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 2h3u_1_B 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 0.000 174.647 174.600 0.078 0.000 1.055 27 S CA 0.000 58.227 58.200 0.045 0.000 1.107 27 S CB 0.000 63.217 63.200 0.029 0.000 0.593 28 H N 0.751 119.808 119.070 -0.022 0.000 2.333 28 H HA 0.180 4.725 4.556 -0.019 0.000 0.302 28 H C 2.067 177.387 175.328 -0.013 0.000 1.075 28 H CA 2.406 58.436 56.048 -0.029 0.000 1.348 28 H CB -0.180 29.465 29.762 -0.196 0.000 1.393 28 H HN 0.579 nan 8.280 nan 0.000 0.509 29 M N -0.174 119.357 119.600 -0.115 0.000 2.082 29 M HA -0.209 4.259 4.480 -0.019 0.000 0.258 29 M C 2.364 178.566 176.300 -0.162 0.000 1.069 29 M CA 1.950 57.146 55.300 -0.174 0.000 1.102 29 M CB -0.321 32.230 32.600 -0.080 0.000 1.336 29 M HN 0.453 nan 8.290 nan 0.000 0.404 30 A N -0.617 122.154 122.820 -0.081 0.000 1.883 30 A HA -0.294 4.015 4.320 -0.019 0.000 0.217 30 A C 1.822 179.364 177.584 -0.069 0.000 1.186 30 A CA 2.383 54.384 52.037 -0.060 0.000 0.624 30 A CB -1.344 17.647 19.000 -0.014 0.000 0.822 30 A HN 0.796 nan 8.150 nan 0.000 0.444 31 H N -0.465 118.525 119.070 -0.133 0.000 2.290 31 H HA -0.150 4.395 4.556 -0.019 0.000 0.298 31 H C 2.147 177.371 175.328 -0.173 0.000 1.087 31 H CA 2.269 58.241 56.048 -0.126 0.000 1.291 31 H CB -0.155 29.546 29.762 -0.102 0.000 1.369 31 H HN 0.388 nan 8.280 nan 0.000 0.492 32 Q N 0.283 119.819 119.800 -0.440 0.000 2.135 32 Q HA -0.137 4.191 4.340 -0.019 0.000 0.204 32 Q C 1.930 177.629 176.000 -0.501 0.000 0.981 32 Q CA 1.770 57.274 55.803 -0.498 0.000 0.856 32 Q CB -0.372 28.105 28.738 -0.436 0.000 0.902 32 Q HN 0.654 nan 8.270 nan 0.000 0.425 33 D N 0.400 120.575 120.400 -0.375 0.000 2.219 33 D HA -0.072 4.556 4.640 -0.019 0.000 0.205 33 D C 1.345 177.508 176.300 -0.229 0.000 0.970 33 D CA 1.198 55.016 54.000 -0.303 0.000 0.851 33 D CB -0.034 40.649 40.800 -0.196 0.000 0.943 33 D HN 0.283 nan 8.370 nan 0.000 0.488 34 A N -0.155 122.537 122.820 -0.213 0.000 2.238 34 A HA 0.141 4.450 4.320 -0.019 0.000 0.208 34 A C 0.708 178.200 177.584 -0.153 0.000 1.177 34 A CA 0.047 51.997 52.037 -0.145 0.000 0.804 34 A CB -0.286 18.656 19.000 -0.098 0.000 0.823 34 A HN 0.144 nan 8.150 nan 0.000 0.482 35 L N 1.517 122.610 121.223 -0.217 0.000 2.375 35 L HA 0.305 4.634 4.340 -0.019 0.000 0.271 35 L C -1.903 174.945 176.870 -0.036 0.000 1.107 35 L CA -2.142 52.608 54.840 -0.150 0.000 0.806 35 L CB 1.020 42.972 42.059 -0.178 0.000 1.146 35 L HN 0.123 nan 8.230 nan 0.000 0.447 36 P HA 0.179 nan 4.420 nan 0.000 0.274 36 P C -0.979 176.497 177.300 0.294 0.000 1.231 36 