000 2.855 75 T HA 0.059 4.411 4.350 0.003 0.000 0.314 75 T C -0.003 174.638 174.700 -0.098 0.000 1.077 75 T CA -0.028 62.020 62.100 -0.086 0.000 1.095 75 T CB 0.651 69.478 68.868 -0.067 0.000 0.987 75 T HN 0.373 nan 8.240 nan 0.000 0.546 76 S N 1.951 117.607 115.700 -0.074 0.000 2.549 76 S HA 0.387 4.858 4.470 0.003 0.000 0.286 76 S C 1.480 176.036 174.600 -0.073 0.000 1.314 76 S CA 0.307 58.465 58.200 -0.070 0.000 1.062 76 S CB 0.341 63.510 63.200 -0.052 0.000 0.865 76 S HN 1.327 nan 8.310 nan 0.000 0.498 77 G N 2.277 111.030 108.800 -0.078 0.000 2.168 77 G HA2 -0.195 3.767 3.960 0.003 0.000 0.257 77 G HA3 -0.195 3.767 3.960 0.003 0.000 0.257 77 G C 0.413 175.260 174.900 -0.088 0.000 0.997 77 G CA 0.080 45.137 45.100 -0.073 0.000 0.708 77 G HN 1.082 nan 8.290 nan 0.000 0.520 78 G N -1.658 107.069 108.800 -0.122 0.000 2.532 78 G HA2 0.571 4.533 3.960 0.003 0.000 0.291 78 G HA3 0.571 4.533 3.960 0.003 0.000 0.291 78 G C 1.201 175.984 174.900 -0.195 0.000 1.349 78 G CA 0.303 45.315 45.100 -0.147 0.000 1.038 78 G HN 0.626 nan 8.290 nan 0.000 0.518 79 V N 0.891 120.669 119.914 -0.226 0.000 2.270 79 V HA -0.062 4.059 4.120 0.003 0.000 0.245 79 V C 3.129 178.944 176.094 -0.465 0.000 1.043 79 V CA 2.423 64.579 62.300 -0.239 0.000 1.014 79 V CB -1.154 30.599 31.823 -0.115 0.000 0.645 79 V HN 0.815 nan 8.190 nan 0.000 0.447 80 G N -0.654 107.520 108.800 -1.044 0.000 2.440 80 G HA2 -0.326 3.636 3.960 0.003 0.000 0.218 80 G HA3 -0.326 3.636 3.960 0.003 0.000 0.218 80 G C 1.536 176.090 174.900 -0.576 0.000 1.154 80 G CA 1.080 45.307 45.100 -1.454 0.000 0.767 80 G HN 0.585 nan 8.290 nan 0.000 0.552 81 E N 0.126 120.082 120.200 -0.406 0.000 2.077 81 E HA -0.124 4.228 4.350 0.003 0.000 0.193 81 E C 2.648 179.154 176.600 -0.156 0.000 0.989 81 E CA 0.634 56.901 56.400 -0.222 0.000 0.800 81 E CB -0.089 29.507 29.700 -0.173 0.000 0.746 81 E HN 0.380 nan 8.360 nan 0.000 0.452 82 R N -0.058 120.350 120.500 -0.154 0.000 2.092 82 R HA -0.083 4.258 4.340 0.003 0.000 0.231 82 R C 2.535 178.798 176.300 -0.063 0.000 1.119 82 R CA 1.055 57.100 56.100 -0.092 0.000 0.970 82 R CB -0.175 30.079 30.300 -0.076 0.000 0.864 82 R HN 0.282 nan 8.270 nan 0.000 0.440 83 L N 0.174 121.353 121.223 -0.074 0.000 2.056 83 L HA -0.171 4.171 4.340 0.003 0.000 0.207 83 L C 2.643 179.515 176.870 0.003 0.000 1.078 83 L CA 1.059 55.899 54.840 0.000 0.000 0.749 83 L CB -0.399 41.693 42.059 0.054 0.000 0.901 83 L HN 0.129 nan 8.230 nan 0.000 0.433 84 Q N 0.596 120.376 119.800 -0.033 0.000 2.084 84 Q HA -0.202 4.140 4.340 0.003 0.000 0.202 84 Q C 2.175 178.141 176.000 -0.057 0.000 0.978 84 Q CA 1.612 57.404 55.803 -0.018 0.000 0.844 84 Q CB 0.033 28.757 28.738 -0.024 0.000 0.898 84 Q HN 0.159 nan 8.270 nan 0.000 0.426 85 K N -0.447 119.918 120.400 -0.058 0.000 2.063 85 K HA -0.089 4.233 4.320 0.003 0.000 0.208 85 K C 2.055 178.624 176.600 -0.052 0.000 1.048 85 K CA 1.353 57.606 56.287 -0.057 0.000 0.928 85 K CB -0.889 31.581 32.500 -0.050 0.000 0.713 85 K HN 0.438 nan 8.250 nan 0.000 0.442 86 G N 1.535 110.318 108.800 -0.028 0.000 2.418 86 G HA2 -0.204 3.758 3.960 0.003 0.000 0.217 86 G HA3 -0.204 3.758 3.960 0.003 0.000 0.217 86 G C 1.715 176.598 174.900 -0.028 0.000 1.158 86 G CA 0.422 45.520 45.100 -0.005 0.000 0.771 86 G HN 0.142 nan 8.290 nan 0.000 0.545 87 L N 0.208 121.395 121.223 -0.061 0.000 2.046 87 L HA -0.090 4.252 4.340 0.003 0.000 0.208 87 L C 2.926 179.625 176.870 -0.285 0.000 1.077 87 L CA 1.395 56.117 54.840 -0.198 0.000 0.747 87 L CB -0.457 41.399 42.059 -0.338 0.000 0.896 87 L HN 0.335 nan 8.230 nan 0.000 0.432 88 E N -0.234 119.834 120.200 -0.219 0.000 2.153 88 E HA -0.198 4.154 4.350 0.003 0.000 0.194 88 E C 2.297 178.828 176.600 -0.114 0.000 0.988 88 E CA 0.768 57.058 56.400 -0.183 0.000 0.811 88 E CB -0.034 29.586 29.700 -0.134 0.000 0.746 88 E HN 0.458 nan 8.360 nan 0.000 0.466 89 R N 0.554 121.004 120.500 -0.083 0.000 2.090 89 R HA -0.024 4.317 4.340 0.003 0.000 0.228 89 R C 2.430 178.701 176.300 -0.048 0.000 1.110 89 R CA 0.708 56.776 56.100 -0.052 0.000 0.973 89 R CB -0.200 30.079 30.300 -0.035 0.000 0.869 89 R HN 0.046 nan 8.270 nan 0.000 0.440 90 R N 0.852 121.314 120.500 -0.064 0.000 2.096 90 R HA -0.091 4.251 4.340 0.003 0.000 0.235 90 R C 2.034 178.332 176.300 -0.003 0.000 1.127 90 R CA 1.450 57.516 56.100 -0.058 0.000 0.968 90 R CB -0.135 30.106 30.300 -0.098 0.000 0.861 90 R HN 0.196 nan 8.270 nan 0.000 0.440 91 A N 0.880 123.695 122.820 -0.007 0.000 1.969 91 A HA -0.096 4.226 4.320 0.003 0.000 0.218 91 A C 1.726 179.334 177.584 0.039 0.000 1.169 91 A CA 1.148 53.230 52.037 0.074 0.000 0.635 91 A CB -0.110 18.898 19.000 0.012 0.000 0.810 91 A HN 0.289 nan 8.150 nan 0.000 0.445 92 K N -0.310 120.089 120.400 -0.001 0.000 2.459 92 K HA -0.021 4.301 4.320 0.003 0.000 0.193 92 K C 1.022 177.621 176.600 -0.001 0.000 1.030 92 K CA 1.152 57.438 56.287 -0.002 0.000 1.026 92 K CB 0.077 32.568 32.500 -0.015 0.000 0.809 92 K HN 0.699 nan 8.250 nan 0.000 0.504 93 K N -0.182 120.216 120.400 -0.003 0.000 2.438 93 K HA 0.263 4.585 4.320 0.003 0.000 0.205 93 K C 0.025 176.621 176.600 -0.006 0.000 1.033 93 K CA -0.101 56.181 56.287 -0.007 0.000 1.089 93 K CB 0.518 33.008 32.500 -0.017 0.000 0.857 93 K HN -0.087 nan 8.250 nan 0.000 0.522 94 M N 0.490 120.095 119.600 0.008 0.000 2.569 94 M HA 0.251 4.733 4.480 0.003 0.000 0.279 94 M C -0.126 176.199 176.300 0.042 0.000 1.253 94 M CA -0.623 54.682 55.300 0.009 0.000 0.867 94 M CB 2.495 35.084 32.600 -0.018 0.000 1.727 94 M HN -0.065 nan 8.290 nan 0.000 0.467 95 E N 0.925 121.158 120.200 0.055 0.000 2.106 95 E HA -0.070 4.282 4.350 0.003 0.000 0.192 95 E C 0.304 176.969 176.600 0.108 0.000 0.984 95 E CA 0.903 57.384 56.400 0.135 0.000 0.806 95 E CB 0.223 30.052 29.700 0.215 0.000 0.750 95 E HN 0.395 nan 8.360 nan 0.000 0.458 96 N N -0.338 118.365 118.700 0.003 0.000 2.519 96 N HA -0.016 4.726 4.740 0.003 0.000 0.291 96 N C -0.082 175.354 175.510 -0.124 0.000 1.107 96 N CA -0.488 52.506 53.050 -0.093 0.000 0.904 96 N CB 0.705 39.084 38.487 -0.181 0.000 1.500 96 N HN 0.183 nan 8.380 nan 0.000 0.510 97 W N 3.970 125.210 121.300 -0.099 0.000 2.465 97 W HA -0.039 4.623 4.660 0.003 0.000 0.268 97 W C 0.513 176.945 176.519 -0.146 0.000 1.242 97 W CA 0.207 57.453 57.345 -0.165 0.000 1.248 97 W CB -0.209 29.173 29.460 -0.130 0.000 1.118 97 W HN 0.424 nan 8.180 nan 0.000 0.587 98 L N 1.556 122.294 121.223 -0.808 0.000 2.357 98 L HA 0.104 4.446 4.340 0.003 0.000 0.211 98 L C 2.627 179.413 176.870 -0.140 0.000 1.075 98 L CA 1.491 55.969 54.840 -0.604 0.000 0.830 98 L CB -0.697 40.654 42.059 -1.180 0.000 0.996 98 L HN -0.192 nan 8.230 nan 0.000 0.467 99 S N 0.271 115.861 115.700 -0.182 0.000 2.435 99 S HA -0.405 4.067 4.470 0.003 0.000 0.250 99 S C 1.865 176.519 174.600 0.090 0.000 1.065 99 S CA 2.399 60.579 58.200 -0.033 0.000 1.243 99 S CB -0.529 62.620 63.200 -0.084 0.000 1.158 99 S HN 0.676 nan 8.310 nan 0.000 0.430 100 E N -0.710 119.513 120.200 0.038 0.000 2.077 100 E HA -0.177 4.175 4.350 0.003 0.000 0.193 100 E C 1.974 178.711 176.600 0.229 0.000 0.989 100 E CA 1.173 57.623 56.400 0.084 0.000 0.800 100 E CB -0.154 29.546 29.700 0.001 0.000 0.746 100 E HN 0.586 nan 8.360 nan 0.000 0.452 101 W N 0.818 122.170 121.300 0.088 0.000 2.335 101 W HA -0.199 4.463 4.660 0.003 0.000 0.311 101 W C 2.229 178.827 176.519 0.131 0.000 1.213 101 W CA 0.656 58.065 57.345 0.106 0.000 1.274 101 W CB -1.416 28.132 29.460 0.145 0.000 1.148 101 W HN 0.381 nan 8.180 nan 0.000 0.498 102 W N 0.456 121.868 121.300 0.186 0.000 2.355 102 W HA -0.241 4.421 4.660 0.003 0.000 0.309 102 W C 2.182 178.740 176.519 0.066 0.000 1.206 102 W CA 1.315 58.697 57.345 0.062 0.000 1.284 102 W CB -0.740 28.729 29.460 0.016 0.000 1.145 102 W HN -0.188 nan 8.180 nan 0.000 0.502 103 L N 2.080 123.393 121.223 0.151 0.000 2.043 103 L HA -0.233 4.109 4.340 0.003 0.000 0.212 103 L C 2.518 179.398 176.870 0.017 0.000 1.075 103 L CA 2.455 57.353 54.840 0.097 0.000 0.752 103 L CB -1.113 41.027 42.059 0.136 0.000 0.891 103 L HN -0.089 nan 8.230 nan 0.000 0.432 104 K N -1.263 119.156 120.400 0.031 0.000 1.991 104 K HA -0.147 4.175 4.320 0.003 0.000 0.207 104 K C 2.048 178.595 176.600 -0.088 0.000 1.045 104 K CA 1.833 58.128 56.287 0.014 0.000 0.937 104 K CB -0.280 32.272 32.500 0.086 0.000 0.720 104 K HN 0.601 nan 8.250 nan 0.000 0.438 105 T N -1.498 112.970 114.554 -0.142 0.000 2.867 105 T HA 0.010 4.362 4.350 0.003 0.000 0.268 105 T C 1.952 176.362 174.700 -0.483 0.000 1.057 105 T CA 0.988 62.946 62.100 -0.237 0.000 1.136 105 T CB -0.156 68.599 68.868 -0.190 0.000 0.874 105 T HN 0.228 nan 8.240 nan 0.000 0.466 106 A N -0.257 122.056 122.820 -0.846 0.000 1.930 106 A HA 0.292 4.614 4.320 0.003 0.000 0.215 106 A C 1.725 178.528 177.584 -1.301 0.000 1.176 106 A CA 0.742 51.921 52.037 -1.429 0.000 0.632 106 A CB -0.396 17.086 19.000 -2.529 0.000 0.819 106 A HN 0.667 nan 8.150 nan 0.000 0.445 107 Y N -1.783 118.297 120.300 -0.366 0.000 3.011 107 Y HA 0.290 4.842 4.550 0.003 0.000 0.231 107 Y C 1.935 177.819 175.900 -0.028 0.000 0.983 107 Y CA -0.228 57.785 58.100 -0.145 0.000 1.429 107 Y CB -0.140 38.232 38.460 -0.148 0.000 1.491 107 Y HN -0.013 nan 8.280 nan 0.000 0.444 108 L N 0.506 121.798 121.223 0.114 0.000 2.127 108 L HA -0.249 4.093 4.340 0.003 0.000 0.211 108 L C 1.400 178.293 176.870 0.039 0.000 1.089 108 L CA 1.749 56.630 54.840 0.069 0.000 0.757 108 L CB -0.427 41.663 42.059 0.053 0.000 0.899 108 L HN 0.421 nan 8.230 nan 0.000 0.434 109 Q N -1.256 118.557 119.800 0.021 0.000 2.282 109 Q HA 0.075 4.417 4.340 0.003 0.000 0.206 109 Q C -0.167 175.872 176.000 0.065 0.000 0.878 109 Q CA -0.350 55.464 55.803 0.019 0.000 0.944 109 Q CB 0.530 29.264 28.738 -0.007 0.000 1.100 109 Q HN 0.169 nan 8.270 nan 0.000 0.509 110 F N 1.829 121.700 119.950 -0.131 0.000 2.434 110 F HA 0.169 4.698 4.527 0.003 0.000 0.358 110 F C 0.658 176.376 175.800 -0.137 0.000 1.136 110 F CA -0.655 57.254 58.000 -0.151 0.000 1.157 110 F CB 0.518 39.405 39.000 -0.188 0.000 1.167 110 F HN -0.142 nan 8.300 nan 0.000 0.539 111 R N 2.259 122.573 120.500 -0.311 0.000 2.275 111 R HA 0.053 4.395 4.340 0.003 0.000 0.199 111 R C 0.625 176.339 176.300 -0.976 0.000 0.989 111 R CA 0.242 56.053 56.100 -0.482 0.000 1.016 111 R CB -0.425 29.769 30.300 -0.176 0.000 0.918 111 R HN 0.588 nan 8.270 nan 0.000 0.473 112 Q N 1.229 120.341 119.800 -1.147 0.000 2.454 112 Q HA 0.166 4.508 4.340 0.003 0.000 0.247 112 Q C -2.122 173.472 176.000 -0.677 0.000 1.028 112 Q CA -1.862 53.366 55.803 -0.960 0.000 0.910 112 Q CB -0.263 27.821 28.738 -1.090 0.000 1.276 112 Q HN -0.025 nan 8.270 nan 0.000 0.489 113 P HA -0.100 nan 4.420 nan 0.000 0.267 113 P C 0.901 178.149 177.300 -0.088 0.000 1.200 113 P CA 0.193 63.206 63.100 -0.144 0.000 0.772 113 P CB 0.430 32.105 31.700 -0.042 0.000 0.855 114 V N 1.475 121.321 119.914 -0.114 0.000 2.667 114 V HA -0.068 4.054 4.120 0.003 0.000 0.252 114 V C 0.848 176.883 176.094 -0.099 0.000 1.065 114 V CA 0.960 63.243 62.300 -0.028 0.000 1.083 114 V CB -0.853 30.974 31.823 0.007 0.000 0.692 114 V HN 0.148 nan 8.190 nan 0.000 0.468 115 V N 2.101 121.836 119.914 -0.298 0.000 2.599 115 V HA 0.153 4.274 4.120 0.003 0.000 0.300 115 V C 1.461 177.301 176.094 -0.423 0.000 1.034 115 V CA 1.116 63.137 62.300 -0.465 0.000 1.115 115 V CB 0.131 31.487 31.823 -0.780 0.000 0.934 115 V HN 0.647 nan 8.190 nan 0.000 0.485 116 I N 1.440 121.853 120.570 -0.263 0.000 4.270 116 I HA -0.451 3.721 4.170 0.003 0.000 0.084 116 I C 1.456 177.516 176.117 -0.094 0.000 0.554 116 I CA 2.102 63.267 61.300 -0.226 0.000 1.128 116 I CB -1.255 36.462 38.000 -0.473 0.000 1.004 116 I HN 0.669 nan 8.210 nan 0.000 0.177 117 Y N -0.312 120.077 120.300 0.149 0.000 2.516 117 Y HA -0.036 4.516 4.550 0.003 0.000 0.291 117 Y C 2.413 178.486 175.900 0.289 0.000 1.131 117 Y CA 1.084 59.330 58.100 0.243 0.000 1.281 117 Y CB 0.105 38.684 38.460 0.198 0.000 1.013 117 Y HN 0.374 nan 8.280 nan 0.000 0.554 118 S N -1.647 114.238 115.700 0.308 0.000 3.448 118 S HA 0.102 4.574 4.470 0.003 0.000 0.254 118 S C 0.522 175.218 174.600 0.160 0.000 1.102 118 S CA -0.256 58.118 58.200 0.290 0.000 0.797 118 S CB -0.451 62.969 63.200 0.366 0.000 0.891 118 S HN 0.039 nan 8.310 nan 0.000 0.474 119 S N 4.372 120.095 115.700 0.039 0.000 2.443 119 S HA 0.373 4.845 4.470 0.003 0.000 0.284 119 S C -2.638 171.845 174.600 -0.194 0.000 1.206 119 S CA -0.596 57.520 58.200 -0.139 0.000 1.074 119 S CB 0.832 64.008 63.200 -0.041 0.000 0.963 119 S HN 0.402 nan 8.310 nan 0.000 0.501 120 P HA 0.264 nan 4.420 nan 0.000 0.271 120 P C 0.187 177.321 177.300 -0.276 0.000 1.218 120 P CA -0.199 62.737 63.100 -0.273 0.000 0.780 120 P CB 0.539 32.042 31.700 -0.328 0.000 0.901 121 G N 0.620 109.199 108.800 -0.368 0.000 2.417 121 G HA2 0.589 4.551 3.960 0.003 0.000 0.334 121 G HA3 0.589 4.551 3.960 0.003 0.000 0.334 121 G C -1.380 172.855 174.900 -1.109 0.000 1.150 121 G CA -0.531 44.235 45.100 -0.557 0.000 0.923 121 G HN 0.358 nan 8.290 nan 0.000 0.485 122 V N 1.784 121.359 119.914 -0.565 0.000 2.760 122 V HA 0.441 4.563 4.120 0.003 0.000 0.309 122 V C -0.469 175.635 176.094 0.017 0.000 1.077 122 V CA -0.581 61.513 62.300 -0.344 0.000 0.910 122 V CB 1.903 33.642 31.823 -0.139 0.000 1.008 122 V HN 0.666 nan 8.190 nan 0.000 0.424 123 I N 5.196 125.874 120.570 0.180 0.000 2.355 123 I HA 0.448 4.620 4.170 0.003 0.000 0.288 123 I C -0.419 175.788 176.117 0.150 0.000 0.999 123 I CA -0.291 61.149 61.300 0.234 0.000 1.163 123 I CB 1.481 39.656 38.000 0.291 0.000 1.316 123 I HN 0.391 nan 8.210 nan 0.000 0.454 124 L N 7.256 128.561 121.223 0.136 0.000 2.400 124 L HA 0.518 4.860 4.340 0.003 0.000 0.264 124 L C -2.242 174.685 176.870 0.096 0.000 1.061 124 L CA -2.018 52.896 54.840 0.124 0.000 0.799 124 L CB 0.589 42.748 42.059 0.165 0.000 1.240 124 L HN 0.258 nan 8.230 nan 0.000 0.461 125 P HA -0.011 nan 4.420 nan 0.000 0.263 125 P C -0.819 176.473 177.300 -0.013 0.000 1.195 125 P CA -0.020 63.102 63.100 0.037 0.000 0.762 125 P CB 0.352 32.074 31.700 0.035 0.000 0.799 126 K N 3.695 124.080 120.400 -0.026 0.000 2.484 126 K HA -0.024 4.298 4.320 0.003 0.000 0.280 126 K C 0.283 176.769 176.600 -0.191 0.000 1.013 126 K CA -0.035 56.200 56.287 -0.086 0.000 1.029 126 K CB 0.326 32.800 32.500 -0.043 0.000 0.902 126 K HN 0.388 nan 8.250 nan 0.000 0.481 127 Q N 2.064 121.659 119.800 -0.342 0.000 2.256 127 Q HA 0.029 4.370 4.340 0.003 0.000 0.232 127 Q C 0.251 175.982 176.000 -0.449 0.000 0.965 127 Q CA -0.097 55.447 55.803 -0.432 0.000 0.908 127 Q CB 1.184 29.550 28.738 -0.620 0.000 1.209 127 Q HN 0.789 nan 8.270 nan 0.000 0.489 128 D N -1.198 119.029 120.400 -0.288 0.000 2.339 128 D HA -0.005 4.637 4.640 0.003 0.000 0.217 128 D C 0.299 176.492 176.300 -0.179 0.000 1.050 128 D CA -0.196 53.671 54.000 -0.221 0.000 0.856 128 D CB -0.500 40.238 40.800 -0.103 0.000 0.922 128 D HN 0.346 nan 8.370 nan 0.000 0.518 129 F N 0.586 120.496 119.950 -0.068 0.000 2.602 129 F HA 0.247 4.775 4.527 0.003 0.000 0.367 129 F C 1.116 176.901 175.800 -0.026 0.000 1.126 129 F CA -1.098 56.882 58.000 -0.033 0.000 1.321 129 F CB 0.558 39.554 39.000 -0.007 0.000 1.094 129 F HN -0.132 nan 8.300 nan 0.000 0.594 130 V N -1.401 118.621 119.914 0.179 0.000 3.477 130 V HA 0.334 4.456 4.120 0.003 0.000 0.297 130 V C -0.688 175.487 176.094 0.134 0.000 1.433 130 V CA 0.393 62.751 62.300 0.095 0.000 1.052 130 V CB -0.964 30.875 31.823 0.026 0.000 0.895 130 V HN 0.924 nan 8.190 nan 0.000 0.438 131 D N -1.601 118.907 120.400 0.179 0.000 2.626 131 D HA 0.305 4.947 4.640 0.003 0.000 0.278 131 D C 0.582 176.894 176.300 0.019 0.000 1.211 131 D CA -0.566 53.486 54.000 0.086 0.000 0.903 131 D CB 1.417 42.236 40.800 0.031 0.000 1.408 131 D HN -0.114 nan 8.370 nan 0.000 0.454 132 L N 0.069 121.230 121.223 -0.102 0.000 2.043 132 L HA -0.171 4.171 4.340 0.003 0.000 0.212 132 L C 2.187 178.888 176.870 -0.281 0.000 1.075 132 L CA 2.121 56.769 54.840 -0.320 0.000 0.752 132 L CB -0.836 40.934 42.059 -0.481 0.000 0.891 132 L HN 0.684 nan 8.230 nan 0.000 0.432 133 Q N -1.022 118.707 119.800 -0.118 0.000 2.135 133 Q HA -0.182 4.160 4.340 0.003 0.000 0.204 133 Q C 1.977 177.980 176.000 0.005 0.000 0.981 133 Q CA 1.646 57.472 55.803 0.039 0.000 0.856 133 Q CB -0.358 28.403 28.738 0.038 0.000 0.902 133 Q HN 0.686 nan 8.270 nan 0.000 0.425 134 G N 0.437 109.209 108.800 -0.047 0.000 2.394 134 G HA2 -0.313 3.649 3.960 0.003 0.000 0.215 134 G HA3 -0.313 3.649 3.960 0.003 0.000 0.215 134 G C 1.213 175.878 174.900 -0.392 0.000 1.165 134 G CA 0.740 45.822 45.100 -0.031 0.000 0.784 134 G HN 0.437 nan 8.290 nan 0.000 0.535 135 Q N -0.084 119.226 119.800 -0.818 0.000 2.030 135 Q HA -0.080 4.262 4.340 0.003 0.000 0.204 135 Q C 2.544 178.230 176.000 -0.523 0.000 0.986 135 Q CA 1.353 56.348 55.803 -1.347 0.000 0.843 135 Q CB -0.269 28.003 28.738 -0.777 0.000 0.904 135 Q HN 0.495 nan 8.270 nan 0.000 0.420 136 L N -0.121 120.931 121.223 -0.285 0.000 2.141 136 L HA -0.126 4.216 4.340 0.003 0.000 0.209 136 L C 2.653 179.597 176.870 0.123 0.000 1.094 136 L CA 0.817 55.606 54.840 -0.084 0.000 0.763 136 L CB -0.370 41.598 42.059 -0.152 0.000 0.908 136 L HN 0.153 nan 8.230 nan 0.000 0.437 137 R N 0.204 120.773 120.500 0.115 0.000 2.073 137 R HA -0.193 4.149 4.340 0.003 0.000 0.234 137 R C 2.154 178.499 176.300 0.075 0.000 1.134 137 R CA 1.703 57.837 56.100 0.057 0.000 0.952 137 R CB -0.651 29.616 30.300 -0.054 0.000 0.850 137 R HN 0.243 nan 8.270 nan 0.000 0.433 138 F N 0.360 120.268 119.950 -0.071 0.000 2.186 138 F HA 0.027 4.555 4.527 0.003 0.000 0.299 138 F C 1.906 177.707 175.800 0.001 0.000 1.090 138 F CA 1.170 59.169 58.000 -0.001 0.000 1.307 138 F CB -0.569 38.472 39.000 0.068 0.000 1.019 138 F HN 0.069 nan 8.300 nan 0.000 0.489 139 A N 0.624 123.372 122.820 -0.119 0.000 1.877 139 A HA -0.065 4.257 4.320 0.003 0.000 0.216 139 A C 2.454 179.941 177.584 -0.162 0.000 1.186 139 A CA 1.874 53.811 52.037 -0.166 0.000 0.620 139 A CB -1.594 17.383 19.000 -0.038 0.000 0.822 139 A HN 0.490 nan 8.150 nan 0.000 0.443 140 A N -0.687 122.096 122.820 -0.061 0.000 1.902 140 A HA -0.154 4.168 4.320 0.003 0.000 0.217 140 A C 2.166 179.709 177.584 -0.069 0.000 1.181 140 A CA 1.854 53.879 52.037 -0.021 0.000 0.623 140 A CB -0.374 18.686 19.000 0.100 0.000 0.818 140 A HN 0.339 nan 8.150 nan 0.000 0.443 141 K N -0.502 119.840 120.400 -0.097 0.000 2.025 141 K HA -0.072 4.250 4.320 0.003 0.000 0.207 141 K C 2.017 178.509 176.600 -0.179 0.000 1.049 141 K CA 1.416 57.666 56.287 -0.062 0.000 0.933 141 K CB -0.701 31.782 32.500 -0.028 0.000 0.714 141 K HN 0.565 nan 8.250 nan 0.000 0.438 142 L N 0.981 121.942 121.223 -0.437 0.000 2.012 142 L HA -0.182 4.160 4.340 0.003 0.000 0.210 142 L C 2.257 178.863 176.870 -0.440 0.000 1.073 142 L CA 1.262 55.784 54.840 -0.531 0.000 0.748 142 L CB -0.219 41.392 42.059 -0.746 0.000 0.891 142 L HN 0.099 nan 8.230 nan 0.000 0.431 143 I N -0.082 120.319 120.570 -0.281 0.000 2.163 143 I HA -0.347 3.825 4.170 0.003 0.000 0.243 143 I C 2.578 178.610 176.117 -0.143 0.000 1.085 143 I CA 1.899 63.143 61.300 -0.092 0.000 1.347 143 I CB -0.415 37.588 38.000 0.006 0.000 1.044 143 I HN 0.436 nan 8.210 nan 0.000 0.408 