P CA -0.591 62.599 63.100 0.149 0.000 0.790 36 P CB 0.901 32.706 31.700 0.175 0.000 0.951 37 R N 0.894 121.545 120.500 0.252 0.000 2.500 37 R HA 0.387 4.715 4.340 -0.019 0.000 0.277 37 R C -0.202 176.178 176.300 0.132 0.000 1.026 37 R CA -1.168 55.061 56.100 0.215 0.000 1.058 37 R CB -0.478 29.902 30.300 0.133 0.000 1.078 37 R HN 0.420 nan 8.270 nan 0.000 0.509 38 L N 5.378 126.584 121.223 -0.028 0.000 2.559 38 L HA 0.168 4.497 4.340 -0.019 0.000 0.274 38 L C -1.942 174.838 176.870 -0.148 0.000 1.205 38 L CA -0.465 54.141 54.840 -0.391 0.000 0.907 38 L CB 0.175 42.020 42.059 -0.358 0.000 1.153 38 L HN 0.575 nan 8.230 nan 0.000 0.490 39 P HA 0.236 nan 4.420 nan 0.000 0.280 39 P C -1.454 175.879 177.300 0.056 0.000 1.272 39 P CA -0.505 62.551 63.100 -0.073 0.000 0.819 39 P CB 1.541 33.164 31.700 -0.127 0.000 1.122 40 V N 2.168 122.013 119.914 -0.115 0.000 2.334 40 V HA 0.275 4.384 4.120 -0.019 0.000 0.281 40 V C -2.077 173.830 176.094 -0.311 0.000 1.016 40 V CA -1.735 60.353 62.300 -0.354 0.000 0.832 40 V CB 0.711 32.207 31.823 -0.545 0.000 0.999 40 V HN 0.552 nan 8.190 nan 0.000 0.439 41 P HA 0.241 nan 4.420 nan 0.000 0.270 41 P C -2.655 174.592 177.300 -0.088 0.000 1.223 41 P CA -1.141 61.875 63.100 -0.140 0.000 0.785 41 P CB -0.082 31.637 31.700 0.031 0.000 0.923 42 P HA 0.012 nan 4.420 nan 0.000 0.268 42 P C 0.769 178.177 177.300 0.179 0.000 1.205 42 P CA -0.192 62.947 63.100 0.064 0.000 0.771 42 P CB 0.370 32.094 31.700 0.040 0.000 0.858 43 L N 3.408 124.727 121.223 0.160 0.000 1.989 43 L HA -0.234 4.094 4.340 -0.019 0.000 0.211 43 L C 2.291 179.209 176.870 0.080 0.000 1.071 43 L CA 1.994 56.928 54.840 0.158 0.000 0.749 43 L CB -1.201 40.885 42.059 0.045 0.000 0.890 43 L HN 0.442 nan 8.230 nan 0.000 0.431 44 Q N -1.051 118.765 119.800 0.028 0.000 2.096 44 Q HA -0.300 4.028 4.340 -0.019 0.000 0.204 44 Q C 2.290 178.266 176.000 -0.041 0.000 0.982 44 Q CA 2.136 57.931 55.803 -0.014 0.000 0.850 44 Q CB -0.214 28.506 28.738 -0.031 0.000 0.901 44 Q HN 0.737 nan 8.270 nan 0.000 0.422 45 Q N -0.318 119.469 119.800 -0.022 0.000 2.030 45 Q HA -0.177 4.152 4.340 -0.019 0.000 0.204 45 Q C 2.101 178.068 176.000 -0.055 0.000 0.986 45 Q CA 2.085 57.832 55.803 -0.093 0.000 0.843 45 Q CB -0.116 28.636 28.738 0.023 0.000 0.904 45 Q HN 0.302 nan 8.270 nan 0.000 0.420 46 S N 0.632 116.434 115.700 0.170 0.000 2.382 46 S HA -0.092 4.367 4.470 -0.019 0.000 0.228 46 S C 1.891 176.508 174.600 0.028 0.000 1.027 46 S CA 1.032 59.399 58.200 0.280 0.000 0.991 46 S CB -0.189 63.250 63.200 0.399 0.000 0.823 46 S HN 0.356 nan 8.310 nan 0.000 