144 E N 0.959 121.052 120.200 -0.179 0.000 2.110 144 E HA -0.191 4.161 4.350 0.003 0.000 0.193 144 E C 2.259 178.554 176.600 -0.509 0.000 0.988 144 E CA 1.254 57.521 56.400 -0.223 0.000 0.804 144 E CB -0.195 29.466 29.700 -0.065 0.000 0.745 144 E HN 0.526 nan 8.360 nan 0.000 0.458 145 G N 0.255 108.659 108.800 -0.660 0.000 2.432 145 G HA2 -0.200 3.761 3.960 0.003 0.000 0.219 145 G HA3 -0.200 3.761 3.960 0.003 0.000 0.219 145 G C 1.582 176.238 174.900 -0.406 0.000 1.135 145 G CA 0.854 45.425 45.100 -0.883 0.000 0.767 145 G HN 0.220 nan 8.290 nan 0.000 0.550 146 V N 0.949 120.627 119.914 -0.393 0.000 2.453 146 V HA -0.040 4.082 4.120 0.003 0.000 0.247 146 V C 2.819 178.849 176.094 -0.106 0.000 1.048 146 V CA 1.067 63.162 62.300 -0.342 0.000 1.049 146 V CB -0.364 30.992 31.823 -0.779 0.000 0.672 146 V HN 0.339 nan 8.190 nan 0.000 0.457 147 L N 0.221 121.388 121.223 -0.093 0.000 2.141 147 L HA -0.164 4.178 4.340 0.003 0.000 0.209 147 L C 2.305 179.162 176.870 -0.021 0.000 1.094 147 L CA 1.829 56.658 54.840 -0.018 0.000 0.763 147 L CB -0.646 41.344 42.059 -0.115 0.000 0.908 147 L HN 0.400 nan 8.230 nan 0.000 0.437 148 D N 0.135 120.476 120.400 -0.099 0.000 2.117 148 D HA -0.240 4.402 4.640 0.003 0.000 0.198 148 D C 2.028 178.310 176.300 -0.030 0.000 0.982 148 D CA 1.038 55.025 54.000 -0.022 0.000 0.828 148 D CB -0.016 40.759 40.800 -0.040 0.000 0.967 148 D HN 0.213 nan 8.370 nan 0.000 0.464 149 F N 1.100 120.885 119.950 -0.274 0.000 2.186 149 F HA 0.000 4.529 4.527 0.003 0.000 0.299 149 F C 2.132 177.762 175.800 -0.284 0.000 1.090 149 F CA 1.167 58.853 58.000 -0.522 0.000 1.307 149 F CB -0.068 38.601 39.000 -0.551 0.000 1.019 149 F HN -0.159 nan 8.300 nan 0.000 0.489 150 K N 0.220 120.613 120.400 -0.012 0.000 2.209 150 K HA -0.164 4.158 4.320 0.003 0.000 0.204 150 K C 2.186 178.729 176.600 -0.095 0.000 1.048 150 K CA 1.408 57.682 56.287 -0.022 0.000 0.940 150 K CB -0.261 32.304 32.500 0.108 0.000 0.729 150 K HN 0.418 nan 8.250 nan 0.000 0.451 151 S N 0.394 116.042 115.700 -0.087 0.000 2.402 151 S HA -0.142 4.330 4.470 0.003 0.000 0.229 151 S C 1.924 176.437 174.600 -0.147 0.000 1.021 151 S CA 1.027 59.187 58.200 -0.068 0.000 0.974 151 S CB -0.245 62.943 63.200 -0.020 0.000 0.800 151 S HN 0.320 nan 8.310 nan 0.000 0.484 152 M N 0.521 119.952 119.600 -0.281 0.000 2.319 152 M HA 0.169 4.651 4.480 0.003 0.000 0.265 152 M C 1.946 178.054 176.300 -0.320 0.000 1.068 152 M CA 1.017 56.118 55.300 -0.332 0.000 1.118 152 M CB -0.465 31.819 32.600 -0.528 0.000 1.395 152 M HN 0.339 nan 8.290 nan 0.000 0.435 153 I N 0.084 120.432 120.570 -0.370 0.000 2.235 153 I HA -0.233 3.939 4.170 0.003 0.000 0.241 153 I C 1.758 177.806 176.117 -0.116 0.000 1.085 153 I CA 0.999 62.071 61.300 -0.380 0.000 1.378 153 I CB -0.485 37.225 38.000 -0.483 0.000 1.076 153 I HN 0.209 nan 8.210 nan 0.000 0.415 154 D N 1.056 121.409 120.400 -0.078 0.000 2.218 154 D HA -0.132 4.509 4.640 0.003 0.000 0.204 154 D C 1.355 177.658 176.300 0.005 0.000 0.976 154 D CA 1.075 55.076 54.000 0.002 0.000 0.853 154 D CB -0.308 40.480 40.800 -0.021 0.000 0.939 154 D HN 0.374 nan 8.370 nan 0.000 0.481 155 N N 0.573 119.252 118.700 -0.035 0.000 2.236 155 N HA -0.010 4.731 4.740 0.003 0.000 0.196 155 N C -0.205 175.265 175.510 -0.066 0.000 1.114 155 N CA 0.045 53.064 53.050 -0.050 0.000 0.859 155 N CB 0.660 39.110 38.487 -0.061 0.000 0.982 155 N HN 0.231 nan 8.380 nan 0.000 0.493 156 E N -0.565 119.629 120.200 -0.009 0.000 2.539 156 E HA -0.192 4.160 4.350 0.003 0.000 0.253 156 E C -0.003 176.558 176.600 -0.065 0.000 1.145 156 E CA 1.005 57.408 56.400 0.006 0.000 0.738 156 E CB -1.686 27.931 29.700 -0.138 0.000 1.308 156 E HN 0.488 nan 8.360 nan 0.000 0.409 157 T N -2.512 111.986 114.554 -0.093 0.000 3.105 157 T HA 0.274 4.626 4.350 0.003 0.000 0.253 157 T C 0.494 175.110 174.700 -0.140 0.000 1.047 157 T CA -0.548 61.494 62.100 -0.097 0.000 0.944 157 T CB 0.246 69.060 68.868 -0.091 0.000 1.016 157 T HN 0.097 nan 8.240 nan 0.000 0.544 158 L N 3.560 124.662 121.223 -0.201 0.000 2.513 158 L HA 0.336 4.678 4.340 0.003 0.000 0.272 158 L C -2.194 174.545 176.870 -0.218 0.000 1.187 158 L CA -1.615 53.039 54.840 -0.309 0.000 0.895 158 L CB -0.023 41.758 42.059 -0.462 0.000 1.147 158 L HN 0.026 nan 8.230 nan 0.000 0.483 159 P HA 0.032 nan 4.420 nan 0.000 0.265 159 P C -0.888 176.334 177.300 -0.129 0.000 1.187 159 P CA -0.259 62.781 63.100 -0.101 0.000 0.766 159 P CB 0.411 32.087 31.700 -0.040 0.000 0.820 160 V N 3.109 122.948 119.914 -0.124 0.000 2.686 160 V HA 0.083 4.205 4.120 0.003 0.000 0.295 160 V C 0.728 176.722 176.094 -0.168 0.000 1.055 160 V CA 0.203 62.357 62.300 -0.244 0.000 1.050 160 V CB 0.432 32.068 31.823 -0.312 0.000 0.984 160 V HN 0.549 nan 8.190 nan 0.000 0.482 161 E N 2.621 122.676 120.200 -0.242 0.000 2.235 161 E HA 0.669 5.021 4.350 0.003 0.000 0.265 161 E C -1.545 174.820 176.600 -0.390 0.000 0.940 161 E CA -0.471 55.867 56.400 -0.103 0.000 0.819 161 E CB 2.099 31.827 29.700 0.047 0.000 1.206 161 E HN 0.470 nan 8.360 nan 0.000 0.409 162 F N 0.581 120.561 119.950 0.050 0.000 2.611 162 F HA 0.379 4.908 4.527 0.003 0.000 0.324 162 F C 0.303 176.117 175.800 0.023 0.000 1.061 162 F CA -0.790 57.230 58.000 0.033 0.000 0.954 162 F CB 1.325 40.340 39.000 0.024 0.000 1.301 162 F HN 0.289 nan 8.300 nan 0.000 0.482 163 L N 0.260 121.595 121.223 0.187 0.000 3.099 163 L HA 0.416 4.757 4.340 0.003 0.000 0.165 163 L C 1.438 178.359 176.870 0.085 0.000 1.151 163 L CA 1.093 55.994 54.840 0.103 0.000 0.878 163 L CB 0.098 42.183 42.059 0.043 0.000 1.615 163 L HN 0.748 nan 8.230 nan 0.000 0.545 164 G N -0.721 108.113 108.800 0.057 0.000 3.383 164 G HA2 0.377 4.339 3.960 0.003 0.000 0.251 164 G HA3 0.377 4.339 3.960 0.003 0.000 0.251 164 G C 0.931 175.866 174.900 0.059 0.000 1.203 164 G CA 0.477 45.603 45.100 0.044 0.000 0.852 164 G HN 0.924 nan 8.290 nan 0.000 0.531 165 G N -0.896 107.970 108.800 0.110 0.000 2.131 165 G HA2 -0.209 3.753 3.960 0.003 0.000 0.223 165 G HA3 -0.209 3.753 3.960 0.003 0.000 0.223 165 G C 0.073 175.099 174.900 0.210 0.000 0.990 165 G CA -0.192 44.979 45.100 0.119 0.000 0.671 165 G HN 0.509 nan 8.290 nan 0.000 0.521 166 Q N -0.283 119.643 119.800 0.210 0.000 2.377 166 Q HA 0.493 4.835 4.340 0.003 0.000 0.271 166 Q C -2.716 173.314 176.000 0.050 0.000 1.077 166 Q CA -1.991 53.891 55.803 0.132 0.000 0.820 166 Q CB 2.301 31.018 28.738 -0.034 0.000 1.347 166 Q HN 0.134 nan 8.270 nan 0.000 0.444 167 P HA 0.102 nan 4.420 nan 0.000 0.268 167 P C -0.612 176.566 177.300 -0.204 0.000 1.208 167 P CA 0.246 63.142 63.100 -0.341 0.000 0.777 167 P CB 0.516 32.124 31.700 -0.152 0.000 0.875 168 L N 1.389 122.522 121.223 -0.151 0.000 2.342 168 L HA 0.411 4.753 4.340 0.003 0.000 0.271 168 L C 0.388 177.339 176.870 0.135 0.000 1.008 168 L CA -1.108 53.713 54.840 -0.031 0.000 0.818 168 L CB 1.906 43.950 42.059 -0.025 0.000 1.296 168 L HN 0.448 nan 8.230 nan 0.000 0.427 169 C N 3.927 123.278 119.300 0.086 0.000 2.611 169 C HA 0.095 4.557 4.460 0.003 0.000 0.416 169 C C 1.344 176.457 174.990 0.204 0.000 1.366 169 C CA -0.146 58.957 59.018 0.143 0.000 1.761 169 C CB -0.068 27.717 27.740 0.076 0.000 2.619 169 C HN 0.780 nan 8.230 nan 0.000 0.606 170 M N 4.890 124.665 119.600 0.292 0.000 2.346 170 M HA 0.095 4.577 4.480 0.003 0.000 0.280 170 M C 1.470 178.015 176.300 0.409 0.000 1.075 170 M CA 0.246 55.785 55.300 0.399 0.000 0.989 170 M CB -1.445 31.384 32.600 0.382 0.000 1.447 170 M HN 0.905 nan 8.290 nan 0.000 0.511 171 N N 1.370 120.215 118.700 0.243 0.000 2.205 171 N HA -0.185 4.557 4.740 0.003 0.000 0.186 171 N C 1.583 177.215 175.510 0.203 0.000 1.015 171 N CA 1.693 54.865 53.050 0.204 0.000 0.862 171 N CB 0.155 38.683 38.487 0.068 0.000 0.986 171 N HN 0.413 nan 8.380 nan 0.000 0.429 172 Q N -1.252 118.589 119.800 0.068 0.000 2.135 172 Q HA -0.184 4.158 4.340 0.003 0.000 0.204 172 Q C 1.354 177.323 176.000 -0.051 0.000 0.981 172 Q CA 1.490 57.261 55.803 -0.053 0.000 0.856 172 Q CB -0.225 28.391 28.738 -0.204 0.000 0.902 172 Q HN 0.583 nan 8.270 nan 0.000 0.425 173 Y N -1.377 118.992 120.300 0.115 0.000 2.384 173 Y HA -0.210 4.341 4.550 0.003 0.000 0.289 173 Y C 0.946 176.766 175.900 -0.133 0.000 1.152 173 Y CA 0.917 59.021 58.100 0.006 0.000 1.258 173 Y CB -0.095 38.343 38.460 -0.037 0.000 0.979 173 Y HN 0.190 nan 8.280 nan 0.000 0.549 174 Y N -0.478 119.926 120.300 0.173 0.000 2.583 174 Y HA 0.089 4.641 4.550 0.003 0.000 0.294 174 Y C 1.252 177.200 175.900 0.081 0.000 1.170 174 Y CA -0.298 57.873 58.100 0.118 0.000 1.265 174 Y CB 0.052 38.570 38.460 0.096 0.000 1.119 174 Y HN 0.133 nan 8.280 nan 0.000 0.522 175 Q N -0.762 119.123 119.800 0.143 0.000 2.254 175 Q HA 0.178 4.520 4.340 0.003 0.000 0.259 175 Q C 2.022 178.068 176.000 0.076 0.000 0.815 175 Q CA 0.419 56.280 55.803 0.096 0.000 0.961 175 Q CB 0.243 29.019 28.738 0.064 0.000 1.140 175 Q HN 0.675 nan 8.270 nan 0.000 0.502 176 I N -2.073 118.534 120.570 0.061 0.000 2.353 176 I HA 0.021 4.193 4.170 0.003 0.000 0.248 176 I C 0.737 176.921 176.117 0.112 0.000 1.119 176 I CA 0.600 61.934 61.300 0.057 0.000 1.417 176 I CB -0.128 37.877 38.000 0.008 0.000 1.078 176 I HN -0.118 nan 8.210 nan 0.000 0.421 177 L N 1.393 122.694 121.223 0.130 0.000 2.379 177 L HA 0.307 4.648 4.340 0.003 0.000 0.269 177 L C 0.966 177.944 176.870 0.180 0.000 1.084 177 L CA -0.530 54.417 54.840 0.180 0.000 0.802 177 L CB 1.342 43.506 42.059 0.176 0.000 1.175 177 L HN 0.200 nan 8.230 nan 0.000 0.448 178 S N -0.035 115.783 115.700 0.196 0.000 3.533 178 S HA -0.175 4.297 4.470 0.003 0.000 0.347 178 S C 0.134 174.908 174.600 0.290 0.000 1.101 178 S CA 1.009 59.328 58.200 0.199 0.000 1.009 178 S CB -1.377 61.937 63.200 0.190 0.000 0.916 178 S HN 0.882 nan 8.310 nan 0.000 0.496 179 S N -1.241 114.600 115.700 0.236 0.000 2.677 179 S HA 0.892 5.364 4.470 0.003 0.000 0.304 179 S C -0.311 174.429 174.600 0.234 0.000 1.108 179 S CA -0.348 57.985 58.200 0.222 0.000 0.944 179 S CB 2.613 65.895 63.200 0.137 0.000 1.127 179 S HN 0.894 nan 8.310 nan 0.000 0.511 180 C N 0.571 120.002 119.300 0.218 0.000 3.247 180 C HA 0.628 5.089 4.460 0.003 0.000 0.375 180 C C -0.564 174.539 174.990 0.187 0.000 1.102 180 C CA -0.503 58.658 59.018 0.238 0.000 1.227 180 C CB 1.249 29.172 27.740 0.304 0.000 1.586 180 C HN 1.220 nan 8.230 nan 0.000 0.544 181 R N 2.671 123.279 120.500 0.181 0.000 2.531 181 R HA 0.775 5.117 4.340 0.003 0.000 0.273 181 R C -1.233 175.129 176.300 0.104 0.000 1.070 181 R CA -0.145 56.027 56.100 0.120 0.000 1.112 181 R CB 0.939 31.306 30.300 0.111 0.000 1.049 181 R HN 0.623 nan 8.270 nan 0.000 0.508 182 V N 5.170 125.092 119.914 0.013 0.000 2.577 182 V HA 0.347 4.469 4.120 0.003 0.000 0.303 182 V C -2.327 173.635 176.094 -0.221 0.000 1.042 182 V CA -2.243 59.982 62.300 -0.124 0.000 0.872 182 V CB 1.781 33.566 31.823 -0.063 0.000 0.998 182 V HN 0.856 nan 8.190 nan 0.000 0.423 183 P HA 0.270 nan 4.420 nan 0.000 0.264 183 P C 0.072 177.206 177.300 -0.276 0.000 1.193 183 P CA 0.476 63.294 63.100 -0.469 0.000 0.763 183 P CB 0.607 31.674 31.700 -1.056 0.000 0.810 184 G N 3.759 112.473 108.800 -0.143 0.000 2.542 184 G HA2 0.442 4.403 3.960 0.003 0.000 0.311 184 G HA3 0.442 4.403 3.960 0.003 0.000 0.311 184 G C -2.038 172.836 174.900 -0.044 0.000 1.298 184 G CA -1.545 43.513 45.100 -0.070 0.000 0.973 184 G HN 0.173 nan 8.290 nan 0.000 0.487 185 P HA -0.129 nan 4.420 nan 0.000 0.216 185 P C 1.107 178.409 177.300 0.004 0.000 1.150 185 P CA 1.238 64.335 63.100 -0.005 0.000 0.837 185 P CB 0.616 32.316 31.700 0.001 0.000 0.786 186 K N -0.592 119.809 120.400 0.003 0.000 2.286 186 K HA 0.044 4.366 4.320 0.003 0.000 0.203 186 K C 1.150 177.753 176.600 0.006 0.000 1.078 186 K CA 0.234 56.526 56.287 0.008 0.000 0.957 186 K CB 0.500 33.006 32.500 0.011 0.000 1.018 186 K HN 0.171 nan 8.250 nan 0.000 0.484 187 Q N 0.380 120.181 119.800 0.002 0.000 2.462 187 Q HA 0.296 4.638 4.340 0.003 0.000 0.285 187 Q C -1.674 174.322 176.000 -0.007 0.000 1.035 187 Q CA -1.072 54.732 55.803 0.002 0.000 0.799 187 Q CB 1.883 30.629 28.738 0.014 0.000 1.452 187 Q HN -0.141 nan 8.270 nan 0.000 0.404 188 D N 1.181 121.578 120.400 -0.005 0.000 2.383 188 D HA 0.496 5.138 4.640 0.003 0.000 0.248 188 D C -0.440 175.861 176.300 0.001 0.000 1.170 188 D CA 0.067 54.058 54.000 -0.014 0.000 0.977 188 D CB 1.487 42.285 40.800 -0.003 0.000 1.120 188 D HN 0.649 nan 8.370 nan 0.000 0.481 189 S N -1.196 114.500 115.700 -0.006 0.000 2.704 189 S HA 0.794 5.266 4.470 0.003 0.000 0.296 189 S C -1.039 173.567 174.600 0.011 0.000 1.138 189 S CA -0.792 57.410 58.200 0.005 0.000 0.875 189 S CB 1.405 64.606 63.200 0.001 0.000 1.151 189 S HN 0.140 nan 8.310 nan 0.000 0.500 190 V N 1.423 121.342 119.914 0.008 0.000 2.638 190 V HA 0.655 4.777 4.120 0.003 0.000 0.306 190 V C -0.458 175.618 176.094 -0.030 0.000 1.052 190 V CA -0.684 61.623 62.300 0.011 0.000 0.885 190 V CB 1.681 33.513 31.823 0.015 0.000 0.999 190 V HN 1.053 nan 8.190 nan 0.000 0.424 191 V N 1.696 121.588 119.914 -0.038 0.000 2.483 191 V HA 0.665 4.786 4.120 0.003 0.000 0.295 191 V C -0.390 175.533 176.094 -0.285 0.000 1.035 191 V CA -0.555 61.617 62.300 -0.214 0.000 0.896 191 V CB 1.569 33.278 31.823 -0.189 0.000 0.986 191 V HN 0.941 nan 8.190 nan 0.000 0.447 192 N N 2.319 120.737 118.700 -0.471 0.000 2.461 192 N HA 0.554 5.296 4.740 0.003 0.000 0.284 192 N C -0.751 174.505 175.510 -0.424 0.000 1.049 192 N CA -0.654 52.229 53.050 -0.277 0.000 0.889 192 N CB 1.480 39.911 38.487 -0.093 0.000 1.365 192 N HN 0.683 nan 8.380 nan 0.000 0.499 193 F N 2.645 122.633 119.950 0.063 0.000 2.678 193 F HA 0.192 4.721 4.527 0.003 0.000 0.305 193 F C 1.645 177.477 175.800 0.053 0.000 1.090 193 F CA -0.462 57.571 58.000 0.054 0.000 1.272 193 F CB 0.229 39.258 39.000 0.048 0.000 1.060 193 F HN 0.448 nan 8.300 nan 0.000 0.576 194 L N 1.184 122.523 121.223 0.194 0.000 2.021 194 L HA -0.205 4.136 4.340 0.003 0.000 0.215 194 L C 1.308 178.255 176.870 0.128 0.000 1.074 194 L CA 2.131 57.063 54.840 0.153 0.000 0.760 194 L CB -0.407 41.742 42.059 0.150 0.000 0.889 194 L HN 0.020 nan 8.230 nan 0.000 0.433 195 K N -0.389 120.080 120.400 0.114 0.000 2.681 195 K HA 0.209 4.531 4.320 0.003 0.000 0.211 195 K C 0.399 177.044 176.600 0.075 0.000 1.075 195 K CA 0.202 56.541 56.287 0.087 0.000 1.141 195 K CB 0.090 32.636 32.500 0.077 0.000 0.896 195 K HN 0.430 nan 8.250 nan 0.000 0.470 196 S N -0.105 115.659 115.700 0.106 0.000 2.624 196 S HA 0.187 4.659 4.470 0.003 0.000 0.263 196 S C 1.292 175.941 174.600 0.082 0.000 1.287 196 S CA -0.764 57.505 58.200 0.114 0.000 0.990 196 S CB 1.222 64.553 63.200 0.217 0.000 0.950 196 S HN -0.007 nan 8.310 nan 0.000 0.561 197 K N 1.268 121.711 120.400 0.073 0.000 2.052 197 K HA -0.191 4.131 4.320 0.003 0.000 0.215 197 K C 0.867 177.491 176.600 0.040 0.000 1.053 197 K CA 1.807 58.123 56.287 0.049 0.000 0.934 197 K CB -0.555 31.973 32.500 0.046 0.000 0.717 197 K HN 0.875 nan 8.250 nan 0.000 0.450 198 R N 1.029 121.558 120.500 0.049 0.000 2.443 198 R HA 0.383 4.725 4.340 0.003 0.000 0.287 198 R C -2.847 173.478 176.300 0.042 0.000 1.425 198 R CA -1.765 54.353 56.100 0.031 0.000 1.300 198 R CB 0.533 30.845 30.300 0.021 0.000 1.129 198 R HN -0.170 nan 8.270 nan 0.000 0.577 199 P HA 0.020 nan 4.420 nan 0.000 0.264 199 P C -2.321 174.993 177.300 0.024 0.000 1.179 199 P CA -0.557 62.572 63.100 0.048 0.000 0.763 199 P CB 0.133 31.844 31.700 0.018 0.000 0.806 200 P HA 0.033 nan 4.420 nan 0.000 0.268 200 P C 0.483 177.799 177.300 0.028 0.000 1.204 200 P CA 0.321 63.433 63.100 0.020 0.000 0.768 200 P CB 0.258 31.901 31.700 -0.093 0.000 0.842 201 T N -1.738 112.884 114.554 0.113 0.000 3.132 201 T HA 0.209 4.561 4.350 0.003 0.000 0.274 201 T C 0.126 174.984 174.700 0.263 0.000 1.011 201 T CA -0.333 61.912 62.100 0.242 0.000 0.899 201 T CB -0.875 68.109 68.868 0.193 0.000 1.089 201 T HN 0.595 nan 8.240 nan 0.000 0.543 202 H N 0.219 119.313 119.070 0.040 0.000 2.747 202 H HA 0.787 5.345 4.556 0.003 0.000 0.371 202 H C -0.435 174.813 175.328 -0.132 0.000 1.161 202 H CA -1.513 54.505 56.048 -0.049 0.000 1.167 202 H CB 1.339 31.068 29.762 -0.056 0.000 1.732 202 H HN 0.338 nan 8.280 nan 0.000 0.544 203 I N -0.521 119.897 120.570 -0.253 0.000 3.100 203 I HA 0.702 4.874 4.170 0.003 0.000 0.312 203 I C -0.658 175.387 176.117 -0.119 0.000 1.063 203 I CA -1.128 59.919 61.300 -0.421 0.000 1.031 203 I CB 2.513 40.048 38.000 -0.776 0.000 1.243 203 I HN 0.800 nan 8.210 nan 0.000 0.483 204 T N 0.529 115.029 114.554 -0.090 0.000 2.856 204 T HA 0.738 5.090 4.350 0.003 0.000 0.283 204 T C -0.535 174.244 174.700 0.132 0.000 1.008 204 T CA -0.707 61.451 62.100 0.097 0.000 0.997 204 T CB 1.717 70.672 68.868 0.145 0.000 0.992 204 T HN 0.474 nan 8.240 nan 0.000 0.454 205 V N 2.780 122.815 119.914 0.203 0.000 2.487 205 V HA 0.533 4.655 4.120 0.003 0.000 0.298 205 V C -0.354 175.873 176.094 0.223 0.000 1.028 205 V CA -0.855 61.551 62.300 0.178 0.000 0.860 205 V CB 1.784 33.666 31.823 0.098 0.000 0.991 205 V HN 0.924 nan 8.190 nan 0.000 0.427 206 V N 3.711 123.694 119.914 0.115 0.000 2.417 206 V HA 0.592 4.714 4.120 0.003 0.000 0.291 206 V C -0.667 175.450 176.094 0.038 0.000 1.024 206 V CA -0.577 61.675 62.300 -0.081 0.000 0.861 206 V CB 1.348 32.981 31.823 -0.317 0.000 0.985 206 V HN 0.973 nan 8.190 nan 0.000 0.436 207 H N 4.386 123.395 119.070 -0.103 0.000 2.934 207 H HA 0.422 4.980 4.556 0.004 0.000 0.340 207 H C 0.205 175.394 175.328 -0.230 0.000 1.008 207 H CA -0.711 55.218 56.048 -0.199 0.000 1.317 207 H CB 1.002 30.578 29.762 -0.310 0.000 1.670 207 H HN 0.637 nan 8.280 nan 0.000 0.516 208 N N 5.039 123.346 118.700 -0.655 0.000 2.727 208 N HA -0.256 4.486 4.740 0.003 0.000 0.249 208 N C -0.385 174.816 175.510 -0.514 0.000 1.048 208 N CA 1.613 54.193 53.050 -0.783 0.000 0.714 208 N CB -1.516 36.448 38.487 -0.873 0.000 0.959 208 N HN 0.980 nan 8.380 nan 0.000 0.544 209 Y N -4.163 116.010 120.300 -0.212 0.000 4.929 209 Y HA -0.380 4.171 4.550 0.002 0.000 0.253 209 Y C 0.577 176.355 175.900 -0.204 0.000 0.946 209 Y CA 0.534 58.526 58.100 -0.180 0.000 1.905 209 Y CB -1.488 36.930 38.460 -0.070 0.000 1.400 209 Y HN 0.336 nan 8.280 nan 0.000 0.531 210 Q N 0.829 120.587 119.800 -0.069 0.000 2.290 210 Q HA 0.499 4.840 4.340 0.003 0.000 0.259 210 Q C -0.742 175.205 176.000 -0.088 0.000 0.941 210 Q CA -0.603 55.191 55.803 -0.016 0.000 0.912 210 Q CB 0.855 29.625 28.738 0.053 0.000 1.244 210 Q HN 0.117 nan 8.270 nan 0.000 0.441 211 F N 2.090 122.064 119.950 0.040 0.000 2.385 211 F HA 0.503 5.032 4.527 0.003 0.000 0.336 211 F C -0.275 175.401 175.800 -0.207 0.000 1.100 211 F CA -0.408 57.627 58.000 0.060 0.000 1.116 211 F CB 0.716 39.750 39.000 0.057 0.000 1.166 211 F HN 0.380 nan 8.300 nan 0.000 0.511 212 F N 0.327 120.383 119.950 0.176 0.000 2.565 212 F HA 0.290 4.818 4.527 0.002 0.000 0.313 212 F C -0.162 175.671 175.800 0.055 0.000 1.091 212 F CA -1.187 56.859 58.000 0.076 0.000 0.915 212 F CB 1.832 40.856 39.000 0.040 0.000 1.208 212 F HN 0.387 nan 8.300 nan 0.000 0.453 213 E N 3.302 123.598 120.200 0.158 0.000 2.044 213 E HA 0.395 4.747 4.350 0.003 0.000 0.282 213 E C -1.618 175.034 176.600 0.086 0.000 1.031 213 E CA -0.636 55.808 56.400 