0.469 47 L N 1.068 122.276 121.223 -0.026 0.000 2.141 47 L HA -0.115 4.214 4.340 -0.019 0.000 0.209 47 L C 2.008 178.836 176.870 -0.070 0.000 1.094 47 L CA 0.943 55.753 54.840 -0.050 0.000 0.763 47 L CB -0.578 41.469 42.059 -0.020 0.000 0.908 47 L HN 0.184 nan 8.230 nan 0.000 0.437 48 D N -0.691 119.639 120.400 -0.116 0.000 2.117 48 D HA -0.182 4.446 4.640 -0.019 0.000 0.198 48 D C 2.074 178.315 176.300 -0.099 0.000 0.982 48 D CA 1.346 55.260 54.000 -0.143 0.000 0.828 48 D CB -0.151 40.506 40.800 -0.237 0.000 0.967 48 D HN 0.235 nan 8.370 nan 0.000 0.464 49 Y N -0.310 119.963 120.300 -0.046 0.000 2.293 49 Y HA -0.166 4.373 4.550 -0.019 0.000 0.291 49 Y C 2.211 177.998 175.900 -0.190 0.000 1.137 49 Y CA 0.279 58.363 58.100 -0.027 0.000 1.202 49 Y CB -0.847 37.689 38.460 0.127 0.000 0.990 49 Y HN 0.065 nan 8.280 nan 0.000 0.537 50 Y N 0.290 120.215 120.300 -0.625 0.000 2.114 50 Y HA -0.219 4.319 4.550 -0.019 0.000 0.284 50 Y C 2.049 177.822 175.900 -0.213 0.000 1.143 50 Y CA 1.364 58.935 58.100 -0.882 0.000 1.135 50 Y CB -0.809 37.127 38.460 -0.873 0.000 0.980 50 Y HN 0.047 nan 8.280 nan 0.000 0.499 51 L N 0.066 121.122 121.223 -0.277 0.000 2.079 51 L HA -0.252 4.077 4.340 -0.019 0.000 0.210 51 L C 2.440 179.451 176.870 0.235 0.000 1.081 51 L CA 1.747 56.471 54.840 -0.192 0.000 0.752 51 L CB -0.501 41.472 42.059 -0.142 0.000 0.896 51 L HN 0.175 nan 8.230 nan 0.000 0.433 52 K N -0.111 120.403 120.400 0.189 0.000 2.103 52 K HA -0.075 4.234 4.320 -0.019 0.000 0.204 52 K C 2.189 178.930 176.600 0.235 0.000 1.052 52 K CA 1.204 57.629 56.287 0.229 0.000 0.945 52 K CB -0.191 32.437 32.500 0.214 0.000 0.722 52 K HN 0.258 nan 8.250 nan 0.000 0.443 53 A N 1.014 123.995 122.820 0.268 0.000 2.067 53 A HA -0.056 4.253 4.320 -0.019 0.000 0.219 53 A C 1.942 179.678 177.584 0.253 0.000 1.158 53 A CA 1.016 53.264 52.037 0.350 0.000 0.661 53 A CB -0.388 18.982 19.000 0.617 0.000 0.801 53 A HN 0.151 nan 8.150 nan 0.000 0.452 54 L N -1.261 120.057 121.223 0.159 0.000 2.270 54 L HA -0.115 4.214 4.340 -0.019 0.000 0.210 54 L C 2.664 179.680 176.870 0.244 0.000 1.104 54 L CA 0.982 55.907 54.840 0.141 0.000 0.804 54 L CB -0.418 41.613 42.059 -0.047 0.000 0.937 54 L HN 0.550 nan 8.230 nan 0.000 0.450 55 Q N 1.026 120.970 119.800 0.239 0.000 2.062 55 Q HA -0.209 4.120 4.340 -0.019 0.000 0.209 55 Q C -0.638 175.379 176.000 0.028 0.000 0.996 55 Q CA 2.268 58.077 55.803 0.010 0.000 0.859 55 Q CB -0.637 28.005 28.738 -0.160 0.000 0.920 55 Q HN 0.331 nan 8.270 nan 0.000 0.415 56 P HA -0.064 nan 4.420 nan 0.000 0.233 56 P C 0.859 178.225 177.300 