0.074 0.000 0.824 213 E CB 0.834 30.463 29.700 -0.118 0.000 1.076 213 E HN 0.558 nan 8.360 nan 0.000 0.395 214 L N 5.592 126.878 121.223 0.104 0.000 2.294 214 L HA 0.354 4.696 4.340 0.003 0.000 0.283 214 L C -0.890 175.996 176.870 0.028 0.000 1.015 214 L CA -0.477 54.386 54.840 0.039 0.000 0.831 214 L CB 1.410 43.465 42.059 -0.007 0.000 1.217 214 L HN 0.421 nan 8.230 nan 0.000 0.420 215 D N 4.079 124.490 120.400 0.018 0.000 2.348 215 D HA 0.133 4.775 4.640 0.003 0.000 0.253 215 D C 0.820 177.071 176.300 -0.081 0.000 1.161 215 D CA 0.257 54.270 54.000 0.023 0.000 0.876 215 D CB 1.970 42.786 40.800 0.026 0.000 1.160 215 D HN 0.520 nan 8.370 nan 0.000 0.459 216 V N 0.777 120.607 119.914 -0.140 0.000 3.271 216 V HA 0.298 4.420 4.120 0.003 0.000 0.327 216 V C -0.569 175.175 176.094 -0.582 0.000 1.389 216 V CA -0.216 61.872 62.300 -0.354 0.000 1.156 216 V CB -0.948 30.616 31.823 -0.430 0.000 1.103 216 V HN 0.271 nan 8.190 nan 0.000 0.453 217 Y N -0.658 119.556 120.300 -0.144 0.000 2.524 217 Y HA 0.701 5.253 4.550 0.003 0.000 0.347 217 Y C 0.523 176.325 175.900 -0.162 0.000 1.005 217 Y CA -1.069 56.952 58.100 -0.132 0.000 1.025 217 Y CB 1.432 39.867 38.460 -0.040 0.000 1.275 217 Y HN 0.102 nan 8.280 nan 0.000 0.460 218 H N -0.048 119.131 119.070 0.181 0.000 2.509 218 H HA 0.134 4.692 4.556 0.003 0.000 0.359 218 H C 1.105 176.487 175.328 0.091 0.000 1.253 218 H CA 0.590 56.699 56.048 0.102 0.000 1.373 218 H CB 1.580 31.386 29.762 0.073 0.000 1.555 218 H HN 0.785 nan 8.280 nan 0.000 0.586 219 S N 0.484 116.314 115.700 0.216 0.000 2.359 219 S HA -0.231 4.240 4.470 0.003 0.000 0.224 219 S C 1.415 176.070 174.600 0.092 0.000 1.035 219 S CA 1.618 59.887 58.200 0.115 0.000 1.018 219 S CB -0.348 62.900 63.200 0.081 0.000 0.876 219 S HN 0.783 nan 8.310 nan 0.000 0.448 220 D N 1.467 121.925 120.400 0.098 0.000 2.265 220 D HA 0.066 4.707 4.640 0.003 0.000 0.208 220 D C 1.544 177.885 176.300 0.069 0.000 0.977 220 D CA 1.255 55.295 54.000 0.067 0.000 0.871 220 D CB -1.136 39.696 40.800 0.054 0.000 0.925 220 D HN 0.880 nan 8.370 nan 0.000 0.485 221 G N -1.119 107.745 108.800 0.107 0.000 2.175 221 G HA2 -0.186 3.776 3.960 0.003 0.000 0.182 221 G HA3 -0.186 3.776 3.960 0.003 0.000 0.182 221 G C 0.187 175.174 174.900 0.144 0.000 1.003 221 G CA 0.230 45.372 45.100 0.070 0.000 0.666 221 G HN 0.668 nan 8.290 nan 0.000 0.506 222 T N 2.446 117.135 114.554 0.225 0.000 2.907 222 T HA 0.658 5.010 4.350 0.003 0.000 0.284 222 T C -2.358 172.543 174.700 0.335 0.000 1.004 222 T CA -1.443 60.814 62.100 0.261 0.000 1.063 222 T CB 1.880 70.873 68.868 0.208 0.000 0.992 222 T HN 0.094 nan 8.240 nan 0.000 0.483 223 P HA 0.230 nan 4.420 nan 0.000 0.275 223 P C -0.547 176.710 177.300 -0.073 0.000 1.228 223 P CA -0.614 62.456 63.100 -0.051 0.000 0.786 223 P CB 0.626 32.273 31.700 -0.089 0.000 0.927 224 L N 2.353 123.418 121.223 -0.263 0.000 2.473 224 L HA 0.189 4.531 4.340 0.003 0.000 0.268 224 L C 1.657 178.499 176.870 -0.047 0.000 1.215 224 L CA 0.770 55.499 54.840 -0.186 0.000 0.823 224 L CB -0.314 41.585 42.059 -0.267 0.000 1.099 224 L HN 0.507 nan 8.230 nan 0.000 0.483 225 T N -2.161 112.415 114.554 0.036 0.000 2.816 225 T HA 0.235 4.587 4.350 0.003 0.000 0.282 225 T C 1.297 176.019 174.700 0.035 0.000 0.993 225 T CA -0.119 62.011 62.100 0.050 0.000 0.994 225 T CB 0.806 69.716 68.868 0.070 0.000 1.025 225 T HN 0.659 nan 8.240 nan 0.000 0.529 226 S N 0.037 115.766 115.700 0.049 0.000 2.370 226 S HA -0.207 4.265 4.470 0.003 0.000 0.226 226 S C 1.629 176.267 174.600 0.062 0.000 1.033 226 S CA 1.491 59.719 58.200 0.047 0.000 1.011 226 S CB -0.858 62.372 63.200 0.049 0.000 0.852 226 S HN 0.839 nan 8.310 nan 0.000 0.457 227 D N 1.317 121.746 120.400 0.048 0.000 2.117 227 D HA -0.096 4.546 4.640 0.003 0.000 0.198 227 D C 2.230 178.615 176.300 0.141 0.000 0.982 227 D CA 1.351 55.392 54.000 0.067 0.000 0.828 227 D CB -0.407 40.408 40.800 0.024 0.000 0.967 227 D HN 0.603 nan 8.370 nan 0.000 0.464 228 Q N -0.286 119.569 119.800 0.093 0.000 2.020 228 Q HA -0.091 4.250 4.340 0.003 0.000 0.202 228 Q C 2.547 178.574 176.000 0.046 0.000 0.982 228 Q CA 1.241 57.090 55.803 0.076 0.000 0.838 228 Q CB -0.075 28.704 28.738 0.069 0.000 0.899 228 Q HN 0.395 nan 8.270 nan 0.000 0.423 229 I N 0.120 120.704 120.570 0.024 0.000 2.264 229 I HA -0.283 3.889 4.170 0.003 0.000 0.248 229 I C 2.166 178.286 176.117 0.006 0.000 1.111 229 I CA 1.051 62.342 61.300 -0.015 0.000 1.382 229 I CB -0.319 37.663 38.000 -0.030 0.000 1.060 229 I HN 0.192 nan 8.210 nan 0.000 0.418 230 F N 1.568 121.477 119.950 -0.067 0.000 2.095 230 F HA -0.228 4.301 4.527 0.003 0.000 0.298 230 F C 2.367 178.122 175.800 -0.074 0.000 1.104 230 F CA 1.776 59.729 58.000 -0.077 0.000 1.232 230 F CB -0.500 38.458 39.000 -0.070 0.000 0.987 230 F HN -0.222 nan 8.300 nan 0.000 0.475 231 V N 0.768 120.659 119.914 -0.038 0.000 2.282 231 V HA -0.343 3.779 4.120 0.003 0.000 0.249 231 V C 2.500 178.472 176.094 -0.204 0.000 1.057 231 V CA 2.169 64.394 62.300 -0.125 0.000 1.032 231 V CB -0.906 30.933 31.823 0.027 0.000 0.645 231 V HN 0.402 nan 8.190 nan 0.000 0.447 232 Q N -0.423 119.292 119.800 -0.142 0.000 2.119 232 Q HA -0.082 4.260 4.340 0.003 0.000 0.201 232 Q C 2.288 178.168 176.000 -0.200 0.000 0.972 232 Q CA 1.416 57.137 55.803 -0.136 0.000 0.847 232 Q CB -0.461 28.221 28.738 -0.094 0.000 0.903 232 Q HN 0.569 nan 8.270 nan 0.000 0.433 233 L N 0.625 121.699 121.223 -0.249 0.000 2.131 233 L HA -0.186 4.155 4.340 0.003 0.000 0.210 233 L C 2.297 178.985 176.870 -0.304 0.000 1.092 233 L CA 1.072 55.754 54.840 -0.263 0.000 0.759 233 L CB -0.340 41.565 42.059 -0.257 0.000 0.903 233 L HN 0.267 nan 8.230 nan 0.000 0.435 234 E N 0.253 120.193 120.200 -0.435 0.000 2.051 234 E HA -0.223 4.129 4.350 0.003 0.000 0.192 234 E C 2.191 178.684 176.600 -0.179 0.000 0.991 234 E CA 1.151 57.332 56.400 -0.366 0.000 0.799 234 E CB 0.045 29.475 29.700 -0.450 0.000 0.748 234 E HN 0.455 nan 8.360 nan 0.000 0.449 235 K N 0.574 120.867 120.400 -0.179 0.000 2.032 235 K HA -0.147 4.175 4.320 0.003 0.000 0.209 235 K C 2.208 178.695 176.600 -0.189 0.000 1.048 235 K CA 1.230 57.441 56.287 -0.127 0.000 0.927 235 K CB -0.225 32.212 32.500 -0.104 0.000 0.712 235 K HN 0.117 nan 8.250 nan 0.000 0.441 236 I N 0.241 120.617 120.570 -0.322 0.000 2.163 236 I HA -0.309 3.863 4.170 0.003 0.000 0.243 236 I C 2.424 178.227 176.117 -0.524 0.000 1.085 236 I CA 1.176 62.050 61.300 -0.711 0.000 1.347 236 I CB -0.354 37.250 38.000 -0.661 0.000 1.044 236 I HN 0.440 nan 8.210 nan 0.000 0.408 237 W N 2.425 123.470 121.300 -0.425 0.000 2.358 237 W HA -0.190 4.472 4.660 0.003 0.000 0.303 237 W C 2.073 178.535 176.519 -0.095 0.000 1.208 237 W CA 1.494 58.656 57.345 -0.304 0.000 1.274 237 W CB -0.462 28.767 29.460 -0.385 0.000 1.138 237 W HN 0.223 nan 8.180 nan 0.000 0.515 238 N N 0.202 119.005 118.700 0.173 0.000 2.550 238 N HA -0.085 4.657 4.740 0.003 0.000 0.186 238 N C 1.311 176.858 175.510 0.063 0.000 1.110 238 N CA 1.086 54.218 53.050 0.137 0.000 0.912 238 N CB -0.271 38.268 38.487 0.088 0.000 0.968 238 N HN -0.020 nan 8.380 nan 0.000 0.448 239 S N -0.317 115.395 115.700 0.020 0.000 2.605 239 S HA 0.071 4.543 4.470 0.003 0.000 0.217 239 S C 0.576 175.303 174.600 0.212 0.000 0.958 239 S CA -0.280 57.993 58.200 0.120 0.000 0.919 239 S CB 0.188 63.502 63.200 0.191 0.000 0.780 239 S HN 0.351 nan 8.310 nan 0.000 0.507 240 S N 0.253 116.002 115.700 0.081 0.000 2.630 240 S HA 0.327 4.799 4.470 0.003 0.000 0.173 240 S C 0.230 174.700 174.600 -0.217 0.000 1.048 240 S CA -0.512 57.690 58.200 0.004 0.000 1.172 240 S CB -0.860 62.405 63.200 0.107 0.000 1.638 240 S HN 0.234 nan 8.310 nan 0.000 0.429 241 L N 0.592 121.740 121.223 -0.125 0.000 2.552 241 L HA 0.283 4.625 4.340 0.003 0.000 0.227 241 L C 1.081 177.851 176.870 -0.166 0.000 1.146 241 L CA 0.747 55.510 54.840 -0.127 0.000 0.858 241 L CB -0.014 42.050 42.059 0.008 0.000 0.969 241 L HN 0.601 nan 8.230 nan 0.000 0.451 242 Q N -1.234 118.452 119.800 -0.189 0.000 2.421 242 Q HA 0.289 4.631 4.340 0.003 0.000 0.280 242 Q C -0.662 175.194 176.000 -0.240 0.000 1.085 242 Q CA -0.409 55.287 55.803 -0.179 0.000 0.807 242 Q CB 2.359 31.041 28.738 -0.092 0.000 1.405 242 Q HN -0.124 nan 8.270 nan 0.000 0.419 243 S N 2.319 117.863 115.700 -0.260 0.000 3.149 243 S HA 0.039 4.511 4.470 0.003 0.000 0.228 243 S C 0.462 174.991 174.600 -0.117 0.000 1.393 243 S CA -0.349 57.660 58.200 -0.317 0.000 1.224 243 S CB -0.521 62.386 63.200 -0.488 0.000 1.112 243 S HN 0.553 nan 8.310 nan 0.000 0.502 244 N N 0.900 119.558 118.700 -0.070 0.000 2.322 244 N HA 0.018 4.760 4.740 0.003 0.000 0.194 244 N C -0.244 175.283 175.510 0.029 0.000 1.126 244 N CA -0.164 52.880 53.050 -0.011 0.000 0.845 244 N CB 0.289 38.768 38.487 -0.014 0.000 0.976 244 N HN 0.120 nan 8.380 nan 0.000 0.475 245 K N 1.253 121.686 120.400 0.054 0.000 2.164 245 K HA 0.243 4.564 4.320 0.003 0.000 0.258 245 K C 0.135 176.833 176.600 0.164 0.000 0.951 245 K CA -0.559 55.789 56.287 0.103 0.000 0.844 245 K CB 1.732 34.297 32.500 0.108 0.000 1.099 245 K HN 0.060 nan 8.250 nan 0.000 0.435 246 E N 3.349 123.619 120.200 0.117 0.000 2.414 246 E HA 0.006 4.358 4.350 0.003 0.000 0.263 246 E C -1.918 174.717 176.600 0.057 0.000 1.000 246 E CA -1.469 54.977 56.400 0.076 0.000 0.914 246 E CB 0.249 29.971 29.700 0.036 0.000 0.948 246 E HN 0.218 nan 8.360 nan 0.000 0.444 247 P HA 0.031 nan 4.420 nan 0.000 0.226 247 P C 0.902 178.106 177.300 -0.161 0.000 1.783 247 P CA 0.034 62.966 63.100 -0.279 0.000 0.980 247 P CB -0.030 31.233 31.700 -0.728 0.000 1.967 248 V N 1.899 121.758 119.914 -0.093 0.000 2.317 248 V HA -0.241 3.881 4.120 0.003 0.000 0.251 248 V C 2.835 178.860 176.094 -0.115 0.000 1.065 248 V CA 2.652 64.846 62.300 -0.176 0.000 1.049 248 V CB -1.705 29.802 31.823 -0.527 0.000 0.651 248 V HN 0.389 nan 8.190 nan 0.000 0.450 249 G N -0.682 108.186 108.800 0.113 0.000 2.499 249 G HA2 -0.279 3.683 3.960 0.003 0.000 0.221 249 G HA3 -0.279 3.683 3.960 0.003 0.000 0.221 249 G C 1.593 176.402 174.900 -0.152 0.000 1.109 249 G CA 0.888 46.093 45.100 0.174 0.000 0.749 249 G HN 0.544 nan 8.290 nan 0.000 0.568 250 I N 0.216 120.692 120.570 -0.157 0.000 2.567 250 I HA -0.074 4.097 4.170 0.003 0.000 0.257 250 I C 2.416 178.342 176.117 -0.319 0.000 1.184 250 I CA 0.421 61.618 61.300 -0.171 0.000 1.451 250 I CB 0.069 37.967 38.000 -0.171 0.000 1.089 250 I HN 0.154 nan 8.210 nan 0.000 0.441 251 L N 0.254 121.205 121.223 -0.453 0.000 2.127 251 L HA -0.222 4.120 4.340 0.003 0.000 0.211 251 L C 2.478 178.612 176.870 -1.227 0.000 1.089 251 L CA 1.879 56.334 54.840 -0.642 0.000 0.757 251 L CB -1.097 40.625 42.059 -0.561 0.000 0.899 251 L HN 0.429 nan 8.230 nan 0.000 0.434 252 T N -4.127 109.556 114.554 -1.453 0.000 3.155 252 T HA -0.067 4.285 4.350 0.003 0.000 0.264 252 T C 1.607 175.854 174.700 -0.755 0.000 1.160 252 T CA 0.861 62.013 62.100 -1.580 0.000 1.075 252 T CB -0.274 67.870 68.868 -1.207 0.000 0.921 252 T HN 0.432 nan 8.240 nan 0.000 0.533 253 S N -0.491 114.889 115.700 -0.532 0.000 2.540 253 S HA 0.225 4.697 4.470 0.003 0.000 0.218 253 S C 0.769 175.177 174.600 -0.321 0.000 0.977 253 S CA -0.744 57.184 58.200 -0.454 0.000 0.918 253 S CB -0.270 62.657 63.200 -0.455 0.000 0.806 253 S HN 0.390 nan 8.310 nan 0.000 0.496 254 N N 1.896 120.428 118.700 -0.279 0.000 2.366 254 N HA 0.150 4.891 4.740 0.003 0.000 0.277 254 N C -0.307 175.190 175.510 -0.023 0.000 1.275 254 N CA -0.223 52.765 53.050 -0.104 0.000 0.964 254 N CB 0.193 38.659 38.487 -0.035 0.000 1.167 254 N HN 0.435 nan 8.380 nan 0.000 0.568 255 H N 0.735 119.784 119.070 -0.034 0.000 2.972 255 H HA 0.050 4.608 4.556 0.003 0.000 0.343 255 H C 1.205 176.551 175.328 0.029 0.000 1.054 255 H CA 0.256 56.283 56.048 -0.036 0.000 1.412 255 H CB 0.724 30.460 29.762 -0.044 0.000 1.385 255 H HN 0.321 nan 8.280 nan 0.000 0.600 256 R N 3.041 123.349 120.500 -0.319 0.000 2.127 256 R HA -0.144 4.198 4.340 0.003 0.000 0.238 256 R C 1.443 177.789 176.300 0.077 0.000 1.134 256 R CA 1.126 57.182 56.100 -0.074 0.000 0.975 256 R CB -0.565 29.620 30.300 -0.193 0.000 0.865 256 R HN 0.713 nan 8.270 nan 0.000 0.447 257 N N -0.089 118.757 118.700 0.243 0.000 2.171 257 N HA -0.076 4.666 4.740 0.003 0.000 0.184 257 N C 1.549 177.157 175.510 0.164 0.000 1.021 257 N CA 1.656 54.834 53.050 0.213 0.000 0.854 257 N CB -0.207 38.428 38.487 0.247 0.000 0.994 257 N HN 0.204 nan 8.380 nan 0.000 0.426 258 T N 0.594 115.279 114.554 0.219 0.000 2.777 258 T HA -0.126 4.226 4.350 0.003 0.000 0.266 258 T C 1.506 176.348 174.700 0.237 0.000 1.040 258 T CA 0.608 62.808 62.100 0.166 0.000 1.141 258 T CB -0.354 68.599 68.868 0.143 0.000 0.868 258 T HN 0.477 nan 8.240 nan 0.000 0.444 259 W N 1.949 123.263 121.300 0.023 0.000 2.363 259 W HA -0.142 4.519 4.660 0.003 0.000 0.296 259 W C 2.482 179.033 176.519 0.052 0.000 1.212 259 W CA 0.676 58.022 57.345 0.001 0.000 1.260 259 W CB -0.189 29.231 29.460 -0.067 0.000 1.131 259 W HN 0.298 nan 8.180 nan 0.000 0.530 260 A N 1.030 123.798 122.820 -0.086 0.000 1.892 260 A HA -0.307 4.015 4.320 0.003 0.000 0.218 260 A C 1.987 179.519 177.584 -0.088 0.000 1.188 260 A CA 2.294 54.209 52.037 -0.203 0.000 0.631 260 A CB -1.074 17.875 19.000 -0.085 0.000 0.822 260 A HN 0.411 nan 8.150 nan 0.000 0.447 261 K N -0.631 119.768 120.400 -0.001 0.000 2.062 261 K HA 0.009 4.330 4.320 0.003 0.000 0.205 261 K C 2.152 178.771 176.600 0.031 0.000 1.051 261 K CA 1.080 57.377 56.287 0.017 0.000 0.941 261 K CB -0.308 32.212 32.500 0.033 0.000 0.719 261 K HN 0.357 nan 8.250 nan 0.000 0.440 262 A N 0.328 123.208 122.820 0.101 0.000 1.930 262 A HA -0.186 4.136 4.320 0.003 0.000 0.217 262 A C 2.025 179.676 177.584 0.112 0.000 1.175 262 A CA 1.299 53.437 52.037 0.170 0.000 0.627 262 A CB -0.797 18.411 19.000 0.346 0.000 0.815 262 A HN 0.595 nan 8.150 nan 0.000 0.443 263 Y N 1.092 121.207 120.300 -0.307 0.000 2.200 263 Y HA -0.186 4.366 4.550 0.003 0.000 0.290 263 Y C 2.270 178.036 175.900 -0.223 0.000 1.137 263 Y CA 1.902 59.662 58.100 -0.567 0.000 1.163 263 Y CB -0.309 37.366 38.460 -1.307 0.000 0.988 263 Y HN 0.388 nan 8.280 nan 0.000 0.518 264 N N 0.721 119.313 118.700 -0.179 0.000 2.223 264 N HA -0.233 4.509 4.740 0.003 0.000 0.185 264 N C 1.487 176.904 175.510 -0.156 0.000 1.016 264 N CA 1.554 54.496 53.050 -0.181 0.000 0.863 264 N CB -0.413 38.043 38.487 -0.051 0.000 0.983 264 N HN 0.562 nan 8.380 nan 0.000 0.429 265 N N 0.324 118.970 118.700 -0.089 0.000 2.173 265 N HA -0.079 4.663 4.740 0.003 0.000 0.184 265 N C 1.864 177.349 175.510 -0.041 0.000 1.025 265 N CA 0.497 53.521 53.050 -0.042 0.000 0.852 265 N CB -0.394 38.095 38.487 0.004 0.000 0.998 265 N HN 0.102 nan 8.380 nan 0.000 0.427 266 L N 1.498 122.705 121.223 -0.027 0.000 1.997 266 L HA -0.114 4.228 4.340 0.003 0.000 0.216 266 L C 1.711 178.579 176.870 -0.004 0.000 1.074 266 L CA 1.721 56.583 54.840 0.037 0.000 0.763 266 L CB -0.790 41.350 42.059 0.134 0.000 0.890 266 L HN 0.509 nan 8.230 nan 0.000 0.434 267 I N -3.900 116.573 120.570 -0.161 0.000 3.605 267 I HA -0.068 4.103 4.170 0.003 0.000 0.301 267 I C 1.699 177.754 176.117 -0.102 0.000 1.267 267 I CA 0.553 61.760 61.300 -0.155 0.000 1.236 267 I CB -0.708 37.096 38.000 -0.327 0.000 1.010 267 I HN 0.185 nan 8.210 nan 0.000 0.491 268 K N 1.092 121.451 120.400 -0.070 0.000 2.432 268 K HA -0.032 4.289 4.320 0.003 0.000 0.196 268 K C 0.222 176.806 176.600 -0.026 0.000 1.038 268 K CA 0.468 56.728 56.287 -0.046 0.000 0.986 268 K CB -0.096 32.385 32.500 -0.032 0.000 0.782 268 K HN 0.470 nan 8.250 nan 0.000 0.485 269 D N 0.602 120.993 120.400 -0.014 0.000 2.177 269 D HA 0.033 4.675 4.640 0.003 0.000 0.247 269 D C 0.860 177.142 176.300 -0.029 0.000 1.063 269 D CA -0.258 53.736 54.000 -0.009 0.000 0.867 269 D CB 1.435 42.244 40.800 0.015 0.000 1.168 269 D HN -0.188 nan 8.370 nan 0.000 0.445 270 K N 2.255 122.634 120.400 -0.035 0.000 2.001 270 K HA -0.181 4.141 4.320 0.003 0.000 0.214 270 K C 1.553 178.108 176.600 -0.074 0.000 1.050 270 K CA 1.655 57.912 56.287 -0.049 0.000 0.934 270 K CB -0.194 32.279 32.500 -0.044 0.000 0.718 270 K HN 0.403 nan 8.250 nan 0.000 0.443 271 V N 2.058 121.924 119.914 -0.080 0.000 2.287 271 V HA -0.289 3.833 4.120 0.003 0.000 0.248 271 V C 2.099 178.077 176.094 -0.192 0.000 1.053 271 V CA 2.092 64.314 62.300 -0.130 0.000 1.027 271 V CB -0.756 30.998 31.823 -0.116 0.000 0.646 271 V HN 0.425 nan 8.190 nan 0.000 0.447 272 N N 0.230 118.857 118.700 -0.121 0.000 2.043 272 N HA -0.201 4.540 4.740 0.003 0.000 0.193 272 N C 1.980 177.434 175.510 -0.094 0.000 1.037 272 N CA 1.829 54.824 53.050 -0.091 0.000 0.851 272 N CB -0.514 38.055 38.487 0.138 0.000 1.027 272 N HN 0.457 nan 8.380 nan 0.000 0.422 273 R N 1.192 121.652 120.500 -0.067 0.000 2.105 273 R HA -0.110 4.232 4.340 0.003 0.000 0.239 273 R C 1.976 178.216 176.300 -0.100 0.000 1.135 273 R CA 1.514 57.574 56.100 -0.067 0.000 0.967 273 R CB -0.129 30.132 30.300 -0.064 0.000 0.861 273 R HN 0.348 nan 8.270 nan 0.000 0.442 274 E N -0.408 119.710 120.200 -0.137 0.000 2.110 274 E HA -0.148 4.204 4.350 0.003 0.000 0.193 274 E C 1.607 178.071 176.600 -0.227 0.000 0.988 274 E CA 1.494 57.798 56.400 -0.161 0.000 0.804 274 E CB 0.075 29.680 29.700 -0.158 0.000 0.745 274 E HN 0.311 nan 8.360 nan 0.000 0.458 275 S N -0.218 115.284 115.700 -0.330 0.000 2.355 275 S HA -0.111 4.361 4.470 0.003 0.000 0.222 275 S C 2.010 176.388 174.600 -0.371 0.000 1.031 275 S CA 1.017 58.936 58.200 -0.468 0.000 0.993 275 S CB -0.057 62.561 63.200 -0.971 0.000 0.859 275 S HN 0.146 nan 8.310 nan 0.000 0.453 276 V N 3.200 122.978 119.914 -0.227 0.000 2.295 276 V HA -0.205 3.917 4.120 0.003 0.000 0.246 276 V C 2.372 178.386 176.094 -0.133 0.000 1.049 276 V CA 1.739 63.955 62.300 -0.140 0.000 1.024 276 V CB -0.819 31.099 31.823 0.157 0.000 0.648 276 V HN 0.577 nan 8.190 nan 0.000 0.447 277 N N -0.120 118.527 118.700 -0.089 0.000 2.094 277 N HA -0.228 4.513 4.740 0.003 0.000 0.191 277 N C 2.162 177.584 175.510 -0.145 0.000 1.023 277 N CA 1.914 54.914 53.050 -0.084 0.000 0.857 277 N CB -0.028 38.408 38.487 -0.084 0.000 1.013 277 N HN 0.460 nan 8.380 nan 0.000 0.426 278 S N 0.574 116.173 115.700 -0.168 0.000 2.356 278 S HA -0.034 4.438 4.470 0.003 0.000 0.223 278 S C 2.161 176.745 174.600 -0.028 0.000 1.032 278 S CA 0.726 58.859 58.200 -0.111 0.000 1.005 278 S CB -0.237 62.842 63.200 -0.202 0.000 0.867 278 S HN 0.334 nan 8.310 nan 0.000 0.449 279 I N 1.342 121.783 120.570 -0.214 0.000 2.163 279 I HA -0.242 3.930 4.170 0.003 0.000 0.243 279 I C 2.784 178.780 176.117 -0.202 0.000 1.085 279 I CA 1.527 62.634 61.300 -0.322 0.000 1.347 279 I CB -0.503 36.985 38.000 -0.853 0.000 1.044 279 I HN 0.438 nan 8.210 nan 0.000 0.408 280 Q N 0.576 120.293 119.800 -0.140 0.000 2.124 280 Q HA -0.204 4.138 4.340 0.003 0.000 0.202 280 Q C 2.039 178.060 176.000 0.034 0.000 0.977 280 Q CA 1.280 57.114 55.803 0.052 0.000 0.850 280 Q CB -0.098 28.742 28.738 0.170 0.000 0.901 280 Q HN 0.491 nan 8.270 nan 0.000 0.429 281 K N 0.898 121.175 120.400 -0.206 0.000 2.361 281 K HA 0.032 4.354 4.320 0.003 0.000 0.196 281 K C 0.737 177.186 176.600 -0.251 0.000 1.039 281 K CA 0.181 56.218 56.287 -0.415 0.000 1.001 281 K CB 