0.109 0.000 1.167 56 P CA 1.042 64.192 63.100 0.084 0.000 0.770 56 P CB -0.134 31.627 31.700 0.101 0.000 0.837 57 I N -3.233 117.408 120.570 0.118 0.000 4.154 57 I HA 0.233 4.391 4.170 -0.019 0.000 0.334 57 I C 0.274 176.450 176.117 0.099 0.000 1.371 57 I CA -0.587 60.779 61.300 0.111 0.000 1.110 57 I CB 0.764 38.828 38.000 0.107 0.000 1.085 57 I HN -0.308 nan 8.210 nan 0.000 0.398 58 V N -1.023 118.959 119.914 0.114 0.000 3.040 58 V HA 0.719 4.828 4.120 -0.019 0.000 0.312 58 V C 0.385 176.546 176.094 0.112 0.000 1.115 58 V CA -0.337 62.030 62.300 0.113 0.000 0.998 58 V CB 1.363 33.270 31.823 0.141 0.000 1.042 58 V HN 0.310 nan 8.190 nan 0.000 0.433 59 S N 0.709 116.468 115.700 0.097 0.000 2.600 59 S HA 0.262 4.721 4.470 -0.019 0.000 0.265 59 S C 0.774 175.444 174.600 0.116 0.000 1.325 59 S CA 0.413 58.663 58.200 0.083 0.000 1.002 59 S CB 0.585 63.822 63.200 0.062 0.000 0.921 59 S HN 0.866 nan 8.310 nan 0.000 0.554 60 E N 0.643 120.892 120.200 0.083 0.000 2.085 60 E HA -0.194 4.145 4.350 -0.019 0.000 0.194 60 E C 1.805 178.495 176.600 0.151 0.000 0.994 60 E CA 1.521 57.978 56.400 0.094 0.000 0.801 60 E CB -0.170 29.556 29.700 0.043 0.000 0.743 60 E HN 0.722 nan 8.360 nan 0.000 0.453 61 E N 0.924 121.190 120.200 0.110 0.000 2.047 61 E HA -0.166 4.173 4.350 -0.019 0.000 0.191 61 E C 1.801 178.482 176.600 0.134 0.000 0.987 61 E CA 1.102 57.565 56.400 0.104 0.000 0.799 61 E CB 0.021 29.754 29.700 0.055 0.000 0.752 61 E HN 0.265 nan 8.360 nan 0.000 0.449 62 E N -0.942 119.334 120.200 0.127 0.000 2.110 62 E HA -0.194 4.145 4.350 -0.019 0.000 0.193 62 E C 1.748 178.443 176.600 0.159 0.000 0.988 62 E CA 0.950 57.427 56.400 0.128 0.000 0.804 62 E CB -0.262 29.497 29.700 0.099 0.000 0.745 62 E HN 0.354 nan 8.360 nan 0.000 0.458 63 W N 1.282 122.592 121.300 0.016 0.000 2.381 63 W HA -0.145 4.503 4.660 -0.019 0.000 0.301 63 W C 2.414 178.926 176.519 -0.011 0.000 1.205 63 W CA 1.896 59.230 57.345 -0.018 0.000 1.285 63 W CB -0.197 29.247 29.460 -0.028 0.000 1.133 63 W HN 0.033 nan 8.180 nan 0.000 0.521 64 A N -0.643 122.388 122.820 0.352 0.000 1.883 64 A HA -0.326 3.982 4.320 -0.019 0.000 0.217 64 A C 2.092 179.688 177.584 0.021 0.000 1.186 64 A CA 2.013 54.182 52.037 0.221 0.000 0.624 64 A CB -1.655 17.475 19.000 0.217 0.000 0.822 64 A HN 0.620 nan 8.150 nan 0.000 0.444 65 H N -0.398 118.653 119.070 -0.032 0.000 2.353 65 H HA -0.112 4.432 4.556 -0.019 0.000 0.300 65 H C 1.942 177.182 175.328 -0.146 0.000 1.090 65 H CA 1.988 57.995 56.048 -0.068 0.000 1.327 65 H CB -0.081 29.658 29.762 -0.038 0.000 1.383 65 H HN 0.427 nan 