0.292 32.397 32.500 -0.659 0.000 0.795 281 K HN 0.133 nan 8.250 nan 0.000 0.495 282 S N 0.778 116.315 115.700 -0.272 0.000 2.558 282 S HA -0.000 4.472 4.470 0.003 0.000 0.291 282 S C 1.306 175.767 174.600 -0.233 0.000 1.306 282 S CA -0.296 57.598 58.200 -0.511 0.000 1.056 282 S CB 0.317 63.343 63.200 -0.290 0.000 0.836 282 S HN 0.115 nan 8.310 nan 0.000 0.504 283 I N 1.268 121.678 120.570 -0.267 0.000 2.248 283 I HA -0.044 4.128 4.170 0.003 0.000 0.248 283 I C 0.700 176.949 176.117 0.220 0.000 1.107 283 I CA 1.381 62.679 61.300 -0.002 0.000 1.373 283 I CB -0.549 37.466 38.000 0.024 0.000 1.055 283 I HN 0.823 nan 8.210 nan 0.000 0.418 284 F N -2.903 117.083 119.950 0.059 0.000 2.842 284 F HA 0.501 5.030 4.527 0.003 0.000 0.319 284 F C -1.103 174.789 175.800 0.154 0.000 1.159 284 F CA -1.265 56.825 58.000 0.149 0.000 0.902 284 F CB 0.670 39.833 39.000 0.272 0.000 1.311 284 F HN -0.496 nan 8.300 nan 0.000 0.453 285 T N 1.761 116.596 114.554 0.469 0.000 2.829 285 T HA 0.689 5.041 4.350 0.003 0.000 0.280 285 T C -1.174 173.814 174.700 0.481 0.000 0.999 285 T CA -0.707 61.596 62.100 0.337 0.000 0.983 285 T CB 1.907 70.951 68.868 0.294 0.000 0.968 285 T HN 0.615 nan 8.240 nan 0.000 0.446 286 V N 2.314 122.436 119.914 0.347 0.000 2.417 286 V HA 0.340 4.462 4.120 0.003 0.000 0.291 286 V C -0.265 175.970 176.094 0.235 0.000 1.024 286 V CA -0.814 61.689 62.300 0.339 0.000 0.861 286 V CB 1.312 33.296 31.823 0.267 0.000 0.985 286 V HN 1.078 nan 8.190 nan 0.000 0.436 287 C N 6.415 125.852 119.300 0.228 0.000 2.251 287 C HA 0.513 4.975 4.460 0.003 0.000 0.323 287 C C 0.413 175.519 174.990 0.194 0.000 1.241 287 C CA -0.930 58.194 59.018 0.177 0.000 1.601 287 C CB -0.314 27.517 27.740 0.151 0.000 2.251 287 C HN 0.716 nan 8.230 nan 0.000 0.488 288 L N 3.879 125.214 121.223 0.187 0.000 2.358 288 L HA 0.231 4.573 4.340 0.003 0.000 0.274 288 L C -0.081 176.950 176.870 0.269 0.000 1.136 288 L CA 0.077 55.061 54.840 0.240 0.000 0.970 288 L CB -0.519 41.664 42.059 0.208 0.000 1.314 288 L HN 0.625 nan 8.230 nan 0.000 0.427 289 D N 2.361 122.913 120.400 0.252 0.000 2.368 289 D HA 0.155 4.797 4.640 0.003 0.000 0.240 289 D C 0.353 176.805 176.300 0.254 0.000 1.169 289 D CA 0.079 54.216 54.000 0.228 0.000 0.906 289 D CB 0.855 41.787 40.800 0.220 0.000 1.187 289 D HN 0.400 nan 8.370 nan 0.000 0.435 290 K N -0.101 120.417 120.400 0.196 0.000 2.210 290 K HA 0.331 4.652 4.320 0.003 0.000 0.236 290 K C -0.044 176.684 176.600 0.214 0.000 1.016 290 K CA -0.982 55.422 56.287 0.195 0.000 0.913 290 K CB 0.846 33.392 32.500 0.077 0.000 1.141 290 K HN 0.286 nan 8.250 nan 0.000 0.462 291 Q N 1.241 121.164 119.800 0.205 0.000 2.286 291 Q HA 0.068 4.410 4.340 0.003 0.000 0.290 291 Q C -0.454 175.667 176.000 0.202 0.000 1.049 291 Q CA -0.491 55.428 55.803 0.193 0.000 0.923 291 Q CB 0.605 29.442 28.738 0.165 0.000 1.183 291 Q HN 0.513 nan 8.270 nan 0.000 0.383 292 V N 1.759 121.795 119.914 0.204 0.000 2.769 292 V HA 0.635 4.757 4.120 0.003 0.000 0.312 292 V C -2.385 173.820 176.094 0.186 0.000 1.058 292 V CA -2.414 60.025 62.300 0.233 0.000 0.952 292 V CB 0.941 32.870 31.823 0.175 0.000 1.019 292 V HN 0.779 nan 8.190 nan 0.000 0.445 293 P HA 0.142 nan 4.420 nan 0.000 0.260 293 P C -0.253 177.097 177.300 0.083 0.000 1.185 293 P CA 0.121 63.312 63.100 0.151 0.000 0.763 293 P CB 0.122 31.941 31.700 0.199 0.000 0.776 294 R N 3.656 124.192 120.500 0.060 0.000 2.457 294 R HA 0.154 4.495 4.340 0.003 0.000 0.335 294 R C 0.155 176.448 176.300 -0.012 0.000 1.003 294 R CA -0.219 55.895 56.100 0.023 0.000 1.003 294 R CB -0.323 29.980 30.300 0.004 0.000 0.950 294 R HN 0.358 nan 8.270 nan 0.000 0.428 295 V N 1.742 121.631 119.914 -0.042 0.000 3.234 295 V HA 0.507 4.629 4.120 0.003 0.000 0.317 295 V C 0.241 176.288 176.094 -0.078 0.000 1.081 295 V CA -0.800 61.432 62.300 -0.113 0.000 1.037 295 V CB 1.642 33.258 31.823 -0.347 0.000 1.148 295 V HN 0.842 nan 8.190 nan 0.000 0.453 296 S N 0.519 116.173 115.700 -0.077 0.000 2.563 296 S HA 0.045 4.517 4.470 0.003 0.000 0.284 296 S C 0.584 175.174 174.600 -0.016 0.000 1.331 296 S CA 0.234 58.409 58.200 -0.042 0.000 1.047 296 S CB 0.319 63.505 63.200 -0.023 0.000 0.859 296 S HN 0.819 nan 8.310 nan 0.000 0.514 297 D N 1.602 121.990 120.400 -0.020 0.000 2.178 297 D HA -0.146 4.496 4.640 0.003 0.000 0.201 297 D C 1.515 177.850 176.300 0.058 0.000 0.980 297 D CA 1.501 55.502 54.000 0.003 0.000 0.842 297 D CB -0.401 40.373 40.800 -0.044 0.000 0.948 297 D HN 0.890 nan 8.370 nan 0.000 0.472 298 D N 1.062 121.485 120.400 0.037 0.000 2.378 298 D HA -0.103 4.539 4.640 0.003 0.000 0.222 298 D C 1.685 178.028 176.300 0.072 0.000 0.980 298 D CA 0.622 54.653 54.000 0.052 0.000 0.907 298 D CB 0.134 40.959 40.800 0.041 0.000 0.899 298 D HN 0.306 nan 8.370 nan 0.000 0.527 299 V N -4.214 115.747 119.914 0.079 0.000 3.382 299 V HA 0.145 4.267 4.120 0.003 0.000 0.296 299 V C 1.810 177.986 176.094 0.137 0.000 1.529 299 V CA -0.662 61.704 62.300 0.110 0.000 1.048 299 V CB -0.754 31.137 31.823 0.115 0.000 0.878 299 V HN -0.046 nan 8.190 nan 0.000 0.442 300 Y N 2.675 122.959 120.300 -0.027 0.000 2.030 300 Y HA -0.233 4.319 4.550 0.003 0.000 0.274 300 Y C 2.762 178.675 175.900 0.021 0.000 1.153 300 Y CA 2.855 60.935 58.100 -0.034 0.000 1.115 300 Y CB -0.324 38.110 38.460 -0.043 0.000 0.969 300 Y HN 0.271 nan 8.280 nan 0.000 0.488 301 R N 0.175 120.621 120.500 -0.090 0.000 2.133 301 R HA -0.230 4.112 4.340 0.003 0.000 0.247 301 R C 1.900 178.082 176.300 -0.196 0.000 1.151 301 R CA 1.925 57.910 56.100 -0.191 0.000 0.971 301 R CB -0.314 29.969 30.300 -0.029 0.000 0.866 301 R HN 0.457 nan 8.270 nan 0.000 0.447 302 N N -0.243 118.403 118.700 -0.091 0.000 2.120 302 N HA -0.148 4.594 4.740 0.003 0.000 0.188 302 N C 1.542 176.945 175.510 -0.178 0.000 1.024 302 N CA 1.414 54.388 53.050 -0.127 0.000 0.852 302 N CB -0.546 37.919 38.487 -0.037 0.000 1.003 302 N HN 0.398 nan 8.380 nan 0.000 0.424 303 H N 0.038 118.978 119.070 -0.216 0.000 2.389 303 H HA 0.068 4.626 4.556 0.003 0.000 0.299 303 H C 2.031 177.193 175.328 -0.276 0.000 1.081 303 H CA 0.740 56.660 56.048 -0.214 0.000 1.345 303 H CB -0.204 29.460 29.762 -0.163 0.000 1.393 303 H HN -0.054 nan 8.280 nan 0.000 0.520 304 V N 0.453 120.211 119.914 -0.260 0.000 2.407 304 V HA -0.241 3.881 4.120 0.003 0.000 0.248 304 V C 2.535 178.493 176.094 -0.227 0.000 1.055 304 V CA 1.550 63.685 62.300 -0.276 0.000 1.049 304 V CB -0.993 30.583 31.823 -0.412 0.000 0.662 304 V HN 0.563 nan 8.190 nan 0.000 0.455 305 A N 0.603 123.210 122.820 -0.355 0.000 1.933 305 A HA -0.071 4.251 4.320 0.003 0.000 0.218 305 A C 2.405 179.694 177.584 -0.491 0.000 1.175 305 A CA 1.874 53.525 52.037 -0.644 0.000 0.628 305 A CB -1.086 17.293 19.000 -1.036 0.000 0.814 305 A HN 0.521 nan 8.150 nan 0.000 0.444 306 G N -1.008 107.531 108.800 -0.435 0.000 2.408 306 G HA2 -0.229 3.733 3.960 0.003 0.000 0.217 306 G HA3 -0.229 3.733 3.960 0.003 0.000 0.217 306 G C 1.594 176.090 174.900 -0.673 0.000 1.150 306 G CA 0.996 45.728 45.100 -0.614 0.000 0.776 306 G HN 0.624 nan 8.290 nan 0.000 0.542 307 Q N -0.670 118.953 119.800 -0.295 0.000 2.135 307 Q HA -0.109 4.233 4.340 0.003 0.000 0.204 307 Q C 2.424 178.402 176.000 -0.037 0.000 0.981 307 Q CA 1.270 57.000 55.803 -0.122 0.000 0.856 307 Q CB -0.115 28.600 28.738 -0.037 0.000 0.902 307 Q HN 0.348 nan 8.270 nan 0.000 0.425 308 M N -0.336 119.270 119.600 0.010 0.000 2.288 308 M HA -0.044 4.438 4.480 0.003 0.000 0.266 308 M C 1.996 178.394 176.300 0.164 0.000 1.072 308 M CA 0.684 56.067 55.300 0.138 0.000 1.132 308 M CB -0.780 31.979 32.600 0.266 0.000 1.386 308 M HN 0.273 nan 8.290 nan 0.000 0.432 309 L N 0.503 121.798 121.223 0.120 0.000 2.068 309 L HA -0.104 4.237 4.340 0.003 0.000 0.204 309 L C 2.478 179.390 176.870 0.070 0.000 1.076 309 L CA 1.776 56.691 54.840 0.124 0.000 0.753 309 L CB -0.470 41.679 42.059 0.149 0.000 0.910 309 L HN 0.499 nan 8.230 nan 0.000 0.439 310 H N -4.191 114.948 119.070 0.116 0.000 3.457 310 H HA 0.413 4.971 4.556 0.003 0.000 0.255 310 H C 1.310 176.766 175.328 0.214 0.000 1.082 310 H CA 0.672 56.751 56.048 0.051 0.000 1.189 310 H CB 0.703 30.401 29.762 -0.106 0.000 1.511 310 H HN 0.244 nan 8.280 nan 0.000 0.527 311 G N 0.417 109.310 108.800 0.154 0.000 2.184 311 G HA2 -0.148 3.814 3.960 0.003 0.000 0.206 311 G HA3 -0.148 3.814 3.960 0.003 0.000 0.206 311 G C 1.246 176.299 174.900 0.255 0.000 0.995 311 G CA 0.670 45.914 45.100 0.240 0.000 0.651 311 G HN 1.210 nan 8.290 nan 0.000 0.511 312 G N -1.109 107.888 108.800 0.328 0.000 2.417 312 G HA2 0.420 4.382 3.960 0.003 0.000 0.233 312 G HA3 0.420 4.382 3.960 0.003 0.000 0.233 312 G C 1.533 176.607 174.900 0.290 0.000 1.103 312 G CA 1.115 46.313 45.100 0.163 0.000 0.647 312 G HN 2.886 nan 8.290 nan 0.000 0.512 313 G N -1.815 107.245 108.800 0.432 0.000 2.361 313 G HA2 0.523 4.485 3.960 0.003 0.000 0.305 313 G HA3 0.523 4.485 3.960 0.003 0.000 0.305 313 G C 0.754 175.827 174.900 0.289 0.000 1.367 313 G CA 0.978 46.304 45.100 0.377 0.000 0.951 313 G HN 1.698 nan 8.290 nan 0.000 0.615 314 S N -0.678 115.092 115.700 0.117 0.000 2.419 314 S HA -0.056 4.416 4.470 0.003 0.000 0.233 314 S C 1.649 176.244 174.600 -0.009 0.000 1.016 314 S CA 1.698 59.902 58.200 0.006 0.000 0.974 314 S CB -0.120 63.055 63.200 -0.042 0.000 0.786 314 S HN 0.598 nan 8.310 nan 0.000 0.492 315 K N -0.222 120.115 120.400 -0.106 0.000 2.444 315 K HA 0.260 4.581 4.320 0.003 0.000 0.193 315 K C 0.256 176.580 176.600 -0.460 0.000 1.024 315 K CA 0.304 56.393 56.287 -0.329 0.000 1.077 315 K CB 0.031 32.191 32.500 -0.566 0.000 0.833 315 K HN 0.448 nan 8.250 nan 0.000 0.517 316 F N -0.074 119.974 119.950 0.163 0.000 2.276 316 F HA 0.183 4.713 4.527 0.005 0.000 0.213 316 F C 1.521 177.458 175.800 0.229 0.000 1.098 316 F CA -0.448 57.655 58.000 0.171 0.000 1.162 316 F CB 0.007 39.096 39.000 0.149 0.000 1.511 316 F HN -0.183 nan 8.300 nan 0.000 0.540 317 N N -0.712 118.260 118.700 0.453 0.000 2.159 317 N HA 0.101 4.843 4.740 0.003 0.000 0.217 317 N C 1.141 176.822 175.510 0.286 0.000 1.223 317 N CA 0.263 53.523 53.050 0.351 0.000 0.896 317 N CB 0.672 39.321 38.487 0.270 0.000 1.064 317 N HN 0.067 nan 8.380 nan 0.000 0.518 318 S N 0.265 116.128 115.700 0.272 0.000 2.400 318 S HA -0.086 4.386 4.470 0.003 0.000 0.232 318 S C 1.896 176.566 174.600 0.116 0.000 1.025 318 S CA 1.343 59.689 58.200 0.244 0.000 0.993 318 S CB -0.185 63.140 63.200 0.208 0.000 0.808 318 S HN 0.509 nan 8.310 nan 0.000 0.478 319 G N 0.727 109.471 108.800 -0.094 0.000 2.712 319 G HA2 -0.062 3.899 3.960 0.003 0.000 0.212 319 G HA3 -0.062 3.899 3.960 0.003 0.000 0.212 319 G C 0.758 175.583 174.900 -0.124 0.000 1.142 319 G CA -0.086 44.767 45.100 -0.411 0.000 0.789 319 G HN 0.441 nan 8.290 nan 0.000 0.535 320 N N 0.497 119.288 118.700 0.152 0.000 2.758 320 N HA 0.182 4.924 4.740 0.003 0.000 0.293 320 N C 0.215 175.757 175.510 0.053 0.000 1.273 320 N CA -0.183 52.965 53.050 0.163 0.000 1.022 320 N CB -0.051 38.570 38.487 0.225 0.000 1.334 320 N HN 0.106 nan 8.380 nan 0.000 0.519 321 R N -0.601 119.936 120.500 0.061 0.000 2.810 321 R HA 0.376 4.718 4.340 0.003 0.000 0.266 321 R C -1.517 174.918 176.300 0.225 0.000 1.061 321 R CA -0.703 55.370 56.100 -0.045 0.000 0.943 321 R CB 1.191 31.131 30.300 -0.600 0.000 1.237 321 R HN 0.218 nan 8.270 nan 0.000 0.459 322 W N 1.915 123.093 121.300 -0.204 0.000 2.320 322 W HA 0.229 4.890 4.660 0.002 0.000 0.287 322 W C -1.068 175.365 176.519 -0.144 0.000 1.041 322 W CA -0.605 56.708 57.345 -0.053 0.000 1.148 322 W CB 0.228 29.739 29.460 0.086 0.000 1.046 322 W HN 0.611 nan 8.180 nan 0.000 0.295 323 F N 1.440 121.291 119.950 -0.164 0.000 2.722 323 F HA -0.117 4.411 4.527 0.003 0.000 0.298 323 F C 1.755 177.519 175.800 -0.061 0.000 1.175 323 F CA 1.043 58.983 58.000 -0.101 0.000 1.462 323 F CB -0.156 38.745 39.000 -0.164 0.000 1.111 323 F HN -0.005 nan 8.300 nan 0.000 0.592 324 D N -0.077 120.346 120.400 0.038 0.000 2.249 324 D HA -0.055 4.587 4.640 0.003 0.000 0.205 324 D C 1.091 177.573 176.300 0.304 0.000 0.962 324 D CA 0.649 54.760 54.000 0.185 0.000 0.860 324 D CB -0.091 40.865 40.800 0.259 0.000 0.955 324 D HN -0.016 nan 8.370 nan 0.000 0.505 325 K N 0.843 121.502 120.400 0.432 0.000 2.451 325 K HA 0.024 4.346 4.320 0.003 0.000 0.280 325 K C 1.066 177.803 176.600 0.229 0.000 1.020 325 K CA 0.299 56.796 56.287 0.351 0.000 1.008 325 K CB 0.588 33.305 32.500 0.361 0.000 0.917 325 K HN -0.192 nan 8.250 nan 0.000 0.478 326 T N 3.483 118.159 114.554 0.203 0.000 2.674 326 T HA -0.085 4.267 4.350 0.003 0.000 0.265 326 T C 0.399 175.184 174.700 0.143 0.000 1.039 326 T CA 1.099 63.298 62.100 0.166 0.000 1.150 326 T CB -0.056 68.901 68.868 0.148 0.000 0.864 326 T HN 0.394 nan 8.240 nan 0.000 0.427 327 L N 1.775 123.079 121.223 0.134 0.000 2.294 327 L HA 0.422 4.763 4.340 0.003 0.000 0.283 327 L C -0.422 176.465 176.870 0.028 0.000 1.015 327 L CA -0.407 54.442 54.840 0.016 0.000 0.831 327 L CB 1.556 43.647 42.059 0.053 0.000 1.217 327 L HN 0.121 nan 8.230 nan 0.000 0.420 328 Q N 3.552 123.276 119.800 -0.127 0.000 2.327 328 Q HA 0.476 4.818 4.340 0.003 0.000 0.270 328 Q C -1.411 174.470 176.000 -0.198 0.000 1.022 328 Q CA -0.528 55.260 55.803 -0.024 0.000 0.773 328 Q CB 2.344 31.085 28.738 0.006 0.000 1.251 328 Q HN 0.376 nan 8.270 nan 0.000 0.457 329 F N 2.802 122.833 119.950 0.136 0.000 2.420 329 F HA 0.495 5.023 4.527 0.003 0.000 0.342 329 F C 0.184 176.066 175.800 0.138 0.000 1.113 329 F CA -0.605 57.456 58.000 0.102 0.000 1.059 329 F CB 0.988 40.018 39.000 0.050 0.000 1.128 329 F HN 0.307 nan 8.300 nan 0.000 0.475 330 I N 3.710 124.453 120.570 0.289 0.000 2.406 330 I HA 0.436 4.608 4.170 0.003 0.000 0.290 330 I C -1.057 175.240 176.117 0.301 0.000 0.999 330 I CA -0.906 60.546 61.300 0.252 0.000 1.124 330 I CB 1.838 39.951 38.000 0.188 0.000 1.289 330 I HN 0.173 nan 8.210 nan 0.000 0.441 331 V N 5.943 126.037 119.914 0.300 0.000 2.325 331 V HA 0.503 4.624 4.120 0.003 0.000 0.280 331 V C 0.535 176.833 176.094 0.340 0.000 1.016 331 V CA -0.600 61.915 62.300 0.358 0.000 0.818 331 V CB 1.210 33.231 31.823 0.331 0.000 1.019 331 V HN 0.859 nan 8.190 nan 0.000 0.434 332 A N 3.113 126.143 122.820 0.350 0.000 2.346 332 A HA 0.379 4.701 4.320 0.003 0.000 0.252 332 A C 1.301 179.140 177.584 0.424 0.000 1.089 332 A CA -0.021 52.210 52.037 0.324 0.000 0.797 332 A CB 0.400 19.547 19.000 0.245 0.000 1.047 332 A HN 0.810 nan 8.150 nan 0.000 0.494 333 E N 0.287 120.703 120.200 0.360 0.000 2.208 333 E HA -0.163 4.189 4.350 0.003 0.000 0.193 333 E C 0.367 177.182 176.600 0.358 0.000 0.988 333 E CA 1.397 58.028 56.400 0.385 0.000 0.828 333 E CB -0.029 29.862 29.700 0.319 0.000 0.763 333 E HN 0.775 nan 8.360 nan 0.000 0.478 334 D N -1.189 119.350 120.400 0.231 0.000 2.336 334 D HA 0.093 4.735 4.640 0.003 0.000 0.228 334 D C 1.207 177.438 176.300 -0.115 0.000 1.120 334 D CA 0.701 54.754 54.000 0.089 0.000 0.839 334 D CB 0.135 41.003 40.800 0.114 0.000 0.932 334 D HN 0.275 nan 8.370 nan 0.000 0.509 335 G N -0.226 108.397 108.800 -0.295 0.000 2.234 335 G HA2 -0.271 3.691 3.960 0.003 0.000 0.235 335 G HA3 -0.271 3.691 3.960 0.003 0.000 0.235 335 G C 0.360 175.076 174.900 -0.308 0.000 0.997 335 G CA 0.210 44.757 45.100 -0.922 0.000 0.623 335 G HN 0.608 nan 8.290 nan 0.000 0.514 336 S N 0.400 116.091 115.700 -0.014 0.000 2.564 336 S HA 0.573 5.045 4.470 0.003 0.000 0.278 336 S C 0.628 175.319 174.600 0.152 0.000 1.333 336 S CA 0.711 58.952 58.200 0.069 0.000 1.048 336 S CB 0.296 63.557 63.200 0.102 0.000 0.900 336 S HN 1.777 nan 8.310 nan 0.000 0.505 337 C N 2.057 121.445 119.300 0.146 0.000 3.288 337 C HA 1.055 5.517 4.460 0.003 0.000 0.318 337 C C 0.338 175.452 174.990 0.207 0.000 1.356 337 C CA 0.094 59.253 59.018 0.234 0.000 1.359 337 C CB 0.783 28.733 27.740 0.349 0.000 1.688 337 C HN 1.156 nan 8.230 nan 0.000 0.467 338 G N 0.495 109.434 108.800 0.233 0.000 2.435 338 G HA2 0.794 4.756 3.960 0.003 0.000 0.228 338 G HA3 0.794 4.756 3.960 0.003 0.000 0.228 338 G C -1.308 173.678 174.900 0.143 0.000 1.198 338 G CA -0.047 45.161 45.100 0.180 0.000 0.948 338 G HN 2.094 nan 8.290 nan 0.000 0.487 339 M N -1.777 117.854 119.600 0.053 0.000 2.956 339 M HA 0.759 5.241 4.480 0.003 0.000 0.272 339 M C -2.203 174.069 176.300 -0.047 0.000 1.132 339 M CA -0.990 54.280 55.300 -0.051 0.000 0.805 339 M CB 1.849 34.290 32.600 -0.264 0.000 1.639 339 M HN 1.456 nan 8.290 nan 0.000 0.520 340 V N 2.428 122.313 119.914 -0.049 0.000 2.733 340 V HA 0.799 4.921 4.120 0.003 0.000 0.306 340 V C -2.064 174.041 176.094 0.017 0.000 1.084 340 V CA -0.219 62.078 62.300 -0.005 0.000 0.905 340 V CB 2.233 34.109 31.823 0.088 0.000 1.010 340 V HN 0.968 nan 8.190 nan 0.000 0.424 341 Y N 3.191 123.425 120.300 -0.109 0.000 2.485 341 Y HA 0.750 5.302 4.550 0.003 0.000 0.345 341 Y C -0.240 175.633 175.900 -0.044 0.000 0.998 341 Y CA -1.064 56.973 58.100 -0.105 0.000 1.059 341 Y CB 1.548 39.901 38.460 -0.179 0.000 1.234 341 Y HN 0.581 nan 8.280 nan 0.000 0.461 342 E N 2.757 122.990 120.200 0.055 0.000 2.166 342 E HA -0.019 4.333 4.350 0.003 0.000 0.279 342 E C 0.435 177.033 176.600 -0.003 0.000 1.095 342 E CA 0.325 56.729 56.400 0.006 0.000 0.888 342 E CB 0.151 29.906 29.700 0.091 0.000 1.041 342 E HN 0.911 nan 8.360 nan 0.000 0.414 343 H N 3.921 122.822 119.070 -0.282 0.000 2.518 343 H HA -0.097 4.461 4.556 0.003 0.000 0.292 343 H C 1.420 176.354 175.328 -0.657 0.000 1.068 343 H CA 1.377 57.216 56.048 -0.348 0.000 1.275 343 H CB 0.290 29.880 29.762 -0.286 0.000 1.375 343 H HN 0.576 nan 8.280 nan 0.000 0.563 344 A N 0.314 122.858 122.820 -0.459 0.000 1.972 344 A HA -0.071 4.251 4.320 0.003 0.000 0.219 344 A C 2.720 180.170 177.584 -0.224 0.000 1.169 344 A CA 1.519 53.224 52.037 -0.553 0.000 0.635 344 A CB -0.796 18.087 19.000 -0.195 0.000 0.810 344 A HN 0.472 nan 8.150 nan 0.000 0.446 345 A N -1.154 121.630 122.820 -0.060 0.000 1.898 345 A HA 0.458 4.780 4.320 0.003 0.000 0.216 345 A C 1.255 178.842 177.584 0.004 0.000 1.181 345 A CA 1.957 53.996 52.037 0.004 0.000 0.620 345 A CB -0.475 18.553 19.000 0.046 0.000 0.819 345 A HN 1.687 nan 8.150 nan 0.000 0.442 346 A N -2.086 120.762 122.820 0.048 0.000 2.467 346 A HA 0.611 4.933 4.320 0.003 0.000 0.301 346 A C -1.059 176.608 177.584 0.138 0.000 1.126 346 A CA -0.522 51.529 52.037 0.022 0.000 0.632 346 A CB 0.145 19.064 19.000 -0.135 0.000 1.331 346 A HN 0.089 nan 8.150 nan 0.000 0.482 347 E N -0.866 119.365 120.200 0.051 0.000 2.700 347 E HA 0.562 4.914 4.350 0.003 0.000 0.253 347 E C 1.469 177.999 176.600 -0.116 0.000 1.175 347 E CA 0.502 56.970 56.400 0.112 0.000 1.010 347 E CB 0.485 30.260 29.700 0.124 0.000 1.284 347 E HN 0.758 nan 8.360 nan 0.000 0.557 348 G N 0.288 109.057 108.800 -0.052 0.000 2.404 348 G HA2 -0.127 3.835 3.960 0.003 0.000 0.215 348 G HA3 -0.127 3.835 3.960 0.003 0.000 0.215 348 G C -1.116 173.688 174.900 -0.159 0.000 1.174 348 G CA 0.553 45.574 45.100 -0.132 0.000 0.780 348 G HN 0.391 nan 8.290 nan 0.000 0.537 349 P HA -0.128 nan 4.420 nan 0.000 0.217 349 P C -1.298 175.948 177.300 -0.090 0.000 1.162 349 P CA 2.116 65.177 63.100 -0.066 0.000 0.901 349 P CB -0.769 30.913 31.700 -0.032 0.000 0.793 350 P HA -0.135 nan 4.420 nan 0.000 0.216 350 P C 1.493 178.666 177.300 -0.212 0.000 1.150 350 P CA 1.232 64.120 63.100 -0.353 0.000 0.837 350 P CB -0.535 30.736 31.700 -0.715 0.000 0.786 351 I N -0.636 119.736 120.570 -0.330 0.000 2.179 351 I HA -0.155 4.017 4.170 0.003 0.000 0.242 351 I C 2.316 178.291 176.117 -0.236 0.000 1.088 351 I CA 1.725 62.798 61.300 -0.379 0.000 1.357 351 I CB -1.701 35.899 38.000 -0.667 0.000 1.051 351 I HN -0.061 nan 8.210 nan 0.000 0.409 352 V N 0.013 119.827 119.914 -0.166 0.000 2.515 352 V HA -0.069 4.052 4.120 0.003 0.000 0.250 352 V C 2.730 178.793 176.094 -0.052 0.000 1.058 352 V CA 1.335 63.581 62.300 -0.089 0.000 1.064 352 V CB -1.645 30.146 31.823 -0.052 0.000 0.675 352 V HN 0.284 nan 8.190 nan 0.000 0.461 353 A N 0.924 123.738 122.820 -0.010 0.000 1.902 353 A HA -0.131 4.191 4.320 0.003 0.000 0.217 353 A C 2.283 179.794 177.584 -0.122 0.000 1.181 353 A CA 2.160 54.233 52.037 0.061 0.000 0.623 353 A CB -0.620 18.533 19.000 0.255 0.000 0.818 353 A HN 0.635 nan 8.150 nan 0.000 0.443 354 L N -0.458 120.537 121.223 -0.380 0.000 2.093 354 L HA -0.108 4.234 4.340 0.003 0.000 0.208 354 L C 2.323 178.962 176.870 -0.385 0.000 1.085 354 L CA 1.406 55.700 54.840 -0.910 0.000 0.755 354 L CB -0.213 41.374 42.059 -0.788 0.000 0.904 354 L HN 0.180 nan 8.230 nan 0.000 0.435 355 V N 0.411 120.224 119.914 -0.167 0.000 2.261 355 V HA -0.308 3.814 4.120 0.003 0.000 0.246 355 V C 2.220 178.320 176.094 0.010 0.000 1.047 355 V CA 2.190 64.472 62.300 -0.030 0.000 1.015 355 V CB -0.679 31.143 31.823 -0.002 0.000 0.642 355 V HN 0.510 nan 8.190 nan 0.000 0.446 356 D N -1.168 119.243 120.400 0.018 0.000 2.133 356 D HA -0.210 4.432 4.640 0.003 0.000 0.195 356 D C 2.077 178.431 176.300 0.090 0.000 0.997 356 D CA 1.597 55.633 54.000 0.060 0.000 0.840 356 D CB -0.409 40.433 40.800 0.070 0.000 0.947 356 D HN 0.553 nan 8.370 nan 0.000 0.452 357 H N 0.615 119.685 119.070 0.001 0.000 2.326 357 H HA -0.056 4.501 4.556 0.003 0.000 0.301 357 H C 2.091 177.459 175.328 0.067 0.000 1.081 357 H CA 1.210 57.300 56.048 0.069 0.000 1.334 357 H CB -0.150 29.703 29.762 0.151 0.000 1.385 357 H HN -0.039 nan 8.280 nan 0.000 0.504 358 V N 1.552 121.535 119.914 0.115 0.000 2.287 358 V HA -0.302 3.820 4.120 0.003 0.000 0.248 358 V C 2.933 179.067 176.094 0.067 0.000 1.053 358 V CA 1.820 64.136 62.300 0.026 0.000 1.027 358 V CB -0.556 31.202 31.823 -0.109 0.000 0.646 358 V HN 0.358 nan 8.190 nan 0.000 0.447 359 M N -0.308 119.343 119.600 0.086 0.000 2.080 359 M HA -0.199 4.283 4.480 0.003 0.000 0.260 359 M C 2.219 178.585 176.300 0.110 0.000 1.068 359 M CA 1.805 57.187 55.300 0.137 0.000 1.109 359 M CB -1.391 31.287 32.600 0.130 0.000 1.342 359 M HN 0.495 nan 8.290 nan 0.000 0.405 360 E N -0.840 119.397 120.200 0.061 0.000 2.209 360 E HA -0.244 4.108 4.350 0.003 0.000 0.196 360 E C 1.946 178.548 176.600 0.002 0.000 0.993 360 E CA 1.031 57.443 56.400 0.020 0.000 0.819 360 E CB -0.094 29.600 29.700 -0.010 0.000 0.745 360 E HN 0.516 nan 8.360 nan 0.000 0.477 361 Y N 0.698 120.924 120.300 -0.123 0.000 2.286 361 Y HA -0.104 4.448 4.550 0.003 0.000 0.293 361 Y C 2.421 178.289 175.900 -0.052 0.000 1.124 361 Y CA 1.826 59.850 58.100 -0.126 0.000 1.178 361 Y CB -0.279 38.081 38.460 -0.167 0.000 1.010 361 Y HN 0.124 nan 8.280 nan 0.000 0.536 362 T N -2.455 112.211 114.554 0.186 0.000 3.098 362 T HA -0.080 4.272 4.350 0.003 0.000 0.266 362 T C 1.258 176.012 174.700 0.091 0.000 1.145 362 T CA 1.028 63.227 62.100 0.164 0.000 1.092 362 T CB -0.305 68.728 68.868 0.275 0.000 0.908 362 T HN 0.296 nan 8.240 nan 0.000 0.526 363 K N 0.535 120.953 120.400 0.029 0.000 2.397 363 K HA 0.226 4.548 4.320 0.003 0.000 0.202 363 K C 0.089 176.649 176.600 -0.067 0.000 1.022 363 K CA -0.145 56.142 56.287 0.001 0.000 1.141 363 K CB 0.424 32.932 32.500 0.014 0.000 0.857 363 K HN 0.314 nan 8.250 nan 0.000 0.514 364 K N 2.228 122.536 120.400 -0.153 0.000 2.258 364 K HA 0.176 4.498 4.320 0.003 0.000 0.284 364 K C -2.578 173.931 176.600 -0.151 0.000 1.051 364 K CA -1.877 54.286 56.287 -0.207 0.000 0.923 364 K CB 0.675 32.926 32.500 -0.414 0.000 1.046 364 K HN -0.173 nan 8.250 nan 0.000 0.474 365 P HA -0.065 nan 4.420 nan 0.000 0.263 365 P C -0.980 176.269 177.300 -0.085 0.000 1.195 365 P CA 0.168 63.221 63.100 -0.077 0.000 0.762 365 P CB 0.350 32.014 31.700 -0.060 0.000 0.799 366 E N 2.801 122.959 120.200 -0.070 0.000 2.498 366 E HA -0.009 4.343 4.350 0.003 0.000 0.252 366 E C 0.435 177.003 176.600 -0.054 0.000 1.025 366 E CA -0.067 56.295 56.400 -0.064 0.000 0.938 366 E CB 0.128 29.794 29.700 -0.056 0.000 0.947 366 E HN 0.391 nan 8.360 nan 0.000 0.478 367 L N 2.155 123.347 121.223 -0.051 0.000 2.506 367 L HA 0.033 4.375 4.340 0.003 0.000 0.199 367 L C 0.475 177.328 176.870 -0.029 0.000 1.178 367 L CA -0.659 54.158 54.840 -0.038 0.000 0.868 367 L CB 0.039 42.079 42.059 -0.031 0.000 1.451 367 L HN 0.400 nan 8.230 nan 0.000 0.526 368 V N 0.186 120.087 119.914 -0.022 0.000 2.452 368 V HA 0.040 4.162 4.120 0.003 0.000 0.286 368 V C 0.454 176.538 176.094 -0.016 0.000 0.995 368 V CA -0.548 61.742 62.300 -0.018 0.000 1.116 368 V CB -0.667 31.148 31.823 -0.014 0.000 0.954 368 V HN 0.496 nan 8.190 nan 0.000 0.473 369 R N 4.482 124.970 120.500 -0.020 0.000 2.446 369 R HA 0.198 4.540 4.340 0.003 0.000 0.314 369 R C 0.664 176.957 176.300 -0.011 0.000 1.003 369 R CA 0.604 56.693 56.100 -0.019 0.000 1.018 369 R CB 0.557 30.840 30.300 -0.028 0.000 0.945 369 R HN 1.066 nan 8.270 nan 0.000 0.419 370 S N 3.705 119.403 115.700 -0.004 0.000 2.608 370 S HA 0.610 5.082 4.470 0.003 0.000 0.291 370 S C -1.938 172.664 174.600 0.004 0.000 1.146 370 S CA -1.342 56.858 58.200 -0.000 0.000 1.043 370 S CB 1.591 64.793 63.200 0.003 0.000 1.037 370 S HN 0.396 nan 8.310 nan 0.000 0.520 371 P HA 0.347 nan 4.420 nan 0.000 0.271 371 P C -1.168 176.138 177.300 0.010 0.000 1.216 371 P CA -0.328 62.775 63.100 0.006 0.000 0.776 371 P CB 0.368 32.069 31.700 0.002 0.000 0.881 372 M N 2.008 121.620 119.600 0.020 0.000 2.197 372 M HA 0.429 4.911 4.480 0.003 0.000 0.301 372 M C -0.132 176.184 176.300 0.027 0.000 0.987 372 M CA -1.212 54.105 55.300 0.028 0.000 0.921 372 M CB 1.216 33.848 32.600 0.054 0.000 1.569 372 M HN 0.116 nan 8.290 nan 0.000 0.431 373 V N 0.679 120.603 119.914 0.016 0.000 3.139 373 V HA 0.500 4.622 4.120 0.003 0.000 0.307 373 V C -2.178 173.935 176.094 0.031 0.000 1.095 373 V CA -1.122 61.187 62.300 0.015 0.000 1.160 373 V CB -0.827 30.997 31.823 0.000 0.000 1.003 373 V HN 0.817 nan 8.190 nan 0.000 0.489 374 P HA 0.236 nan 4.420 nan 0.000 0.266 374 P C -0.663 176.662 177.300 0.040 0.000 1.186 374 P CA 0.384 63.501 63.100 0.028 0.000 0.767 374 P CB 0.191 31.902 31.700 0.020 0.000 0.820 375 L N 3.986 125.232 121.223 0.038 0.000 2.319 375 L HA 0.572 4.914 4.340 0.003 0.000 0.267 375 L C -1.964 174.922 176.870 0.026 0.000 1.011 375 L CA -2.245 52.621 54.840 0.045 0.000 0.818 375 L CB 1.662 43.746 42.059 0.042 0.000 1.316 375 L HN 0.310 nan 8.230 nan 0.000 0.432 376 P HA 0.091 nan 4.420 nan 0.000 0.272 376 P C -0.830 176.476 177.300 0.010 0.000 1.230 376 P CA -0.592 62.519 63.100 0.017 0.000 0.788 376 P CB 0.806 32.517 31.700 0.018 0.000 0.949 377 M N 3.454 123.062 119.600 0.013 0.000 2.184 377 M HA 0.288 4.770 4.480 0.003 0.000 0.351 377 M C -2.325 173.995 176.300 0.033 0.000 1.395 377 M CA -2.099 53.212 55.300 0.018 0.000 1.117 377 M CB -0.532 32.084 32.600 0.026 0.000 1.708 377 M HN 0.105 nan 8.290 nan 0.000 0.468 378 P HA -0.020 nan 4.420 nan 0.000 0.262 378 P C -1.223 176.168 177.300 0.152 0.000 1.182 378 P CA 0.142 63.289 63.100 0.080 0.000 0.761 378 P CB 0.266 32.003 31.700 0.061 0.000 0.795 379 K N 3.573 124.027 120.400 0.090 0.000 2.401 379 K HA 0.048 4.370 4.320 0.003 0.000 0.278 379 K C 0.049 176.679 176.600 0.049 0.000 1.018 379 K CA -0.200 56.113 56.287 0.043 0.000 0.981 379 K CB 0.368 32.842 32.500 -0.044 0.000 0.933 379 K HN 0.277 nan 8.250 nan 0.000 0.477 380 K N 5.589 125.956 120.400 -0.054 0.000 2.248 380 K HA 0.153 4.475 4.320 0.003 0.000 0.281 380 K C -0.449 175.954 176.600 -0.329 0.000 1.054 380 K CA -0.412 55.659 56.287 -0.360 0.000 0.903 380 K CB 0.538 32.853 32.500 -0.309 0.000 1.077 380 K HN 0.583 nan 8.250 nan 0.000 0.474 381 L N 6.615 127.608 121.223 -0.383 0.000 2.387 381 L HA 0.233 4.574 4.340 0.003 0.000 0.267 381 L C 0.530 177.171 176.870 -0.381 0.000 1.197 381 L CA -0.347 54.289 54.840 -0.340 0.000 1.070 381 L CB -0.196 41.698 42.059 -0.275 0.000 1.349 381 L HN 0.516 nan 8.230 nan 0.000 0.422 382 R N 1.445 121.748 120.500 -0.330 0.000 2.827 382 R HA 0.381 4.723 4.340 0.003 0.000 0.269 382 R C -0.980 175.099 176.300 -0.369 0.000 1.048 382 R CA 0.101 56.065 56.100 -0.226 0.000 1.173 382 R CB 0.579 30.795 30.300 -0.141 0.000 1.070 382 R HN 0.141 nan 8.270 nan 0.000 0.498 383 F N 0.112 120.060 119.950 -0.004 0.000 2.557 383 F HA 0.240 4.768 4.527 0.003 0.000 0.316 383 F C -0.242 175.570 175.800 0.021 0.000 1.141 383 F CA -0.936 57.076 58.000 0.021 0.000 0.922 383 F CB 1.721 40.762 39.000 0.068 0.000 1.194 383 F HN 0.288 nan 8.300 nan 0.000 0.443 384 N N 4.845 123.672 118.700 0.211 0.000 2.437 384 N HA 0.279 5.020 4.740 0.003 0.000 0.243 384 N C -0.565 175.027 175.510 0.137 0.000 1.041 384 N CA -0.195 52.931 53.050 0.127 0.000 0.940 384 N CB 1.048 39.577 38.487 0.070 0.000 1.133 384 N HN 0.306 nan 8.380 nan 0.000 0.506 385 I N 1.703 122.341 120.570 0.112 0.000 2.428 385 I HA 0.198 4.370 4.170 0.003 0.000 0.289 385 I C 1.334 177.486 176.117 0.058 0.000 1.019 385 I CA -0.260 61.091 61.300 0.084 0.000 1.351 385 I CB 0.665 38.707 38.000 0.070 0.000 1.412 385 I HN 0.379 nan 8.210 nan 0.000 0.513 386 T N 2.826 117.410 114.554 0.050 0.000 2.907 386 T HA 0.505 4.856 4.350 0.003 0.000 0.290 386 T C -2.238 172.480 174.700 0.030 0.000 1.066 386 T CA -1.834 60.288 62.100 0.037 0.000 1.012 386 T CB 2.167 71.056 68.868 0.035 0.000 1.184 386 T HN 0.199 nan 8.240 nan 0.000 0.522 387 P HA -0.069 nan 4.420 nan 0.000 0.215 387 P C 1.424 178.736 177.300 0.020 0.000 1.153 387 P CA 1.022 64.133 63.100 0.019 0.000 0.853 387 P CB 0.159 31.868 31.700 0.015 0.000 0.788 388 E N -0.520 119.693 120.200 0.022 0.000 2.051 388 E HA -0.165 4.187 4.350 0.003 0.000 0.192 388 E C 1.963 178.581 176.600 0.031 0.000 0.991 388 E CA 1.030 57.444 56.400 0.024 0.000 0.799 388 E CB -0.452 29.262 29.700 0.024 0.000 0.748 388 E HN 0.154 nan 8.360 nan 0.000 0.449 389 I N 1.021 121.613 120.570 0.037 0.000 2.226 389 I HA -0.293 3.879 4.170 0.003 0.000 0.245 389 I C 2.712 178.846 176.117 0.029 0.000 1.100 389 I CA 1.156 62.483 61.300 0.044 0.000 1.374 389 I CB -0.326 37.706 38.000 0.052 0.000 1.057 389 I HN 0.099 nan 8.210 nan 0.000 0.413 390 K N 1.355 121.769 120.400 0.023 0.000 2.044 390 K HA -0.303 4.018 4.320 0.003 0.000 0.210 390 K C 1.966 178.571 176.600 0.008 0.000 1.049 390 K CA 2.424 58.718 56.287 0.013 0.000 0.927 390 K CB -0.249 32.260 32.500 0.015 0.000 0.713 390 K HN 0.188 nan 8.250 nan 0.000 0.443 391 N N 0.951 119.658 118.700 0.012 0.000 2.104 391 N HA -0.176 4.566 4.740 0.003 0.000 0.190 391 N C 1.282 176.799 175.510 0.010 0.000 1.024 391 N CA 1.992 55.048 53.050 0.009 0.000 0.853 391 N CB -0.145 38.349 38.487 0.012 0.000 1.008 391 N HN 0.237 nan 8.380 nan 0.000 0.424 392 D N 0.023 120.437 120.400 0.022 0.000 2.144 392 D HA -0.099 4.542 4.640 0.003 0.000 0.199 392 D C 1.988 178.292 176.300 0.007 0.000 0.984 392 D CA 0.832 54.852 54.000 0.034 0.000 0.834 392 D CB -0.158 40.685 40.800 0.072 0.000 0.955 392 D HN 0.439 nan 8.370 nan 0.000 0.465 393 I N 1.336 121.901 120.570 -0.009 0.000 2.142 393 I HA -0.220 3.951 4.170 0.003 0.000 0.240 393 I C 2.350 178.439 176.117 -0.047 0.000 1.078 393 I CA 0.982 62.255 61.300 -0.044 0.000 1.343 393 I CB -0.219 37.752 38.000 -0.048 0.000 1.046 393 I HN -0.110 nan 8.210 nan 0.000 0.405 394 E N 1.140 121.322 120.200 -0.029 0.000 2.085 394 E HA -0.207 4.145 4.350 0.003 0.000 0.194 394 E C 2.121 178.704 176.600 -0.028 0.000 0.994 394 E CA 1.113 57.497 56.400 -0.027 0.000 0.801 394 E CB -0.293 29.398 29.700 -0.016 0.000 0.743 394 E HN 0.402 nan 8.360 nan 0.000 0.453 395 K N 0.638 121.026 120.400 -0.020 0.000 2.057 395 K HA -0.040 4.282 4.320 0.003 0.000 0.207 395 K C 2.111 178.692 176.600 -0.032 0.000 1.049 395 K CA 1.116 57.392 56.287 -0.019 0.000 0.931 395 K CB -0.570 31.927 32.500 -0.005 0.000 0.714 395 K HN 0.113 nan 8.250 nan 0.000 0.440 396 A N 1.917 124.710 122.820 -0.045 0.000 1.933 396 A HA -0.199 4.122 4.320 0.003 0.000 0.218 396 A C 2.135 179.671 177.584 -0.079 0.000 1.175 396 A CA 1.683 53.674 52.037 -0.077 0.000 0.628 396 A CB -0.326 18.602 19.000 -0.120 0.000 0.814 396 A HN 0.293 nan 8.150 nan 0.000 0.444 397 K N -0.594 119.765 120.400 -0.068 0.000 2.002 397 K HA -0.202 4.120 4.320 0.003 0.000 0.209 397 K C 2.371 178.944 176.600 -0.045 0.000 1.048 397 K CA 1.815 58.066 56.287 -0.059 0.000 0.930 397 K CB -0.269 32.200 32.500 -0.051 0.000 0.714 397 K HN 0.619 nan 8.250 nan 0.000 0.438 398 Q N 0.614 120.392 119.800 -0.037 0.000 2.061 398 Q HA -0.230 4.112 4.340 0.003 0.000 0.204 398 Q C 2.035 178.015 176.000 -0.034 0.000 0.984 398 Q CA 1.954 57.739 55.803 -0.029 0.000 0.846 398 Q CB -0.284 28.440 28.738 -0.024 0.000 0.902 398 Q HN 0.300 nan 8.270 nan 0.000 0.421 399 N N 0.360 119.037 118.700 -0.038 0.000 2.043 399 N HA -0.202 4.540 4.740 0.003 0.000 0.193 399 N C 1.579 177.057 175.510 -0.053 0.000 1.037 399 N CA 0.964 53.991 53.050 -0.037 0.000 0.851 399 N CB -0.217 38.250 38.487 -0.034 0.000 1.027 399 N HN 0.157 nan 8.380 nan 0.000 0.422 400 L N 0.227 121.404 121.223 -0.078 0.000 2.083 400 L HA -0.034 4.308 4.340 0.003 0.000 0.209 400 L C 2.341 179.150 176.870 -0.101 0.000 1.083 400 L CA 1.666 56.440 54.840 -0.110 0.000 0.752 400 L CB -1.338 40.653 42.059 -0.113 0.000 0.899 400 L HN 0.272 nan 8.230 nan 0.000 0.433 401 S N -0.750 114.913 115.700 -0.062 0.000 2.368 401 S HA -0.158 4.314 4.470 0.003 0.000 0.225 401 S C 2.040 176.611 174.600 -0.049 0.000 1.030 401 S CA 1.580 59.754 58.200 -0.043 0.000 0.999 401 S CB -0.365 62.825 63.200 -0.017 0.000 0.844 401 S HN 0.503 nan 8.310 nan 0.000 0.459 402 I N 0.954 121.501 120.570 -0.039 0.000 2.179 402 I HA -0.223 3.949 4.170 0.003 0.000 0.242 402 I C 2.582 178.683 176.117 -0.026 0.000 1.088 402 I CA 1.458 62.742 61.300 -0.026 0.000 1.357 402 I CB -0.389 37.600 38.000 -0.018 0.000 1.051 402 I HN 0.361 nan 8.210 nan 0.000 0.409 403 M N 0.293 119.869 119.600 -0.040 0.000 2.080 403 M HA -0.241 4.240 4.480 0.003 0.000 0.260 403 M C 2.358 178.593 176.300 -0.109 0.000 1.068 403 M CA 2.080 57.358 55.300 -0.037 0.000 1.109 403 M CB -0.432 32.105 32.600 -0.105 0.000 1.342 403 M HN 0.171 nan 8.290 nan 0.000 0.405 404 I N -0.202 120.236 120.570 -0.220 0.000 2.179 404 I HA -0.316 3.856 4.170 0.003 0.000 0.242 404 I C 2.399 178.420 176.117 -0.160 0.000 1.088 404 I CA 1.513 62.610 61.300 -0.338 0.000 1.357 404 I CB -0.485 37.269 38.000 -0.410 0.000 1.051 404 I HN 0.378 nan 8.210 nan 0.000 0.409 405 Q N -0.131 119.619 119.800 -0.085 0.000 2.291 405 Q HA -0.263 4.078 4.340 0.003 0.000 0.206 405 Q C 1.265 177.263 176.000 -0.003 0.000 0.976 405 Q CA 1.536 57.319 55.803 -0.034 0.000 0.875 405 Q CB -0.141 28.589 28.738 -0.013 0.000 0.927 405 Q HN 0.429 nan 8.270 nan 0.000 0.450 406 D N -0.653 119.759 120.400 0.020 0.000 2.350 406 D HA -0.000 4.641 4.640 0.003 0.000 0.213 406 D C -0.531 175.861 176.300 0.153 0.000 1.031 406 D CA -0.102 53.952 54.000 0.089 0.000 0.861 406 D CB 0.394 41.259 40.800 0.108 0.000 0.926 406 D HN -0.019 nan 8.370 nan 0.000 0.520 407 L N 1.154 122.421 121.223 0.073 0.000 2.276 407 L HA 0.354 4.696 4.340 0.003 0.000 0.286 407 L C -0.981 175.874 176.870 -0.025 0.000 1.061 407 L CA -0.275 54.585 54.840 0.034 0.000 0.807 407 L CB 1.389 43.446 42.059 -0.003 0.000 1.177 407 L HN -0.156 nan 8.230 nan 0.000 0.429 408 D N 5.727 126.093 120.400 -0.057 0.000 2.453 408 D HA 0.379 5.021 4.640 0.003 0.000 0.238 408 D C -0.826 175.432 176.300 -0.070 0.000 1.088 408 D CA -0.111 53.859 54.000 -0.051 0.000 0.854 408 D CB 0.419 41.204 40.800 -0.026 0.000 1.076 408 D HN 0.467 nan 8.370 nan 0.000 0.533 409 I N 2.852 123.372 120.570 -0.083 0.000 2.493 409 I HA 0.443 4.615 4.170 0.003 0.000 0.298 409 I C -0.395 175.670 176.117 -0.087 0.000 0.998 409 I CA -1.112 60.124 61.300 -0.106 0.000 1.137 409 I CB 1.816 39.709 38.000 -0.178 0.000 1.310 409 I HN 0.340 nan 8.210 nan 0.000 0.445 410 M N 7.659 127.215 119.600 -0.074 0.000 2.149 410 M HA 0.448 4.930 4.480 0.003 0.000 0.273 410 M C -1.609 174.672 176.300 -0.032 0.000 0.972 410 M CA -0.520 54.749 55.300 -0.051 0.000 0.984 410 M CB 1.420 33.987 32.600 -0.056 0.000 1.699 410 M HN 0.303 nan 8.290 nan 0.000 0.462 411 M N 5.509 125.094 119.600 -0.025 0.000 2.144 411 M HA 0.510 4.992 4.480 0.003 0.000 0.356 411 M C -1.281 175.075 176.300 0.093 0.000 1.217 411 M CA -0.613 54.699 55.300 0.020 0.000 1.087 411 M CB 0.719 33.303 32.600 -0.027 0.000 1.609 411 M HN 0.801 nan 8.290 nan 0.000 0.467 412 L N 3.523 124.852 121.223 0.176 0.000 2.376 412 L HA 0.550 4.892 4.340 0.003 0.000 0.275 412 L C -0.640 176.430 176.870 0.334 0.000 0.987 412 L CA 0.178 55.161 54.840 0.238 0.000 0.828 412 L CB 1.980 44.178 42.059 0.232 0.000 1.249 412 L HN 0.657 nan 8.230 nan 0.000 0.409 413 T N 5.804 120.524 114.554 0.276 0.000 2.781 413 T HA 0.300 4.652 4.350 0.003 0.000 0.305 413 T C -0.512 174.393 174.700 0.342 0.000 1.001 413 T CA 0.184 62.456 62.100 0.287 0.000 0.950 413 T CB -0.244 68.727 68.868 0.171 0.000 0.955 413 T HN 0.381 nan 8.240 nan 0.000 0.471 414 F N 6.467 126.575 119.950 0.263 0.000 2.464 414 F HA 0.164 4.693 4.527 0.003 0.000 0.353 414 F C 1.795 177.623 175.800 0.048 0.000 1.191 414 F CA -0.762 57.342 58.000 0.173 0.000 1.147 414 F CB 0.193 39.352 39.000 0.265 0.000 1.294 414 F HN 0.685 nan 8.300 nan 0.000 0.583 415 H N 3.800 122.647 119.070 -0.371 0.000 2.525 415 H HA -0.035 4.523 4.556 0.003 0.000 0.275 415 H C 1.346 176.443 175.328 -0.385 0.000 0.984 415 H CA 0.958 56.822 56.048 -0.308 0.000 1.264 415 H CB -0.493 29.067 29.762 -0.336 0.000 1.432 415 H HN 0.639 nan 8.280 nan 0.000 0.549 416 H N 1.508 119.822 119.070 -1.259 0.000 2.357 416 H HA -0.081 4.477 4.556 0.003 0.000 0.296 416 H C 0.455 175.684 175.328 -0.166 0.000 1.108 416 H CA 1.902 57.432 56.048 -0.864 0.000 1.273 416 H CB -0.205 28.855 29.762 -1.170 0.000 1.367 416 H HN 0.494 nan 8.280 nan 0.000 0.498 417 F N -3.365 116.598 119.950 0.022 0.000 2.944 417 F HA 0.557 5.086 4.527 0.003 0.000 0.324 417 F C 0.003 175.996 175.800 0.321 0.000 1.151 417 F CA -0.572 57.544 58.000 0.193 0.000 0.883 417 F CB 0.722 39.830 39.000 0.180 0.000 1.341 417 F HN 0.003 nan 8.300 nan 0.000 0.456 418 G N 0.417 109.547 108.800 0.551 0.000 3.340 418 G HA2 0.337 4.298 3.960 0.003 0.000 0.176 418 G HA3 0.337 4.298 3.960 0.003 0.000 0.176 418 G C -0.281 174.810 174.900 0.319 0.000 1.103 418 G CA -0.630 44.663 45.100 0.323 0.000 0.779 418 G HN 0.661 nan 8.290 nan 0.000 0.673 419 K N 0.701 121.189 120.400 0.147 0.000 2.362 419 K HA -0.029 4.293 4.320 0.003 0.000 0.200 419 K C 2.030 178.657 176.600 0.045 0.000 1.046 419 K CA 1.399 57.733 56.287 0.079 0.000 0.952 419 K CB 0.004 32.531 32.500 0.045 0.000 0.753 419 K HN 0.509 nan 8.250 nan 0.000 0.466 420 D N 1.152 121.607 120.400 0.093 0.000 2.116 420 D HA -0.255 4.387 4.640 0.003 0.000 0.193 420 D C 1.751 178.039 176.300 -0.021 0.000 0.998 420 D CA 1.248 55.280 54.000 0.053 0.000 0.836 420 D CB -0.674 40.188 40.800 0.104 0.000 0.951 420 D HN 0.189 nan 8.370 nan 0.000 0.449 421 F N 1.918 121.760 119.950 -0.179 0.000 2.084 421 F HA 0.067 4.596 4.527 0.003 0.000 0.296 421 F C -0.907 174.667 175.800 -0.376 0.000 1.111 421 F CA 0.469 58.239 58.000 -0.384 0.000 1.224 421 F CB -1.260 37.212 39.000 -0.880 0.000 0.991 421 F HN -0.028 nan 8.300 nan 0.000 0.471 422 P HA -0.212 nan 4.420 nan 0.000 0.216 422 P C 1.298 178.362 177.300 -0.393 0.000 1.153 422 P CA 2.362 65.095 63.100 -0.612 0.000 0.858 422 P CB -0.138 31.320 31.700 -0.404 0.000 0.789 423 K N -0.275 119.970 120.400 -0.258 0.000 2.097 423 K HA -0.090 4.232 4.320 0.003 0.000 0.206 423 K C 2.258 178.740 176.600 -0.198 0.000 1.049 423 K CA 1.903 58.090 56.287 -0.166 0.000 0.933 423 K CB -0.640 31.806 32.500 -0.090 0.000 0.717 423 K HN 0.236 nan 8.250 nan 0.000 0.442 424 S N 1.079 116.619 115.700 -0.267 0.000 2.442 424 S HA -0.088 4.384 4.470 0.003 0.000 0.236 424 S C 1.478 175.908 174.600 -0.283 0.000 1.007 424 S CA 0.911 58.969 58.200 -0.236 0.000 0.965 424 S CB -0.002 63.067 63.200 -0.217 0.000 0.773 424 S HN 0.174 nan 8.310 nan 0.000 0.504 425 E N 0.740 120.690 120.200 -0.417 0.000 2.474 425 E HA 0.151 4.503 4.350 0.003 0.000 0.195 425 E C -0.239 176.254 176.600 -0.180 0.000 1.039 425 E CA -0.020 56.181 56.400 -0.331 0.000 0.881 425 E CB 0.108 29.517 29.700 -0.484 0.000 0.970 425 E HN 0.304 nan 8.360 nan 0.000 0.486 426 K N -0.037 120.272 120.400 -0.152 0.000 3.181 426 K HA -0.167 4.155 4.320 0.003 0.000 0.269 426 K C -0.500 176.063 176.600 -0.062 0.000 1.097 426 K CA 0.483 56.720 56.287 -0.085 0.000 0.783 426 K CB -2.188 30.277 32.500 -0.057 0.000 1.267 426 K HN 0.203 nan 8.250 nan 0.000 0.484 427 L N -0.241 120.937 121.223 -0.075 0.000 2.401 427 L HA 0.353 4.695 4.340 0.003 0.000 0.266 427 L C 0.633 177.507 176.870 0.006 0.000 0.991 427 L CA -0.938 53.894 54.840 -0.014 0.000 0.818 427 L CB 2.062 44.136 42.059 0.026 0.000 1.321 427 L HN 0.103 nan 8.230 nan 0.000 0.413 428 S N 2.333 118.065 115.700 0.054 0.000 2.498 428 S HA 0.173 4.644 4.470 0.003 0.000 0.281 428 S C -1.683 172.980 174.600 0.106 0.000 1.265 428 S CA -0.917 57.327 58.200 0.074 0.000 1.071 428 S CB 0.900 64.162 63.200 0.104 0.000 0.894 428 S HN 0.368 nan 8.310 nan 0.000 0.491 429 P HA -0.114 nan 4.420 nan 0.000 0.215 429 P C 0.983 178.388 177.300 0.174 0.000 1.157 429 P CA 1.214 64.374 63.100 0.101 0.000 0.874 429 P CB 0.077 31.819 31.700 0.069 0.000 0.790 430 D N -0.917 119.584 120.400 0.167 0.000 2.117 430 D HA -0.148 4.494 4.640 0.003 0.000 0.197 430 D C 1.891 178.241 176.300 0.083 0.000 0.987 430 D CA 1.457 55.578 54.000 0.202 0.000 0.829 430 D CB -0.626 40.308 40.800 0.223 0.000 0.961 430 D HN -0.029 nan 8.370 nan 0.000 0.460 431 A N -0.608 122.246 122.820 0.057 0.000 1.930 431 A HA -0.089 4.233 4.320 0.003 0.000 0.217 431 A C 2.111 179.635 177.584 -0.100 0.000 1.175 431 A CA 1.038 52.978 52.037 -0.162 0.000 0.627 431 A CB -1.089 17.965 19.000 0.090 0.000 0.815 431 A HN 0.433 nan 8.150 nan 0.000 0.443 432 F N 0.776 120.678 119.950 -0.081 0.000 2.102 432 F HA -0.156 4.372 4.527 0.003 0.000 0.298 432 F C 1.960 177.729 175.800 -0.052 0.000 1.105 432 F CA 1.788 59.761 58.000 -0.045 0.000 1.239 432 F CB -0.230 38.792 39.000 0.036 0.000 0.991 432 F HN 0.181 nan 8.300 nan 0.000 0.474 433 I N -0.008 120.721 120.570 0.265 0.000 2.226 433 I HA -0.303 3.869 4.170 0.003 0.000 0.245 433 I C 2.440 178.495 176.117 -0.104 0.000 1.100 433 I CA 1.061 62.402 61.300 0.068 0.000 1.374 433 I CB -0.629 37.326 38.000 -0.076 0.000 1.057 433 I HN 0.228 nan 8.210 nan 0.000 0.413 434 Q N 0.319 120.029 119.800 -0.149 0.000 2.084 434 Q HA -0.140 4.202 4.340 0.003 0.000 0.202 434 Q C 2.526 178.433 176.000 -0.156 0.000 0.978 434 Q CA 1.378 57.070 55.803 -0.184 0.000 0.844 434 Q CB -0.529 27.938 28.738 -0.452 0.000 0.898 434 Q HN 0.395 nan 8.270 nan 0.000 0.426 435 V N 1.277 121.067 119.914 -0.207 0.000 2.407 435 V HA -0.262 3.860 4.120 0.003 0.000 0.248 435 V C 2.399 178.465 176.094 -0.046 0.000 1.055 435 V CA 1.710 63.935 62.300 -0.124 0.000 1.049 435 V CB -1.045 30.631 31.823 -0.246 0.000 0.662 435 V HN 0.330 nan 8.190 nan 0.000 0.455 436 A N -0.180 122.553 122.820 -0.144 0.000 1.902 436 A HA -0.215 4.107 4.320 0.003 0.000 0.217 436 A C 2.162 179.728 177.584 -0.030 0.000 1.181 436 A CA 2.118 54.099 52.037 -0.093 0.000 0.623 436 A CB -0.582 18.327 19.000 -0.152 0.000 0.818 436 A HN 0.459 nan 8.150 nan 0.000 0.443 437 L N -0.524 120.667 121.223 -0.054 0.000 2.046 437 L HA -0.185 4.157 4.340 0.003 0.000 0.208 437 L C 2.378 179.295 176.870 0.078 0.000 1.077 437 L CA 2.121 56.950 54.840 -0.019 0.000 0.747 437 L CB -0.657 41.386 42.059 -0.026 0.000 0.896 437 L HN 0.358 nan 8.230 nan 0.000 0.432 438 Q N -0.711 119.141 119.800 0.087 0.000 2.084 438 Q HA -0.197 4.145 4.340 0.003 0.000 0.202 438 Q C 2.272 178.394 176.000 0.203 0.000 0.978 438 Q CA 1.790 57.682 55.803 0.150 0.000 0.844 438 Q CB -0.718 28.094 28.738 0.123 0.000 0.898 438 Q HN 0.497 nan 8.270 nan 0.000 0.426 439 L N 0.669 121.987 121.223 0.159 0.000 2.017 439 L HA -0.076 4.266 4.340 0.003 0.000 0.208 439 L C 2.157 179.130 176.870 0.173 0.000 1.073 439 L CA 2.129 57.048 54.840 0.132 0.000 0.745 439 L CB -0.980 41.138 42.059 0.098 0.000 0.894 439 L HN 0.123 nan 8.230 nan 0.000 0.432 440 A N -1.293 121.616 122.820 0.148 0.000 1.883 440 A HA -0.321 4.001 4.320 0.003 0.000 0.217 440 A C 2.336 179.984 177.584 0.106 0.000 1.186 440 A CA 2.092 54.222 52.037 0.155 0.000 0.624 440 A CB -1.335 17.720 19.000 0.093 0.000 0.822 440 A HN 0.630 nan 8.150 nan 0.000 0.444 441 Y N -1.608 118.732 120.300 0.066 0.000 2.145 441 Y HA -0.270 4.282 4.550 0.003 0.000 0.286 441 Y C 2.300 178.308 175.900 0.179 0.000 1.145 441 Y CA 2.238 60.420 58.100 0.137 0.000 1.148 441 Y CB -0.592 37.973 38.460 0.175 0.000 0.981 441 Y HN 0.430 nan 8.280 nan 0.000 0.507 442 Y N 0.868 121.287 120.300 0.198 0.000 2.224 442 Y HA -0.227 4.325 4.550 0.003 0.000 0.289 442 Y C 2.448 178.333 175.900 -0.024 0.000 1.146 442 Y CA 1.828 59.992 58.100 0.107 0.000 1.182 442 Y CB -0.328 38.187 38.460 0.092 0.000 0.983 442 Y HN 0.034 nan 8.280 nan 0.000 0.524 443 R N -0.405 120.108 120.500 0.021 0.000 2.115 443 R HA -0.115 4.227 4.340 0.003 0.000 0.230 443 R C 2.143 178.280 176.300 -0.273 0.000 1.111 443 R CA 1.760 57.839 56.100 -0.036 0.000 0.976 443 R CB -0.254 30.164 30.300 0.197 0.000 0.870 443 R HN 0.406 nan 8.270 nan 0.000 0.445 444 I N -1.237 118.997 120.570 -0.560 0.000 2.296 444 I HA -0.200 3.972 4.170 0.003 0.000 0.242 444 I C 1.206 176.773 176.117 -0.916 0.000 1.087 444 I CA 1.257 61.984 61.300 -0.955 0.000 1.393 444 I CB -0.007 37.185 38.000 -1.347 0.000 1.093 444 I HN 0.126 nan 8.210 nan 0.000 0.421 445 Y N 0.372 120.365 120.300 -0.511 0.000 2.449 445 Y HA 0.324 4.876 4.550 0.003 0.000 0.254 445 Y C 1.768 177.457 175.900 -0.351 0.000 1.140 445 Y CA 0.302 58.159 58.100 -0.405 0.000 1.272 445 Y CB 0.203 38.375 38.460 -0.480 0.000 1.114 445 Y HN 0.262 nan 8.280 nan 0.000 0.525 446 G N 1.219 109.757 108.800 -0.437 0.000 2.179 446 G HA2 -0.267 3.694 3.960 0.003 0.000 0.257 446 G HA3 -0.267 3.694 3.960 0.003 0.000 0.257 446 G C -0.094 174.484 174.900 -0.536 0.000 1.010 446 G CA 0.613 45.291 45.100 -0.704 0.000 0.736 446 G HN 0.506 nan 8.290 nan 0.000 0.513 447 Q N -1.963 117.743 119.800 -0.157 0.000 2.527 447 Q HA 0.763 5.105 4.340 0.003 0.000 0.280 447 Q C -0.293 176.032 176.000 0.542 0.000 0.977 447 Q CA -0.530 55.457 55.803 0.306 0.000 0.837 447 Q CB 0.864 29.721 28.738 0.197 0.000 1.454 447 Q HN 1.330 nan 8.270 nan 0.000 0.387 448 A N 0.663 123.764 122.820 0.467 0.000 2.259 448 A HA 0.822 5.144 4.320 0.003 0.000 0.278 448 A C 0.184 177.904 177.584 0.228 0.000 1.107 448 A CA 0.229 52.476 52.037 0.350 0.000 0.828 448 A CB 0.402 19.524 19.000 0.203 0.000 1.111 448 A HN 1.257 nan 8.150 nan 0.000 0.498 449 C N -2.320 116.997 119.300 0.029 0.000 3.239 449 C HA 0.824 5.286 4.460 0.003 0.000 0.317 449 C C 0.291 175.268 174.990 -0.022 0.000 1.310 449 C CA -0.491 58.493 59.018 -0.056 0.000 1.371 449 C CB 0.731 28.282 27.740 -0.314 0.000 1.714 449 C HN 1.868 nan 8.230 nan 0.000 0.473 450 A N 1.952 124.791 122.820 0.032 0.000 2.545 450 A HA 0.513 4.835 4.320 0.003 0.000 0.253 450 A C 0.416 178.174 177.584 0.290 0.000 1.074 450 A CA 0.787 52.896 52.037 0.120 0.000 0.760 450 A CB -0.556 18.397 19.000 -0.078 0.000 1.005 450 A HN 1.033 nan 8.150 nan 0.000 0.506 451 T N 2.703 117.466 114.554 0.348 0.000 2.824 451 T HA 0.488 4.840 4.350 0.003 0.000 0.282 451 T C -0.998 173.825 174.700 0.205 0.000 0.993 451 T CA -0.040 62.224 62.100 0.274 0.000 0.967 451 T CB 0.870 69.800 68.868 0.103 0.000 0.960 451 T HN 0.521 nan 8.240 nan 0.000 0.441 452 Y N 2.192 122.379 120.300 -0.188 0.000 2.364 452 Y HA 0.579 5.131 4.550 0.003 0.000 0.340 452 Y C -0.218 175.532 175.900 -0.250 0.000 0.975 452 Y CA -0.751 57.000 58.100 -0.583 0.000 1.089 452 Y CB 1.174 38.826 38.460 -1.346 0.000 1.192 452 Y HN 0.658 nan 8.280 nan 0.000 0.454 453 E N 4.168 124.072 120.200 -0.494 0.000 2.246 453 E HA 0.342 4.694 4.350 0.003 0.000 0.266 453 E C -1.296 175.034 176.600 -0.450 0.000 0.880 453 E CA -0.750 55.522 56.400 -0.213 0.000 0.762 453 E CB 1.427 31.095 29.700 -0.053 0.000 1.180 453 E HN 0.697 nan 8.360 nan 0.000 0.416 454 S N 2.069 117.682 115.700 -0.145 0.000 2.544 454 S HA 0.314 4.786 4.470 0.003 0.000 0.290 454 S C -0.344 174.178 174.600 -0.130 0.000 1.276 454 S CA 0.078 58.218 58.200 -0.100 0.000 1.075 454 S CB 0.796 64.048 63.200 0.087 0.000 0.849 454 S HN 0.534 nan 8.310 nan 0.000 0.494 455 A N 3.106 125.829 122.820 -0.163 0.000 2.343 455 A HA 0.649 4.971 4.320 0.003 0.000 0.316 455 A C 0.083 177.625 177.584 -0.070 0.000 1.104 455 A CA -0.661 51.310 52.037 -0.109 0.000 0.768 455 A CB 1.279 20.199 19.000 -0.133 0.000 1.213 455 A HN 0.635 nan 8.150 nan 0.000 0.456 456 S N 1.718 117.399 115.700 -0.032 0.000 2.528 456 S HA 0.411 4.883 4.470 0.003 0.000 0.277 456 S C 0.349 174.946 174.600 -0.005 0.000 1.297 456 S CA -0.357 57.833 58.200 -0.016 0.000 1.052 456 S CB -0.024 63.173 63.200 -0.005 0.000 0.917 456 S HN 0.606 nan 8.310 nan 0.000 0.492 457 L N 5.306 126.532 121.223 0.005 0.000 2.910 457 L HA 0.326 4.668 4.340 0.003 0.000 0.252 457 L C 1.878 178.800 176.870 0.087 0.000 1.195 457 L CA -0.095 54.797 54.840 0.087 0.000 1.003 457 L CB -0.024 42.076 42.059 0.068 0.000 1.328 457 L HN 0.666 nan 8.230 nan 0.000 0.540 458 R N 0.654 121.160 120.500 0.009 0.000 2.341 458 R HA -0.130 4.212 4.340 0.003 0.000 0.213 458 R C 2.150 178.405 176.300 -0.074 0.000 1.082 458 R CA 1.056 57.151 56.100 -0.008 0.000 1.017 458 R CB -0.229 30.069 30.300 -0.004 0.000 0.860 458 R HN 0.509 nan 8.270 nan 0.000 0.473 459 M N -1.416 118.058 119.600 -0.209 0.000 2.630 459 M HA 0.072 4.554 4.480 0.003 0.000 0.254 459 M C -0.380 175.601 176.300 -0.532 0.000 1.092 459 M CA 1.242 56.305 55.300 -0.396 0.000 1.087 459 M CB 0.191 32.463 32.600 -0.546 0.000 1.453 459 M HN -0.217 nan 8.290 nan 0.000 0.509 460 F N 0.251 120.195 119.950 -0.010 0.000 2.492 460 F HA 0.368 4.897 4.527 0.003 0.000 0.327 460 F C 0.737 176.548 175.800 0.018 0.000 1.079 460 F CA -1.232 56.769 58.000 0.001 0.000 0.967 460 F CB 0.535 39.527 39.000 -0.013 0.000 1.169 460 F HN 0.001 nan 8.300 nan 0.000 0.472 461 H N 4.098 123.245 119.070 0.129 0.000 3.157 461 H HA 0.004 4.562 4.556 0.003 0.000 0.299 461 H C 0.777 176.127 175.328 0.036 0.000 0.961 461 H CA 0.604 56.676 56.048 0.040 0.000 1.428 461 H CB 0.323 30.095 29.762 0.018 0.000 1.459 461 H HN 0.857 nan 8.280 nan 0.000 0.566 462 L N 2.907 123.948 121.223 -0.304 0.000 4.625 462 L HA -0.247 4.095 4.340 0.003 0.000 0.428 462 L C 1.080 177.879 176.870 -0.119 0.000 1.129 462 L CA 0.636 55.310 54.840 -0.278 0.000 0.978 462 L CB -1.712 40.079 42.059 -0.447 0.000 2.043 462 L HN 0.791 nan 8.230 nan 0.000 0.847 463 G N -0.212 108.567 108.800 -0.036 0.000 2.432 463 G HA2 0.315 4.277 3.960 0.003 0.000 0.239 463 G HA3 0.315 4.277 3.960 0.003 0.000 0.239 463 G C 0.773 175.657 174.900 -0.026 0.000 1.291 463 G CA -0.233 44.861 45.100 -0.010 0.000 0.863 463 G HN 0.115 nan 8.290 nan 0.000 0.560 464 R N 0.304 120.765 120.500 -0.065 0.000 1.792 464 R HA 0.363 4.705 4.340 0.003 0.000 0.139 464 R C 1.054 177.311 176.300 -0.071 0.000 2.091 464 R CA 1.046 57.130 56.100 -0.026 0.000 1.697 464 R CB -0.534 29.793 30.300 0.045 0.000 1.340 464 R HN 0.707 nan 8.270 nan 0.000 0.481 465 T N -1.363 113.060 114.554 -0.218 0.000 2.841 465 T HA 0.559 4.911 4.350 0.003 0.000 0.296 465 T C -0.956 173.509 174.700 -0.392 0.000 1.166 465 T CA -0.814 61.150 62.100 -0.226 0.000 1.007 465 T CB 2.961 71.765 68.868 -0.108 0.000 1.253 465 T HN 0.059 nan 8.240 nan 0.000 0.511 466 D N -0.768 119.460 120.400 -0.287 0.000 2.636 466 D HA 0.551 5.193 4.640 0.003 0.000 0.275 466 D C -1.077 175.017 176.300 -0.343 0.000 1.130 466 D CA -0.259 53.561 54.000 -0.301 0.000 1.031 466 D CB 2.675 43.369 40.800 -0.176 0.000 1.451 466 D HN 0.676 nan 8.370 nan 0.000 0.505 467 T N 1.007 115.346 114.554 -0.358 0.000 2.779 467 T HA 0.540 4.892 4.350 0.003 0.000 0.280 467 T C 0.144 174.577 174.700 -0.445 0.000 0.987 467 T CA -0.412 61.348 62.100 -0.566 0.000 0.966 467 T CB 0.676 69.235 68.868 -0.514 0.000 0.933 467 T HN 0.155 nan 8.240 nan 0.000 0.442 468 I N 3.285 123.500 120.570 -0.591 0.000 2.336 468 I HA 0.393 4.564 4.170 0.003 0.000 0.292 468 I C 0.470 176.130 176.117 -0.761 0.000 0.991 468 I CA -0.730 60.149 61.300 -0.701 0.000 1.227 468 I CB 1.324 39.004 38.000 -0.534 0.000 1.366 468 I HN 0.326 nan 8.210 nan 0.000 0.466 469 R N 4.078 123.945 120.500 -1.055 0.000 2.233 469 R HA 0.264 4.605 4.340 0.003 0.000 0.334 469 R C 0.789 176.883 176.300 -0.344 0.000 1.037 469 R CA -0.213 55.617 56.100 -0.449 0.000 0.920 469 R CB 1.119 31.369 30.300 -0.083 0.000 1.137 469 R HN 0.624 nan 8.270 nan 0.000 0.492 470 S N 1.527 117.161 115.700 -0.110 0.000 2.447 470 S HA -0.072 4.400 4.470 0.003 0.000 0.233 470 S C 0.934 175.591 174.600 0.094 0.000 1.006 470 S CA 0.631 58.882 58.200 0.085 0.000 0.957 470 S CB 0.239 63.514 63.200 0.125 0.000 0.773 470 S HN 0.670 nan 8.310 nan 0.000 0.507 471 A N 2.291 125.161 122.820 0.082 0.000 2.310 471 A HA 0.602 4.924 4.320 0.003 0.000 0.300 471 A C 0.501 178.160 177.584 0.126 0.000 1.269 471 A CA -0.523 51.576 52.037 0.103 0.000 0.909 471 A CB 0.212 19.274 19.000 0.103 0.000 1.144 471 A HN 0.358 nan 8.150 nan 0.000 0.540 472 S N 1.873 117.647 115.700 0.124 0.000 2.806 472 S HA 0.606 5.078 4.470 0.003 0.000 0.306 472 S C 0.764 175.426 174.600 0.103 0.000 1.167 472 S CA -0.604 57.681 58.200 0.142 0.000 0.847 472 S CB 0.406 63.705 63.200 0.165 0.000 1.216 472 S HN 0.398 nan 8.310 nan 0.000 0.532 473 I N 1.030 121.658 120.570 0.097 0.000 2.252 473 I HA -0.137 4.035 4.170 0.003 0.000 0.245 473 I C 1.589 177.737 176.117 0.051 0.000 1.102 473 I CA 1.389 62.722 61.300 0.055 0.000 1.385 473 I CB -0.347 37.680 38.000 0.045 0.000 1.064 473 I HN 0.643 nan 8.210 nan 0.000 0.414 474 D N 0.240 120.684 120.400 0.073 0.000 2.194 474 D HA -0.115 4.527 4.640 0.003 0.000 0.204 474 D C 2.367 178.724 176.300 0.096 0.000 0.964 474 D CA 1.639 55.683 54.000 0.073 0.000 0.846 474 D CB -0.079 40.765 40.800 0.072 0.000 0.962 474 D HN 0.349 nan 8.370 nan 0.000 0.490 475 S N 0.841 116.603 115.700 0.103 0.000 2.368 475 S HA -0.130 4.342 4.470 0.003 0.000 0.224 475 S C 2.055 176.711 174.600 0.092 0.000 1.029 475 S CA 0.413 58.693 58.200 0.134 0.000 0.988 475 S CB -0.485 62.786 63.200 0.119 0.000 0.838 475 S HN 0.131 nan 8.310 nan 0.000 0.462 476 L N 2.186 123.423 121.223 0.023 0.000 2.083 476 L HA 0.218 4.560 4.340 0.003 0.000 0.209 476 L C 2.690 179.484 176.870 -0.126 0.000 1.083 476 L CA 1.636 56.424 54.840 -0.087 0.000 0.752 476 L CB -1.292 40.737 42.059 -0.049 0.000 0.899 476 L HN 0.392 nan 8.230 nan 0.000 0.433 477 A N -1.116 121.686 122.820 -0.029 0.000 1.972 477 A HA -0.234 4.088 4.320 0.003 0.000 0.219 477 A C 2.198 179.781 177.584 -0.002 0.000 1.169 477 A CA 1.723 53.747 52.037 -0.021 0.000 0.635 477 A CB -1.012 18.001 19.000 0.021 0.000 0.810 477 A HN 0.555 nan 8.150 nan 0.000 0.446 478 F N 1.323 121.220 119.950 -0.089 0.000 2.098 478 F HA -0.121 4.408 4.527 0.003 0.000 0.294 478 F C 2.310 178.045 175.800 -0.107 0.000 1.107 478 F CA 1.960 59.913 58.000 -0.079 0.000 1.234 478 F CB -0.717 38.245 39.000 -0.064 0.000 1.002 478 F HN 0.112 nan 8.300 nan 0.000 0.472 479 V N -0.644 118.941 119.914 -0.549 0.000 2.392 479 V HA -0.270 3.851 4.120 0.003 0.000 0.249 479 V C 2.265 178.012 176.094 -0.577 0.000 1.059 479 V CA 2.230 64.128 62.300 -0.670 0.000 1.051 479 V CB -1.201 30.318 31.823 -0.508 0.000 0.658 479 V HN 0.375 nan 8.190 nan 0.000 0.455 480 K N 1.229 121.310 120.400 -0.532 0.000 2.001 480 K HA 0.037 4.359 4.320 0.003 0.000 0.208 480 K C 2.390 178.892 176.600 -0.164 0.000 1.048 480 K CA 1.494 57.598 56.287 -0.305 0.000 0.932 480 K CB -0.883 31.483 32.500 -0.224 0.000 0.715 480 K HN 0.585 nan 8.250 nan 0.000 0.437 481 G N 1.253 109.953 108.800 -0.166 0.000 2.448 481 G HA2 -0.266 3.696 3.960 0.003 0.000 0.219 481 G HA3 -0.266 3.696 3.960 0.003 0.000 0.219 481 G C 1.445 176.267 174.900 -0.129 0.000 1.127 481 G CA 0.704 45.745 45.100 -0.099 0.000 0.766 481 G HN 0.148 nan 8.290 nan 0.000 0.552 482 M N 1.525 120.951 119.600 -0.290 0.000 2.117 482 M HA 0.127 4.608 4.480 0.003 0.000 0.262 482 M C 2.229 178.447 176.300 -0.137 0.000 1.065 482 M CA 1.727 56.849 55.300 -0.296 0.000 1.114 482 M CB -0.481 31.708 32.600 -0.685 0.000 1.361 482 M HN 0.073 nan 8.290 nan 0.000 0.408 483 G N -0.906 107.834 108.800 -0.099 0.000 3.141 483 G HA2 -0.018 3.944 3.960 0.003 0.000 0.218 483 G HA3 -0.018 3.944 3.960 0.003 0.000 0.218 483 G C -0.187 174.714 174.900 0.000 0.000 1.170 483 G CA -0.179 44.911 45.100 -0.016 0.000 0.769 483 G HN 0.404 nan 8.290 nan 0.000 0.546 484 D N 1.368 121.759 120.400 -0.015 0.000 2.365 484 D HA 0.132 4.774 4.640 0.003 0.000 0.237 484 D C 1.625 177.925 176.300 -0.000 0.000 1.190 484 D CA -0.182 53.817 54.000 -0.002 0.000 0.867 484 D CB 1.065 41.860 40.800 -0.008 0.000 1.050 484 D HN 0.128 nan 8.370 nan 0.000 0.491 485 S N 1.435 117.138 115.700 0.005 0.000 2.727 485 S HA -0.101 4.371 4.470 0.003 0.000 0.226 485 S C 1.346 175.951 174.600 0.008 0.000 0.963 485 S CA 0.602 58.806 58.200 0.007 0.000 0.950 485 S CB -0.412 62.792 63.200 0.007 0.000 0.779 485 S HN 0.492 nan 8.310 nan 0.000 0.532 486 T N -2.276 112.282 114.554 0.006 0.000 3.040 486 T HA 0.381 4.733 4.350 0.003 0.000 0.266 486 T C 0.108 174.811 174.700 0.005 0.000 1.005 486 T CA -0.298 61.806 62.100 0.006 0.000 0.906 486 T CB 0.066 68.937 68.868 0.005 0.000 1.082 486 T HN 0.144 nan 8.240 nan 0.000 0.531 487 V N 3.539 123.455 119.914 0.004 0.000 2.398 487 V HA 0.450 4.572 4.120 0.003 0.000 0.286 487 V C -2.403 173.693 176.094 0.004 0.000 1.026 487 V CA -2.255 60.046 62.300 0.002 0.000 0.868 487 V CB 1.381 33.203 31.823 -0.002 0.000 0.982 487 V HN 0.222 nan 8.190 nan 0.000 0.443 488 P HA 0.084 nan 4.420 nan 0.000 0.265 488 P C 0.868 178.153 177.300 -0.025 0.000 1.193 488 P CA 0.098 63.194 63.100 -0.007 0.000 0.765 488 P CB 0.614 32.304 31.700 -0.018 0.000 0.823 489 E N 1.659 121.851 120.200 -0.014 0.000 2.160 489 E HA -0.272 4.080 4.350 0.003 0.000 0.195 489 E C 1.456 177.908 176.600 -0.247 0.000 0.991 489 E CA 1.416 57.800 56.400 -0.028 0.000 0.810 489 E CB -0.040 29.773 29.700 0.189 0.000 0.742 489 E HN 0.535 nan 8.360 nan 0.000 0.466 490 Q N 0.299 119.872 119.800 -0.379 0.000 2.170 490 Q HA -0.206 4.136 4.340 0.003 0.000 0.203 490 Q C 1.932 177.836 176.000 -0.161 0.000 0.976 490 Q CA 1.236 56.801 55.803 -0.395 0.000 0.858 490 Q CB -0.154 28.433 28.738 -0.251 0.000 0.907 490 Q HN 0.106 nan 8.270 nan 0.000 0.433 491 Q N 0.877 120.624 119.800 -0.088 0.000 2.096 491 Q HA -0.044 4.298 4.340 0.003 0.000 0.197 491 Q C 1.377 177.385 176.000 0.013 0.000 0.964 491 Q CA 1.468 57.254 55.803 -0.028 0.000 0.838 491 Q CB 0.146 28.876 28.738 -0.013 0.000 0.906 491 Q HN 0.309 nan 8.270 nan 0.000 0.444 492 K N -0.704 119.714 120.400 0.030 0.000 2.147 492 K HA -0.091 4.231 4.320 0.003 0.000 0.205 492 K C 1.975 178.667 176.600 0.153 0.000 1.049 492 K CA 1.352 57.714 56.287 0.126 0.000 0.936 492 K CB -0.143 32.432 32.500 0.126 0.000 0.722 492 K HN 0.050 nan 8.250 nan 0.000 0.446 493 V N 2.094 122.041 119.914 0.057 0.000 2.295 493 V HA -0.260 3.862 4.120 0.003 0.000 0.246 493 V C 2.045 178.144 176.094 0.008 0.000 1.049 493 V CA 1.850 64.172 62.300 0.037 0.000 1.024 493 V CB -0.467 31.356 31.823 0.000 0.000 0.648 493 V HN 0.345 nan 8.190 nan 0.000 0.447 494 E N 0.109 120.312 120.200 0.005 0.000 2.051 494 E HA -0.213 4.139 4.350 0.003 0.000 0.192 494 E C 2.244 178.848 176.600 0.006 0.000 0.991 494 E CA 1.402 57.802 56.400 0.001 0.000 0.799 494 E CB -0.283 29.418 29.700 0.003 0.000 0.748 494 E HN 0.490 nan 8.360 nan 0.000 0.449 495 L N 0.856 122.110 121.223 0.052 0.000 2.079 495 L HA -0.200 4.142 4.340 0.003 0.000 0.210 495 L C 2.624 179.481 176.870 -0.021 0.000 1.081 495 L CA 0.769 55.667 54.840 0.096 0.000 0.752 495 L CB -0.375 41.821 42.059 0.227 0.000 0.896 495 L HN 0.211 nan 8.230 nan 0.000 0.433 496 L N -0.234 120.883 121.223 -0.177 0.000 1.994 496 L HA -0.227 4.115 4.340 0.003 0.000 0.208 496 L C 2.940 179.575 176.870 -0.391 0.000 1.071 496 L CA 1.446 55.845 54.840 -0.735 0.000 0.745 496 L CB -0.182 41.498 42.059 -0.631 0.000 0.892 496 L HN 0.147 nan 8.230 nan 0.000 0.431 497 R N -0.218 120.174 120.500 -0.180 0.000 2.096 497 R HA -0.229 4.113 4.340 0.003 0.000 0.235 497 R C 2.355 178.615 176.300 -0.067 0.000 1.127 497 R CA 1.796 57.839 56.100 -0.095 0.000 0.968 497 R CB -0.306 29.969 30.300 -0.042 0.000 0.861 497 R HN 0.337 nan 8.270 nan 0.000 0.440 498 K N 0.612 120.981 120.400 -0.053 0.000 2.097 498 K HA -0.083 4.239 4.320 0.003 0.000 0.205 498 K C 2.046 178.640 176.600 -0.009 0.000 1.050 498 K CA 1.241 57.520 56.287 -0.014 0.000 0.938 498 K CB -0.038 32.465 32.500 0.007 0.000 0.718 498 K HN 0.159 nan 8.250 nan 0.000 0.442 499 A N 0.391 123.178 122.820 -0.055 0.000 1.902 499 A HA -0.102 4.220 4.320 0.003 0.000 0.217 499 A C 2.206 179.781 177.584 -0.014 0.000 1.181 499 A CA 1.591 53.608 52.037 -0.033 0.000 0.623 499 A CB -0.636 18.302 19.000 -0.104 0.000 0.818 499 A HN 0.150 nan 8.150 nan 0.000 0.443 500 V N 0.027 119.894 119.914 -0.078 0.000 2.295 500 V HA -0.260 3.862 4.120 0.003 0.000 0.246 500 V C 2.740 178.873 176.094 0.067 0.000 1.049 500 V CA 2.039 64.328 62.300 -0.017 0.000 1.024 500 V CB -0.761 31.039 31.823 -0.038 0.000 0.648 500 V HN 0.527 nan 8.190 nan 0.000 0.447 501 Q N -0.165 119.660 119.800 0.041 0.000 2.124 501 Q HA -0.109 4.232 4.340 0.003 0.000 0.202 501 Q C 2.428 178.477 176.000 0.082 0.000 0.977 501 Q CA 1.853 57.690 55.803 0.058 0.000 0.850 501 Q CB -0.722 28.037 28.738 0.035 0.000 0.901 501 Q HN 0.656 nan 8.270 nan 0.000 0.429 502 A N 0.582 123.455 122.820 0.088 0.000 1.933 502 A HA -0.217 4.104 4.320 0.003 0.000 0.218 502 A C 2.019 179.689 177.584 0.144 0.000 1.175 502 A CA 1.648 53.749 52.037 0.107 0.000 0.628 502 A CB -0.765 18.300 19.000 0.109 0.000 0.814 502 A HN 0.436 nan 8.150 nan 0.000 0.444 503 H N -0.478 118.632 119.070 0.067 0.000 2.428 503 H HA -0.054 4.504 4.556 0.003 0.000 0.296 503 H C 2.253 177.626 175.328 0.075 0.000 1.062 503 H CA 1.765 57.850 56.048 0.061 0.000 1.350 503 H CB 0.035 29.809 29.762 0.019 0.000 1.403 503 H HN 0.405 nan 8.280 nan 0.000 0.533 504 R N 0.977 121.582 120.500 0.174 0.000 2.090 504 R HA 0.022 4.364 4.340 0.003 0.000 0.228 504 R C 2.379 178.715 176.300 0.061 0.000 1.110 504 R CA 1.467 57.640 56.100 0.122 0.000 0.973 504 R CB -0.746 29.622 30.300 0.113 0.000 0.869 504 R HN 0.288 nan 8.270 nan 0.000 0.440 505 A N -0.730 122.126 122.820 0.059 0.000 1.898 505 A HA -0.159 4.163 4.320 0.003 0.000 0.216 505 A C 2.180 179.769 177.584 0.009 0.000 1.181 505 A CA 1.331 53.388 52.037 0.032 0.000 0.620 505 A CB -0.908 18.111 19.000 0.031 0.000 0.819 505 A HN 0.571 nan 8.150 nan 0.000 0.442 506 Y N 0.842 121.058 120.300 -0.140 0.000 2.200 506 Y HA -0.198 4.354 4.550 0.003 0.000 0.290 506 Y C 2.748 178.525 175.900 -0.205 0.000 1.137 506 Y CA 1.851 59.826 58.100 -0.209 0.000 1.163 506 Y CB -0.108 38.203 38.460 -0.248 0.000 0.988 506 Y HN 0.351 nan 8.280 nan 0.000 0.518 507 T N 0.042 114.612 114.554 0.027 0.000 2.708 507 T HA -0.196 4.156 4.350 0.003 0.000 0.266 507 T C 1.257 175.970 174.700 0.023 0.000 1.037 507 T CA 1.600 63.690 62.100 -0.016 0.000 1.146 507 T CB -0.372 68.478 68.868 -0.030 0.000 0.865 507 T HN 0.398 nan 8.240 nan 0.000 0.435 508 D N 0.947 121.362 120.400 0.025 0.000 2.144 508 D HA -0.054 4.588 4.640 0.003 0.000 0.199 508 D C 2.383 178.700 176.300 0.028 0.000 0.984 508 D CA 0.929 54.946 54.000 0.028 0.000 0.834 508 D CB -0.190 40.627 40.800 0.029 0.000 0.955 508 D HN 0.355 nan 8.370 nan 0.000 0.465 509 R N 0.594 121.094 120.500 0.000 0.000 2.090 509 R HA 0.025 4.366 4.340 0.003 0.000 0.228 509 R C 2.330 178.644 176.300 0.023 0.000 1.110 509 R CA 0.996 57.087 56.100 -0.013 0.000 0.973 509 R CB -0.197 30.011 30.300 -0.153 0.000 0.869 509 R HN 0.080 nan 8.270 nan 0.000 0.440 510 A N 2.146 124.985 122.820 0.031 0.000 1.877 510 A HA -0.152 4.170 4.320 0.003 0.000 0.216 510 A C 2.219 179.837 177.584 0.057 0.000 1.186 510 A CA 1.566 53.628 52.037 0.042 0.000 0.620 510 A CB -0.660 18.362 19.000 0.037 0.000 0.822 510 A HN 0.436 nan 8.150 nan 0.000 0.443 511 I N -3.500 117.101 120.570 0.053 0.000 2.614 511 I HA -0.093 4.079 4.170 0.003 0.000 0.258 511 I C 1.862 178.055 176.117 0.126 0.000 1.189 511 I CA 1.336 62.672 61.300 0.059 0.000 1.462 511 I CB -0.324 37.689 38.000 0.022 0.000 1.092 511 I HN 0.109 nan 8.210 nan 0.000 0.442 512 R N 1.543 122.139 120.500 0.160 0.000 2.334 512 R HA 0.236 4.577 4.340 0.003 0.000 0.220 512 R C 1.166 177.725 176.300 0.431 0.000 0.917 512 R CA 0.512 56.773 56.100 0.267 0.000 1.073 512 R CB 0.379 30.776 30.300 0.163 0.000 1.056 512 R HN 0.632 nan 8.270 nan 0.000 0.506 513 G N 1.490 110.484 108.800 0.324 0.000 2.147 513 G HA2 -0.297 3.665 3.960 0.003 0.000 0.244 513 G HA3 -0.297 3.665 3.960 0.003 0.000 0.244 513 G C 0.326 175.281 174.900 0.093 0.000 1.005 513 G CA 0.246 45.422 45.100 0.127 0.000 0.713 513 G HN 0.469 nan 8.290 nan 0.000 0.515 514 E N -0.267 120.002 120.200 0.115 0.000 2.476 514 E HA 0.504 4.856 4.350 0.003 0.000 0.196 514 E C 1.734 178.413 176.600 0.132 0.000 1.029 514 E CA 0.218 56.698 56.400 0.133 0.000 0.896 514 E CB 0.448 30.226 29.700 0.129 0.000 1.012 514 E HN 0.735 nan 8.360 nan 0.000 0.475 515 A N 0.505 123.372 122.820 0.078 0.000 2.262 515 A HA 0.278 4.600 4.320 0.003 0.000 0.273 515 A C 0.531 178.248 177.584 0.222 0.000 1.202 515 A CA -0.053 52.005 52.037 0.035 0.000 0.811 515 A CB 0.048 19.039 19.000 -0.016 0.000 1.159 515 A HN 0.340 nan 8.150 nan 0.000 0.505 516 F N -3.345 116.739 119.950 0.224 0.000 2.834 516 F HA 0.301 4.829 4.527 0.003 0.000 0.332 516 F C 0.847 176.807 175.800 0.267 0.000 1.056 516 F CA 0.330 58.501 58.000 0.286 0.000 1.178 516 F CB -0.417 38.757 39.000 0.291 0.000 1.037 516 F HN 0.461 nan 8.300 nan 0.000 0.580 517 D N 1.370 121.638 120.400 -0.220 0.000 2.104 517 D HA -0.133 4.509 4.640 0.003 0.000 0.194 517 D C 2.097 178.509 176.300 0.186 0.000 0.994 517 D CA 1.742 55.762 54.000 0.034 0.000 0.830 517 D CB 0.006 40.752 40.800 -0.090 0.000 0.959 517 D HN 0.022 nan 8.370 nan 0.000 0.452 518 R N -0.360 120.206 120.500 0.111 0.000 2.115 518 R HA -0.093 4.249 4.340 0.003 0.000 0.230 518 R C 2.118 178.675 176.300 0.428 0.000 1.111 518 R CA 0.925 57.111 56.100 0.143 0.000 0.976 518 R CB -1.003 29.266 30.300 -0.052 0.000 0.870 518 R HN 0.564 nan 8.270 nan 0.000 0.445 519 H N 0.642 119.921 119.070 0.347 0.000 2.293 519 H HA 0.004 4.562 4.556 0.003 0.000 0.300 519 H C 2.050 177.555 175.328 0.294 0.000 1.082 519 H CA 1.272 57.540 56.048 0.368 0.000 1.308 519 H CB 0.143 30.079 29.762 0.292 0.000 1.375 519 H HN 0.035 nan 8.280 nan 0.000 0.495 520 L N 0.426 121.831 121.223 0.305 0.000 2.083 520 L HA -0.186 4.156 4.340 0.003 0.000 0.209 520 L C 2.728 179.669 176.870 0.118 0.000 1.083 520 L CA 0.613 55.579 54.840 0.210 0.000 0.752 520 L CB -0.407 41.820 42.059 0.279 0.000 0.899 520 L HN 0.351 nan 8.230 nan 0.000 0.433 521 L N 0.524 121.845 121.223 0.163 0.000 2.046 521 L HA -0.048 4.294 4.340 0.003 0.000 0.208 521 L C 2.357 179.189 176.870 -0.064 0.000 1.077 521 L CA 2.145 56.997 54.840 0.021 0.000 0.747 521 L CB -1.106 41.046 42.059 0.156 0.000 0.896 521 L HN 0.093 nan 8.230 nan 0.000 0.432 522 G N -0.336 108.594 108.800 0.218 0.000 2.422 522 G HA2 -0.227 3.735 3.960 0.003 0.000 0.218 522 G HA3 -0.227 3.735 3.960 0.003 0.000 0.218 522 G C 1.605 176.553 174.900 0.080 0.000 1.146 522 G CA 1.096 46.382 45.100 0.309 0.000 0.769 522 G HN 0.452 nan 8.290 nan 0.000 0.547 523 L N -0.075 121.221 121.223 0.121 0.000 2.093 523 L HA 0.000 4.342 4.340 0.003 0.000 0.208 523 L C 2.779 179.653 176.870 0.006 0.000 1.085 523 L CA 1.412 56.357 54.840 0.175 0.000 0.755 523 L CB -0.266 42.027 42.059 0.390 0.000 0.904 523 L HN 0.216 nan 8.230 nan 0.000 0.435 524 K N 0.712 120.811 120.400 -0.501 0.000 2.001 524 K HA -0.158 4.163 4.320 0.003 0.000 0.208 524 K C 2.154 178.480 176.600 -0.457 0.000 1.048 524 K CA 1.290 57.054 56.287 -0.871 0.000 0.932 524 K CB -0.099 31.565 32.500 -1.393 0.000 0.715 524 K HN 0.182 nan 8.250 nan 0.000 0.437 525 L N 0.836 121.723 121.223 -0.560 0.000 2.079 525 L HA -0.209 4.133 4.340 0.003 0.000 0.210 525 L C 2.768 179.403 176.870 -0.392 0.000 1.081 525 L CA 1.202 55.627 54.840 -0.691 0.000 0.752 525 L CB -0.504 40.635 42.059 -1.533 0.000 0.896 525 L HN 0.332 nan 8.230 nan 0.000 0.433 526 Q N 0.417 120.088 119.800 -0.214 0.000 2.124 526 Q HA -0.170 4.172 4.340 0.003 0.000 0.202 526 Q C 2.212 178.267 176.000 0.092 0.000 0.977 526 Q CA 2.023 57.919 55.803 0.155 0.000 0.850 526 Q CB -0.244 28.634 28.738 0.234 0.000 0.901 526 Q HN 0.438 nan 8.270 nan 0.000 0.429 527 A N 0.186 123.031 122.820 0.042 0.000 1.902 527 A HA -0.154 4.168 4.320 0.003 0.000 0.217 527 A C 2.134 179.739 177.584 0.034 0.000 1.181 527 A CA 1.549 53.625 52.037 0.065 0.000 0.623 527 A CB -0.770 18.296 19.000 0.110 0.000 0.818 527 A HN 0.480 nan 8.150 nan 0.000 0.443 528 I N -0.672 119.889 120.570 -0.015 0.000 2.179 528 I HA -0.271 3.901 4.170 0.003 0.000 0.242 528 I C 2.592 178.731 176.117 0.036 0.000 1.088 528 I CA 1.904 63.198 61.300 -0.010 0.000 1.357 528 I CB -0.375 37.588 38.000 -0.062 0.000 1.051 528 I HN 0.548 nan 8.210 nan 0.000 0.409 529 E N 1.010 121.256 120.200 0.077 0.000 2.106 529 E HA -0.244 4.107 4.350 0.003 0.000 0.192 529 E C 1.296 177.953 176.600 0.096 0.000 0.984 529 E CA 1.304 57.781 56.400 0.128 0.000 0.806 529 E CB 0.095 29.942 29.700 0.245 0.000 0.750 529 E HN 0.412 nan 8.360 nan 0.000 0.458 530 D N 0.224 120.675 120.400 0.085 0.000 2.363 530 D HA -0.035 4.607 4.640 0.003 0.000 0.220 530 D C 0.783 177.110 176.300 0.045 0.000 0.994 530 D CA 0.446 54.483 54.000 0.063 0.000 0.890 530 D CB 0.180 41.015 40.800 0.058 0.000 0.906 530 D HN 0.271 nan 8.370 nan 0.000 0.530 531 L N -0.725 120.524 121.223 0.044 0.000 4.089 531 L HA -0.203 4.139 4.340 0.003 0.000 0.408 531 L C 0.243 177.130 176.870 0.028 0.000 1.184 531 L CA -0.092 54.768 54.840 0.033 0.000 0.947 531 L CB -2.239 39.838 42.059 0.029 0.000 2.066 531 L HN -0.027 nan 8.230 nan 0.000 0.851 532 V N -2.714 117.220 119.914 0.033 0.000 2.837 532 V HA 0.765 4.887 4.120 0.003 0.000 0.310 532 V C 1.049 177.164 176.094 0.035 0.000 1.059 532 V CA -0.142 62.177 62.300 0.032 0.000 1.004 532 V CB 1.754 33.598 31.823 0.036 0.000 1.045 532 V HN 0.352 nan 8.190 nan 0.000 0.465 533 S N 3.331 119.050 115.700 0.032 0.000 2.563 533 S HA 0.230 4.702 4.470 0.003 0.000 0.284 533 S C 0.060 174.689 174.600 0.050 0.000 1.331 533 S CA -0.345 57.875 58.200 0.032 0.000 1.047 533 S CB 0.029 63.244 63.200 0.025 0.000 0.859 533 S HN 1.168 nan 8.310 nan 0.000 0.514 534 M N 3.481 123.109 119.600 0.047 0.000 2.427 534 M HA 0.268 4.749 4.480 0.003 0.000 0.345 534 M C -2.437 173.911 176.300 0.080 0.000 1.653 534 M CA -1.348 53.997 55.300 0.074 0.000 1.138 534 M CB -0.346 32.284 32.600 0.051 0.000 1.995 534 M HN 0.438 nan 8.290 nan 0.000 0.459 535 P HA -0.038 nan 4.420 nan 0.000 0.265 535 P C -0.165 177.073 177.300 -0.103 0.000 1.187 535 P CA 0.083 63.192 63.100 0.014 0.000 0.766 535 P CB 0.528 32.227 31.700 -0.002 0.000 0.820 536 D N 2.201 122.525 120.400 -0.127 0.000 2.182 536 D HA -0.151 4.490 4.640 0.003 0.000 0.201 536 D C 1.733 177.872 176.300 -0.268 0.000 0.986 536 D CA 1.078 54.995 54.000 -0.139 0.000 0.847 536 D CB -0.228 40.510 40.800 -0.104 0.000 0.942 536 D HN 0.402 nan 8.370 nan 0.000 0.467 537 I N -0.069 120.194 120.570 -0.511 0.000 2.423 537 I HA -0.272 3.900 4.170 0.003 0.000 0.254 537 I C 1.575 177.261 176.117 -0.718 0.000 1.151 537 I CA 1.097 61.961 61.300 -0.728 0.000 1.421 537 I CB -0.033 37.219 38.000 -1.246 0.000 1.079 537 I HN -0.106 nan 8.210 nan 0.000 0.431 538 F N -0.587 119.074 119.950 -0.482 0.000 2.664 538 F HA 0.069 4.597 4.527 0.003 0.000 0.296 538 F C 2.011 177.685 175.800 -0.211 0.000 1.125 538 F CA 0.093 57.759 58.000 -0.557 0.000 1.444 538 F CB 0.054 38.760 39.000 -0.489 0.000 1.114 538 F HN -0.009 nan 8.300 nan 0.000 0.576 539 M N -0.761 118.846 119.600 0.012 0.000 2.371 539 M HA 0.074 4.556 4.480 0.003 0.000 0.246 539 M C -0.076 176.260 176.300 0.060 0.000 1.103 539 M CA -0.068 55.266 55.300 0.057 0.000 1.010 539 M CB -0.087 32.533 32.600 0.034 0.000 1.457 539 M HN -0.158 nan 8.290 nan 0.000 0.486 540 D N 0.916 121.332 120.400 0.027 0.000 2.414 540 D HA 0.007 4.649 4.640 0.003 0.000 0.242 540 D C 0.887 177.257 176.300 0.116 0.000 1.129 540 D CA 0.687 54.712 54.000 0.040 0.000 0.885 540 D CB 1.307 42.072 40.800 -0.058 0.000 1.198 540 D HN -0.016 nan 8.370 nan 0.000 0.437 541 T N 1.787 116.406 114.554 0.109 0.000 2.720 541 T HA -0.133 4.218 4.350 0.003 0.000 0.268 541 T C 1.942 176.700 174.700 0.097 0.000 1.037 541 T CA 1.551 63.707 62.100 0.093 0.000 1.144 541 T CB -0.136 68.780 68.868 0.079 0.000 0.864 541 T HN 0.376 nan 8.240 nan 0.000 0.444 542 S N 0.174 115.938 115.700 0.106 0.000 2.383 542 S HA -0.119 4.352 4.470 0.003 0.000 0.229 542 S C 1.659 176.369 174.600 0.183 0.000 1.030 542 S CA 1.059 59.320 58.200 0.101 0.000 1.002 542 S CB -0.454 62.770 63.200 0.039 0.000 0.829 542 S HN 0.631 nan 8.310 nan 0.000 0.467 543 Y N 1.882 122.262 120.300 0.133 0.000 2.220 543 Y HA -0.061 4.491 4.550 0.003 0.000 0.291 543 Y C 2.432 178.395 175.900 0.105 0.000 1.129 543 Y CA 0.937 59.151 58.100 0.189 0.000 1.161 543 Y CB -0.488 38.059 38.460 0.146 0.000 0.997 543 Y HN 0.245 nan 8.280 nan 0.000 0.522 544 A N 0.494 123.381 122.820 0.111 0.000 1.908 544 A HA -0.199 4.122 4.320 0.003 0.000 0.218 544 A C 2.177 179.721 177.584 -0.066 0.000 1.181 544 A CA 2.060 54.101 52.037 0.008 0.000 0.627 544 A CB -1.081 17.946 19.000 0.046 0.000 0.818 544 A HN 0.584 nan 8.150 nan 0.000 0.445 545 I N -0.374 120.171 120.570 -0.041 0.000 2.202 545 I HA -0.240 3.932 4.170 0.003 0.000 0.242 545 I C 2.945 178.993 176.117 -0.116 0.000 1.091 545 I CA 1.020 62.285 61.300 -0.058 0.000 1.368 545 I CB -0.422 37.569 38.000 -0.015 0.000 1.058 545 I HN 0.342 nan 8.210 nan 0.000 0.410 546 A N 0.634 123.389 122.820 -0.108 0.000 1.972 546 A HA -0.159 4.163 4.320 0.003 0.000 0.219 546 A C 2.138 179.424 177.584 -0.496 0.000 1.169 546 A CA 1.465 53.421 52.037 -0.135 0.000 0.635 546 A CB -0.297 18.768 19.000 0.108 0.000 0.810 546 A HN 0.336 nan 8.150 nan 0.000 0.446 547 M N -0.686 118.573 119.600 -0.568 0.000 2.428 547 M HA 0.113 4.595 4.480 0.003 0.000 0.239 547 M C 0.483 176.351 176.300 -0.719 0.000 1.121 547 M CA 0.346 55.211 55.300 -0.724 0.000 1.019 547 M CB -0.736 31.561 32.600 -0.505 0.000 1.485 547 M HN 0.439 nan 8.290 nan 0.000 0.484 548 H N 0.673 119.365 119.070 -0.630 0.000 2.821 548 H HA 0.228 4.786 4.556 0.003 0.000 0.262 548 H C -1.242 173.860 175.328 -0.377 0.000 1.402 548 H CA -0.440 55.390 56.048 -0.364 0.000 1.293 548 H CB -0.104 29.538 29.762 -0.200 0.000 1.533 548 H HN -0.037 nan 8.280 nan 0.000 0.528 549 F N 4.307 124.178 119.950 -0.131 0.000 2.509 549 F HA 0.097 4.626 4.527 0.003 0.000 0.350 549 F C 1.691 177.460 175.800 -0.052 0.000 1.220 549 F CA -0.394 57.578 58.000 -0.046 0.000 1.151 549 F CB 0.109 39.100 39.000 -0.015 0.000 1.379 549 F HN 0.480 nan 8.300 nan 0.000 0.610 550 N N 2.393 121.170 118.700 0.129 0.000 2.289 550 N HA -0.090 4.652 4.740 0.003 0.000 0.184 550 N C 0.228 175.843 175.510 0.176 0.000 1.016 550 N CA 0.974 54.095 53.050 0.117 0.000 0.872 550 N CB 0.330 38.861 38.487 0.073 0.000 0.973 550 N HN 0.392 nan 8.380 nan 0.000 0.433 551 L N 0.662 121.981 121.223 0.160 0.000 2.342 551 L HA 0.245 4.587 4.340 0.003 0.000 0.276 551 L C -0.384 176.630 176.870 0.239 0.000 0.997 551 L CA -0.362 54.591 54.840 0.188 0.000 0.838 551 L CB 1.972 44.063 42.059 0.054 0.000 1.224 551 L HN -0.185 nan 8.230 nan 0.000 0.416 552 S N 2.363 118.221 115.700 0.263 0.000 2.530 552 S HA 0.740 5.212 4.470 0.003 0.000 0.322 552 S C -0.267 174.572 174.600 0.399 0.000 1.085 552 S CA -0.366 57.972 58.200 0.231 0.000 1.096 552 S CB 0.992 64.274 63.200 0.137 0.000 0.988 552 S HN 0.698 nan 8.310 nan 0.000 0.466 553 T N 0.982 115.772 114.554 0.393 0.000 2.864 553 T HA 0.897 5.249 4.350 0.003 0.000 0.289 553 T C -0.555 174.379 174.700 0.389 0.000 1.082 553 T CA -0.439 61.940 62.100 0.465 0.000 1.009 553 T CB 1.517 70.616 68.868 0.385 0.000 1.234 553 T HN 1.189 nan 8.240 nan 0.000 0.526 554 S N -0.160 115.736 115.700 0.327 0.000 2.578 554 S HA 0.503 4.974 4.470 0.003 0.000 0.272 554 S C -1.817 172.654 174.600 -0.215 0.000 1.145 554 S CA -0.951 57.319 58.200 0.117 0.000 0.835 554 S CB 1.752 65.052 63.200 0.167 0.000 1.104 554 S HN 1.091 nan 8.310 nan 0.000 0.458 555 Q N 0.866 120.483 119.800 -0.305 0.000 2.337 555 Q HA 0.671 5.013 4.340 0.003 0.000 0.266 555 Q C -1.764 174.093 176.000 -0.238 0.000 1.023 555 Q CA -0.852 54.608 55.803 -0.571 0.000 0.829 555 Q CB 2.034 30.506 28.738 -0.443 0.000 1.306 555 Q HN 0.726 nan 8.270 nan 0.000 0.449 556 V N 5.781 125.569 119.914 -0.209 0.000 2.383 556 V HA 0.299 4.420 4.120 0.003 0.000 0.264 556 V C -2.330 173.719 176.094 -0.075 0.000 1.001 556 V CA -1.471 60.772 62.300 -0.095 0.000 0.828 556 V CB 0.934 32.725 31.823 -0.053 0.000 1.069 556 V HN 0.733 nan 8.190 nan 0.000 0.451 557 P HA 0.476 nan 4.420 nan 0.000 0.268 557 P C -0.279 177.014 177.300 -0.011 0.000 1.208 557 P CA 0.343 63.427 63.100 -0.026 0.000 0.777 557 P CB 0.833 32.530 31.700 -0.004 0.000 0.875 558 A N 1.442 124.261 122.820 -0.001 0.000 2.583 558 A HA 0.307 4.629 4.320 0.003 0.000 0.292 558 A C 0.328 177.927 177.584 0.024 0.000 1.045 558 A CA -0.615 51.430 52.037 0.014 0.000 0.672 558 A CB 0.831 19.837 19.000 0.010 0.000 1.283 558 A HN 0.383 nan 8.150 nan 0.000 0.419 559 K N 0.003 120.426 120.400 0.038 0.000 2.186 559 K HA 0.074 4.396 4.320 0.003 0.000 0.202 559 K C 0.261 176.893 176.600 0.053 0.000 1.052 559 K CA 1.167 57.481 56.287 0.046 0.000 0.965 559 K CB 0.017 32.548 32.500 0.051 0.000 0.746 559 K HN 0.740 nan 8.250 nan 0.000 0.457 560 T N 1.838 116.425 114.554 0.055 0.000 2.919 560 T HA -0.027 4.325 4.350 0.003 0.000 0.302 560 T C -0.053 174.691 174.700 0.072 0.000 1.031 560 T CA -0.036 62.104 62.100 0.066 0.000 1.127 560 T CB 0.878 69.787 68.868 0.068 0.000 0.952 560 T HN 0.040 nan 8.240 nan 0.000 0.540 561 D N 2.360 122.815 120.400 0.093 0.000 2.688 561 D HA 0.168 4.810 4.640 0.003 0.000 0.228 561 D C 0.396 176.765 176.300 0.114 0.000 1.116 561 D CA -0.530 53.546 54.000 0.127 0.000 1.023 561 D CB -0.857 40.036 40.800 0.154 0.000 1.100 561 D HN 0.612 nan 8.370 nan 0.000 0.487 562 C N -0.259 119.095 119.300 0.090 0.000 2.564 562 C HA 0.913 5.375 4.460 0.003 0.000 0.381 562 C C -0.088 174.954 174.990 0.086 0.000 1.297 562 C CA -0.877 58.195 59.018 0.090 0.000 1.846 562 C CB 1.266 29.047 27.740 0.069 0.000 2.198 562 C HN 0.205 nan 8.230 nan 0.000 0.507 563 V N 0.891 120.868 119.914 0.104 0.000 3.048 563 V HA 0.625 4.747 4.120 0.003 0.000 0.303 563 V C -1.063 175.077 176.094 0.077 0.000 1.214 563 V CA -0.502 61.868 62.300 0.117 0.000 0.984 563 V CB 2.220 34.159 31.823 0.193 0.000 1.054 563 V HN 1.067 nan 8.190 nan 0.000 0.430 564 M N 5.276 124.883 119.600 0.011 0.000 2.724 564 M HA 0.779 5.261 4.480 0.003 0.000 0.310 564 M C -1.331 174.902 176.300 -0.111 0.000 1.217 564 M CA -0.542 54.616 55.300 -0.237 0.000 0.894 564 M CB 2.167 34.704 32.600 -0.105 0.000 1.719 564 M HN 0.695 nan 8.290 nan 0.000 0.479 565 F N 0.012 119.978 119.950 0.028 0.000 2.693 565 F HA 0.860 5.389 4.527 0.003 0.000 0.309 565 F C -1.394 174.392 175.800 -0.023 0.000 1.129 565 F CA -1.534 56.384 58.000 -0.137 0.000 0.948 565 F CB 1.113 40.038 39.000 -0.125 0.000 1.315 565 F HN 0.538 nan 8.300 nan 0.000 0.447 566 F N -1.166 118.919 119.950 0.224 0.000 2.693 566 F HA 0.876 5.404 4.527 0.003 0.000 0.309 566 F C -0.206 175.670 175.800 0.126 0.000 1.129 566 F CA -1.770 56.313 58.000 0.139 0.000 0.948 566 F CB 0.836 39.892 39.000 0.094 0.000 1.315 566 F HN 0.855 nan 8.300 nan 0.000 0.447 567 G N 0.569 109.571 108.800 0.336 0.000 2.572 567 G HA2 0.562 4.523 3.960 0.003 0.000 0.261 567 G HA3 0.562 4.523 3.960 0.003 0.000 0.261 567 G C -2.980 172.109 174.900 0.314 0.000 1.197 567 G CA -1.709 43.507 45.100 0.194 0.000 0.870 567 G HN 0.511 nan 8.290 nan 0.000 0.548 568 P HA 0.084 nan 4.420 nan 0.000 0.270 568 P C 1.181 178.698 177.300 0.362 0.000 1.223 568 P CA -0.256 62.965 63.100 0.202 0.000 0.785 568 P CB 0.999 32.705 31.700 0.010 0.000 0.923 569 V N 0.051 120.093 119.914 0.214 0.000 3.235 569 V HA 0.080 4.202 4.120 0.003 0.000 0.259 569 V C 0.564 176.680 176.094 0.036 0.000 1.133 569 V CA 0.727 63.081 62.300 0.090 0.000 1.128 569 V CB -0.648 31.137 31.823 -0.062 0.000 0.757 569 V HN 0.316 nan 8.190 nan 0.000 0.469 570 V N -5.203 114.742 119.914 0.053 0.000 2.914 570 V HA 0.636 4.758 4.120 0.003 0.000 0.314 570 V C -1.845 174.318 176.094 0.115 0.000 1.084 570 V CA -1.993 60.270 62.300 -0.061 0.000 0.963 570 V CB 1.213 32.780 31.823 -0.425 0.000 1.025 570 V HN -0.006 nan 8.190 nan 0.000 0.432 571 P HA -0.130 nan 4.420 nan 0.000 0.216 571 P C 0.459 177.856 177.300 0.161 0.000 1.150 571 P CA 1.884 65.012 63.100 0.047 0.000 0.843 571 P CB 0.028 31.708 31.700 -0.033 0.000 0.787 572 D N -1.456 119.016 120.400 0.121 0.000 2.738 572 D HA 0.216 4.858 4.640 0.003 0.000 0.246 572 D C 0.662 176.970 176.300 0.013 0.000 1.270 572 D CA -0.319 53.722 54.000 0.067 0.000 0.833 572 D CB -0.217 40.632 40.800 0.081 0.000 1.040 572 D HN 0.034 nan 8.370 nan 0.000 0.487 573 G N -0.736 108.065 108.800 0.001 0.000 3.140 573 G HA2 0.567 4.529 3.960 0.003 0.000 0.271 573 G HA3 0.567 4.529 3.960 0.003 0.000 0.271 573 G C -1.678 173.130 174.900 -0.153 0.000 1.370 573 G CA -0.817 44.276 45.100 -0.012 0.000 1.014 573 G HN 0.082 nan 8.290 nan 0.000 0.541 574 Y N -1.267 119.097 120.300 0.105 0.000 2.485 574 Y HA 0.597 5.148 4.550 0.003 0.000 0.345 574 Y C 0.652 176.607 175.900 0.091 0.000 0.998 574 Y CA -0.631 57.510 58.100 0.067 0.000 1.059 574 Y CB 2.674 41.191 38.460 0.095 0.000 1.234 574 Y HN 0.681 nan 8.280 nan 0.000 0.461 575 G N 3.176 112.089 108.800 0.189 0.000 2.415 575 G HA2 0.642 4.604 3.960 0.003 0.000 0.317 575 G HA3 0.642 4.604 3.960 0.003 0.000 0.317 575 G C -1.107 173.720 174.900 -0.122 0.000 1.152 575 G CA -0.446 44.716 45.100 0.104 0.000 0.956 575 G HN 0.526 nan 8.290 nan 0.000 0.458 576 I N 1.788 122.371 120.570 0.021 0.000 2.436 576 I HA 0.385 4.556 4.170 0.003 0.000 0.289 576 I C -0.513 175.721 176.117 0.194 0.000 1.010 576 I CA -0.746 60.601 61.300 0.078 0.000 1.098 576 I CB 2.114 40.226 38.000 0.187 0.000 1.266 576 I HN 0.413 nan 8.210 nan 0.000 0.434 577 C N 7.341 126.733 119.300 0.153 0.000 2.802 577 C HA 0.864 5.326 4.460 0.003 0.000 0.307 577 C C -1.288 173.897 174.990 0.324 0.000 1.222 577 C CA -0.364 58.784 59.018 0.216 0.000 1.580 577 C CB 1.535 29.335 27.740 0.100 0.000 2.119 577 C HN 0.752 nan 8.230 nan 0.000 0.479 578 Y N 2.237 122.592 120.300 0.091 0.000 2.581 578 Y HA 0.594 5.146 4.550 0.003 0.000 0.337 578 Y C -0.906 174.931 175.900 -0.105 0.000 1.108 578 Y CA -1.246 56.801 58.100 -0.087 0.000 1.033 578 Y CB 0.793 39.047 38.460 -0.344 0.000 1.318 578 Y HN 0.563 nan 8.280 nan 0.000 0.459 579 N N 2.596 121.262 118.700 -0.057 0.000 2.564 579 N HA 0.466 5.208 4.740 0.003 0.000 0.248 579 N C -3.297 172.156 175.510 -0.096 0.000 0.986 579 N CA -2.506 50.499 53.050 -0.075 0.000 0.921 579 N CB 1.545 40.004 38.487 -0.046 0.000 1.136 579 N HN 0.396 nan 8.380 nan 0.000 0.509 580 P HA 0.188 nan 4.420 nan 0.000 0.274 580 P C -0.054 177.196 177.300 -0.083 0.000 1.291 580 P CA -0.004 63.076 63.100 -0.034 0.000 0.815 580 P CB 0.439 32.188 31.700 0.082 0.000 0.897 581 M N 1.812 121.297 119.600 -0.191 0.000 2.531 581 M HA 0.257 4.739 4.480 0.003 0.000 0.262 581 M C 1.677 177.931 176.300 -0.077 0.000 1.168 581 M CA -0.633 54.547 55.300 -0.199 0.000 0.926 581 M CB 0.398 32.690 32.600 -0.513 0.000 1.445 581 M HN 0.169 nan 8.290 nan 0.000 0.531 582 E N 1.130 121.324 120.200 -0.010 0.000 2.028 582 E HA 0.011 4.362 4.350 0.003 0.000 0.190 582 E C 1.391 178.063 176.600 0.119 0.000 0.984 582 E CA 2.054 58.489 56.400 0.058 0.000 0.800 582 E CB 0.039 29.778 29.700 0.065 0.000 0.758 582 E HN 0.709 nan 8.360 nan 0.000 0.448 583 A N -0.199 122.722 122.820 0.168 0.000 2.348 583 A HA 0.181 4.503 4.320 0.003 0.000 0.224 583 A C 0.177 177.950 177.584 0.316 0.000 1.227 583 A CA 0.356 52.538 52.037 0.241 0.000 0.885 583 A CB -0.299 18.832 19.000 0.218 0.000 0.933 583 A HN 0.520 nan 8.150 nan 0.000 0.506 584 H N -2.384 116.761 119.070 0.126 0.000 2.948 584 H HA 0.637 5.194 4.556 0.003 0.000 0.315 584 H C -2.007 173.381 175.328 0.100 0.000 1.360 584 H CA -1.380 54.741 56.048 0.122 0.000 1.125 584 H CB 0.480 30.294 29.762 0.087 0.000 1.844 584 H HN -0.001 nan 8.280 nan 0.000 0.529 585 I N 1.449 122.056 120.570 0.062 0.000 2.499 585 I HA 0.230 4.402 4.170 0.003 0.000 0.288 585 I C -0.620 175.414 176.117 -0.139 0.000 1.048 585 I CA -0.567 60.612 61.300 -0.201 0.000 1.062 585 I CB 1.957 39.706 38.000 -0.419 0.000 1.238 585 I HN 0.434 nan 8.210 nan 0.000 0.426 586 N N 5.738 124.343 118.700 -0.158 0.000 2.408 586 N HA 0.445 5.186 4.740 0.003 0.000 0.257 586 N C -1.220 174.234 175.510 -0.093 0.000 1.064 586 N CA -0.279 52.776 53.050 0.009 0.000 0.952 586 N CB 0.832 39.362 38.487 0.072 0.000 1.093 586 N HN 0.271 nan 8.380 nan 0.000 0.490 587 F N 0.686 120.744 119.950 0.180 0.000 2.523 587 F HA 0.519 5.048 4.527 0.003 0.000 0.329 587 F C 0.628 176.505 175.800 0.128 0.000 1.061 587 F CA -0.779 57.318 58.000 0.161 0.000 0.967 587 F CB 1.780 40.841 39.000 0.101 0.000 1.218 587 F HN 0.269 nan 8.300 nan 0.000 0.480 588 S N 0.923 116.837 115.700 0.357 0.000 2.575 588 S HA 0.845 5.317 4.470 0.003 0.000 0.278 588 S C -1.788 172.872 174.600 0.100 0.000 1.139 588 S CA -0.668 57.639 58.200 0.178 0.000 0.954 588 S CB 1.402 64.722 63.200 0.201 0.000 1.054 588 S HN 0.395 nan 8.310 nan 0.000 0.483 589 V N 3.094 123.025 119.914 0.028 0.000 2.525 589 V HA 0.779 4.901 4.120 0.003 0.000 0.299 589 V C -0.067 176.026 176.094 -0.002 0.000 1.034 589 V CA -0.429 61.879 62.300 0.013 0.000 0.863 589 V CB 1.557 33.378 31.823 -0.004 0.000 0.999 589 V HN 1.150 nan 8.190 nan 0.000 0.423 590 S N 3.427 119.126 115.700 -0.001 0.000 2.607 590 S HA 1.017 5.488 4.470 0.003 0.000 0.303 590 S C -0.449 174.120 174.600 -0.053 0.000 1.086 590 S CA -0.121 58.041 58.200 -0.064 0.000 0.995 590 S CB 2.541 65.657 63.200 -0.139 0.000 1.084 590 S HN 1.742 nan 8.310 nan 0.000 0.507 591 A N 0.681 123.374 122.820 -0.212 0.000 2.586 591 A HA 0.686 5.008 4.320 0.003 0.000 0.290 591 A C -2.280 175.064 177.584 -0.400 0.000 1.086 591 A CA -0.836 50.999 52.037 -0.337 0.000 0.665 591 A CB 0.564 19.435 19.000 -0.216 0.000 1.279 591 A HN 0.761 nan 8.150 nan 0.000 0.423 592 Y N 1.355 121.624 120.300 -0.052 0.000 2.341 592 Y HA 0.328 4.880 4.550 0.003 0.000 0.337 592 Y C 1.366 177.252 175.900 -0.024 0.000 1.014 592 Y CA -1.024 57.069 58.100 -0.012 0.000 1.111 592 Y CB 1.425 39.890 38.460 0.007 0.000 1.194 592 Y HN 0.714 nan 8.280 nan 0.000 0.462 593 N N 0.540 119.329 118.700 0.147 0.000 2.453 593 N HA -0.137 4.604 4.740 0.003 0.000 0.183 593 N C 1.652 177.205 175.510 0.072 0.000 1.041 593 N CA 1.237 54.334 53.050 0.079 0.000 0.900 593 N CB -0.060 38.461 38.487 0.057 0.000 0.961 593 N HN 0.671 nan 8.380 nan 0.000 0.443 594 S N -0.940 114.814 115.700 0.090 0.000 2.507 594 S HA -0.043 4.429 4.470 0.003 0.000 0.235 594 S C 1.143 175.768 174.600 0.042 0.000 0.988 594 S CA -0.110 58.118 58.200 0.047 0.000 0.944 594 S CB -0.440 62.769 63.200 0.015 0.000 0.762 594 S HN 0.322 nan 8.310 nan 0.000 0.526 595 C N 2.104 121.439 119.300 0.059 0.000 2.264 595 C HA 0.829 5.290 4.460 0.003 0.000 0.322 595 C C 1.620 176.630 174.990 0.034 0.000 1.210 595 C CA -0.568 58.474 59.018 0.040 0.000 1.539 595 C CB -0.404 27.360 27.740 0.039 0.000 2.167 595 C HN 0.566 nan 8.230 nan 0.000 0.463 596 A N 3.555 126.395 122.820 0.034 0.000 2.070 596 A HA -0.078 4.243 4.320 0.003 0.000 0.220 596 A C 1.724 179.341 177.584 0.054 0.000 1.159 596 A CA 1.553 53.612 52.037 0.038 0.000 0.656 596 A CB -0.201 18.818 19.000 0.031 0.000 0.800 596 A HN 0.882 nan 8.150 nan 0.000 0.453 597 E N -0.002 120.240 120.200 0.069 0.000 2.511 597 E HA 0.037 4.389 4.350 0.003 0.000 0.196 597 E C 0.590 177.314 176.600 0.206 0.000 1.066 597 E CA 0.869 57.351 56.400 0.137 0.000 0.871 597 E CB -0.054 29.733 29.700 0.145 0.000 0.863 597 E HN 0.710 nan 8.360 nan 0.000 0.520 598 T N -1.476 113.133 114.554 0.092 0.000 2.863 598 T HA 0.520 4.872 4.350 0.003 0.000 0.285 598 T C -0.537 174.215 174.700 0.087 0.000 1.009 598 T CA -1.070 61.063 62.100 0.057 0.000 0.989 598 T CB 1.720 70.345 68.868 -0.405 0.000 1.004 598 T HN -0.072 nan 8.240 nan 0.000 0.455 599 N N 0.819 119.669 118.700 0.249 0.000 2.572 599 N HA 0.352 5.094 4.740 0.003 0.000 0.287 599 N C 0.904 176.572 175.510 0.262 0.000 1.136 599 N CA -0.175 52.982 53.050 0.178 0.000 0.900 599 N CB 2.058 40.607 38.487 0.104 0.000 1.484 599 N HN 0.790 nan 8.380 nan 0.000 0.526 600 A N 3.673 126.607 122.820 0.190 0.000 1.873 600 A HA -0.126 4.196 4.320 0.003 0.000 0.218 600 A C 2.106 179.681 177.584 -0.015 0.000 1.193 600 A CA 2.404 54.524 52.037 0.139 0.000 0.629 600 A CB -0.891 18.141 19.000 0.053 0.000 0.826 600 A HN 0.783 nan 8.150 nan 0.000 0.447 601 A N -0.609 122.163 122.820 -0.080 0.000 1.883 601 A HA -0.221 4.101 4.320 0.003 0.000 0.217 601 A C 2.284 179.611 177.584 -0.430 0.000 1.186 601 A CA 2.010 53.875 52.037 -0.286 0.000 0.624 601 A CB -0.565 18.314 19.000 -0.201 0.000 0.822 601 A HN 0.583 nan 8.150 nan 0.000 0.444 602 R N -1.462 118.961 120.500 -0.128 0.000 2.070 602 R HA -0.193 4.149 4.340 0.003 0.000 0.233 602 R C 2.205 178.534 176.300 0.048 0.000 1.137 602 R CA 2.089 58.208 56.100 0.032 0.000 0.945 602 R CB -0.361 29.978 30.300 0.065 0.000 0.845 602 R HN 0.470 nan 8.270 nan 0.000 0.430 603 M N 0.599 120.157 119.600 -0.069 0.000 2.108 603 M HA -0.115 4.367 4.480 0.003 0.000 0.261 603 M C 2.004 178.230 176.300 -0.122 0.000 1.066 603 M CA 2.093 57.275 55.300 -0.197 0.000 1.107 603 M CB -0.439 31.820 32.600 -0.568 0.000 1.356 603 M HN 0.254 nan 8.290 nan 0.000 0.406 604 A N -1.187 121.548 122.820 -0.142 0.000 1.902 604 A HA -0.205 4.117 4.320 0.003 0.000 0.217 604 A C 2.019 179.603 177.584 -0.001 0.000 1.181 604 A CA 2.052 54.010 52.037 -0.131 0.000 0.623 604 A CB -1.355 17.565 19.000 -0.132 0.000 0.818 604 A HN 0.789 nan 8.150 nan 0.000 0.443 605 H N -3.061 116.031 119.070 0.037 0.000 2.353 605 H HA -0.153 4.405 4.556 0.003 0.000 0.300 605 H C 1.953 177.278 175.328 -0.004 0.000 1.090 605 H CA 1.657 57.722 56.048 0.028 0.000 1.327 605 H CB -0.145 29.636 29.762 0.032 0.000 1.383 605 H HN 0.602 nan 8.280 nan 0.000 0.508 606 Y N 0.155 120.478 120.300 0.039 0.000 2.242 606 Y HA -0.180 4.371 4.550 0.003 0.000 0.291 606 Y C 2.392 178.256 175.900 -0.059 0.000 1.137 606 Y CA 0.704 58.790 58.100 -0.023 0.000 1.181 606 Y CB -0.196 38.224 38.460 -0.067 0.000 0.989 606 Y HN 0.164 nan 8.280 nan 0.000 0.527 607 L N 0.567 121.807 121.223 0.028 0.000 2.017 607 L HA -0.188 4.154 4.340 0.003 0.000 0.208 607 L C 2.299 179.075 176.870 -0.157 0.000 1.073 607 L CA 2.085 56.839 54.840 -0.143 0.000 0.745 607 L CB -0.969 40.879 42.059 -0.351 0.000 0.894 607 L HN 0.326 nan 8.230 nan 0.000 0.432 608 E N -0.535 119.626 120.200 -0.065 0.000 2.058 608 E HA -0.335 4.017 4.350 0.003 0.000 0.194 608 E C 2.160 178.844 176.600 0.140 0.000 0.997 608 E CA 1.589 58.075 56.400 0.143 0.000 0.801 608 E CB -0.097 29.765 29.700 0.270 0.000 0.746 608 E HN 0.332 nan 8.360 nan 0.000 0.450 609 K N 0.496 120.915 120.400 0.032 0.000 2.148 609 K HA -0.029 4.293 4.320 0.003 0.000 0.204 609 K C 1.738 178.347 176.600 0.015 0.000 1.050 609 K CA 1.320 57.596 56.287 -0.019 0.000 0.942 609 K CB -0.429 31.997 32.500 -0.123 0.000 0.724 609 K HN 0.228 nan 8.250 nan 0.000 0.446 610 A N 0.540 123.371 122.820 0.019 0.000 1.898 610 A HA -0.083 4.239 4.320 0.003 0.000 0.216 610 A C 2.182 179.807 177.584 0.069 0.000 1.181 610 A CA 1.443 53.504 52.037 0.040 0.000 0.620 610 A CB -0.682 18.338 19.000 0.033 0.000 0.819 610 A HN 0.298 nan 8.150 nan 0.000 0.442 611 L N -0.614 120.644 121.223 0.059 0.000 2.042 611 L HA -0.214 4.128 4.340 0.003 0.000 0.210 611 L C 2.578 179.720 176.870 0.454 0.000 1.076 611 L CA 1.261 56.231 54.840 0.217 0.000 0.749 611 L CB -0.519 41.449 42.059 -0.150 0.000 0.893 611 L HN 0.386 nan 8.230 nan 0.000 0.432 612 L N -0.842 120.577 121.223 0.327 0.000 2.056 612 L HA -0.201 4.140 4.340 0.003 0.000 0.207 612 L C 2.204 179.166 176.870 0.154 0.000 1.078 612 L CA 0.955 55.944 54.840 0.248 0.000 0.749 612 L CB -0.633 41.442 42.059 0.027 0.000 0.901 612 L HN 0.250 nan 8.230 nan 0.000 0.433 613 D N -0.140 120.330 120.400 0.115 0.000 2.144 613 D HA -0.176 4.466 4.640 0.003 0.000 0.199 613 D C 2.304 178.691 176.300 0.144 0.000 0.984 613 D CA 1.352 55.409 54.000 0.094 0.000 0.834 613 D CB -0.063 40.778 40.800 0.067 0.000 0.955 613 D HN 0.311 nan 8.370 nan 0.000 0.465 614 M N -0.165 119.548 119.600 0.188 0.000 2.175 614 M HA -0.091 4.391 4.480 0.003 0.000 0.264 614 M C 2.288 178.783 176.300 0.325 0.000 1.063 614 M CA 0.970 56.396 55.300 0.210 0.000 1.119 614 M CB 0.012 32.597 32.600 -0.025 0.000 1.377 614 M HN -0.113 nan 8.290 nan 0.000 0.415 615 R N -0.141 120.546 120.500 0.313 0.000 2.075 615 R HA -0.122 4.219 4.340 0.003 0.000 0.232 615 R C 1.895 178.168 176.300 -0.046 0.000 1.126 615 R CA 1.999 58.054 56.100 -0.076 0.000 0.963 615 R CB -0.331 29.594 30.300 -0.624 0.000 0.858 615 R HN 0.234 nan 8.270 nan 0.000 0.435 616 T N 1.906 116.466 114.554 0.010 0.000 2.684 616 T HA -0.178 4.174 4.350 0.003 0.000 0.267 616 T C 1.710 176.460 174.700 0.084 0.000 1.036 616 T CA 1.452 63.563 62.100 0.019 0.000 1.148 616 T CB -0.299 68.583 68.868 0.023 0.000 0.863 616 T HN 0.197 nan 8.240 nan 0.000 0.436 617 L N 0.801 122.109 121.223 0.141 0.000 2.012 617 L HA -0.024 4.318 4.340 0.003 0.000 0.210 617 L C 2.190 179.207 176.870 0.244 0.000 1.073 617 L CA 1.659 56.619 54.840 0.199 0.000 0.748 617 L CB -0.590 41.596 42.059 0.211 0.000 0.891 617 L HN 0.252 nan 8.230 nan 0.000 0.431 618 L N -1.179 120.199 121.223 0.258 0.000 2.093 618 L HA -0.203 4.139 4.340 0.003 0.000 0.208 618 L C 2.617 179.632 176.870 0.241 0.000 1.085 618 L CA 1.252 56.261 54.840 0.281 0.000 0.755 618 L CB -0.504 41.793 42.059 0.396 0.000 0.904 618 L HN 0.394 nan 8.230 nan 0.000 0.435 619 Q N -0.208 119.717 119.800 0.209 0.000 2.167 619 Q HA -0.151 4.191 4.340 0.003 0.000 0.202 619 Q C 1.717 177.734 176.000 0.029 0.000 0.970 619 Q CA 1.198 57.075 55.803 0.124 0.000 0.855 619 Q CB -0.118 28.653 28.738 0.055 0.000 0.911 619 Q HN 0.601 nan 8.270 nan 0.000 0.438 620 N N -0.353 118.337 118.700 -0.017 0.000 2.512 620 N HA -0.075 4.666 4.740 0.003 0.000 0.183 620 N C -0.220 174.988 175.510 -0.504 0.000 1.073 620 N CA 0.335 53.247 53.050 -0.231 0.000 0.911 620 N CB 0.282 38.619 38.487 -0.250 0.000 0.964 620 N HN 0.206 nan 8.380 nan 0.000 0.447 621 H N -0.099 119.007 119.070 0.059 0.000 2.488 621 H HA 0.273 4.831 4.556 0.003 0.000 0.237 621 H C -2.556 172.800 175.328 0.047 0.000 1.395 621 H CA -1.487 54.590 56.048 0.049 0.000 1.491 621 H CB 0.854 30.645 29.762 0.049 0.000 1.567 621 H HN 0.053 nan 8.280 nan 0.000 0.508 622 P HA 0.122 nan 4.420 nan 0.000 0.269 622 P C 0.976 178.316 177.300 0.067 0.000 1.209 622 P CA -0.133 63.009 63.100 0.071 0.000 0.776 622 P CB 1.604 33.330 31.700 0.042 0.000 0.876 623 R N 2.487 123.013 120.500 0.045 0.000 2.066 623 R HA 0.120 4.462 4.340 0.003 0.000 0.224 623 R C 0.814 177.128 176.300 0.024 0.000 1.122 623 R CA 0.619 56.739 56.100 0.033 0.000 0.974 623 R CB -0.627 29.683 30.300 0.016 0.000 0.871 623 R HN 0.455 nan 8.270 nan 0.000 0.435 624 A N 3.076 125.906 122.820 0.016 0.000 2.594 624 A HA 0.046 4.368 4.320 0.003 0.000 0.291 624 A C -0.058 177.535 177.584 0.016 0.000 1.374 624 A CA 0.148 52.191 52.037 0.011 0.000 1.025 624 A CB -0.618 18.385 19.000 0.006 0.000 1.072 624 A HN 0.332 nan 8.150 nan 0.000 0.555 625 K N 0.000 120.410 120.400 0.017 0.000 2.780 625 K HA 0.000 4.322 4.320 0.003 0.000 0.191 625 K CA 0.000 56.298 56.287 0.018 0.000 0.838 625 K CB 0.000 32.508 32.500 0.013 0.000 1.064 625 K HN 0.000 nan 8.250 nan 0.000 0.543