8.280 nan 0.000 0.508 66 T N 0.701 115.106 114.554 -0.247 0.000 2.867 66 T HA -0.120 4.219 4.350 -0.019 0.000 0.268 66 T C 1.975 176.374 174.700 -0.501 0.000 1.057 66 T CA 1.511 63.383 62.100 -0.380 0.000 1.136 66 T CB -0.072 68.575 68.868 -0.367 0.000 0.874 66 T HN 0.212 nan 8.240 nan 0.000 0.466 67 K N 1.626 121.655 120.400 -0.619 0.000 2.057 67 K HA -0.050 4.258 4.320 -0.019 0.000 0.207 67 K C 2.284 178.683 176.600 -0.335 0.000 1.049 67 K CA 1.442 57.368 56.287 -0.602 0.000 0.931 67 K CB -0.284 31.831 32.500 -0.641 0.000 0.714 67 K HN 0.377 nan 8.250 nan 0.000 0.440 68 Q N -0.046 119.583 119.800 -0.285 0.000 2.119 68 Q HA -0.064 4.264 4.340 -0.019 0.000 0.201 68 Q C 2.162 178.020 176.000 -0.237 0.000 0.972 68 Q CA 1.389 57.062 55.803 -0.215 0.000 0.847 68 Q CB -0.115 28.515 28.738 -0.180 0.000 0.903 68 Q HN 0.316 nan 8.270 nan 0.000 0.433 69 L N 0.079 121.098 121.223 -0.339 0.000 2.083 69 L HA -0.157 4.172 4.340 -0.019 0.000 0.209 69 L C 2.388 179.143 176.870 -0.193 0.000 1.083 69 L CA 0.646 55.311 54.840 -0.290 0.000 0.752 69 L CB -0.470 41.362 42.059 -0.377 0.000 0.899 69 L HN 0.070 nan 8.230 nan 0.000 0.433 70 V N -0.119 119.669 119.914 -0.210 0.000 2.295 70 V HA -0.286 3.823 4.120 -0.019 0.000 0.246 70 V C 2.152 178.217 176.094 -0.049 0.000 1.049 70 V CA 1.895 64.120 62.300 -0.125 0.000 1.024 70 V CB -0.444 31.278 31.823 -0.168 0.000 0.648 70 V HN 0.436 nan 8.190 nan 0.000 0.447 71 D N -0.217 120.128 120.400 -0.092 0.000 2.117 71 D HA -0.170 4.458 4.640 -0.019 0.000 0.197 71 D C 2.210 178.482 176.300 -0.047 0.000 0.987 71 D CA 1.349 55.310 54.000 -0.066 0.000 0.829 71 D CB -0.128 40.627 40.800 -0.075 0.000 0.961 71 D HN 0.563 nan 8.370 nan 0.000 0.460 72 E N -0.420 119.751 120.200 -0.048 0.000 2.106 72 E HA -0.125 4.213 4.350 -0.019 0.000 0.192 72 E C 1.825 178.426 176.600 0.001 0.000 0.984 72 E CA 0.229 56.608 56.400 -0.034 0.000 0.806 72 E CB -0.147 29.525 29.700 -0.047 0.000 0.750 72 E HN 0.182 nan 8.360 nan 0.000 0.458 73 F N 2.240 122.095 119.950 -0.157 0.000 2.171 73 F HA -0.165 4.350 4.527 -0.019 0.000 0.300 73 F C 1.914 177.635 175.800 -0.132 0.000 1.090 73 F CA 1.511 59.410 58.000 -0.168 0.000 1.293 73 F CB 0.117 38.975 39.000 -0.236 0.000 1.013 73 F HN -0.052 nan 8.300 nan 0.000 0.486 74 Q N -0.677 119.048 119.800 -0.126 0.000 2.188 74 Q HA 0.175 4.503 4.340 -0.019 0.000 0.212 74 Q C 0.642 176.558 176.000 -0.140 0.000 0.846 74 Q CA -0.030 55.652 55.803 -0.201 0.000 0.989 74 Q CB -0.261 28.413 28.738 -0.107 0.000 1.114 74 Q HN 0.158 nan 8.270 nan 0.000 0.488 75 T N 0.926 115.411 114.554 -0.116 0.000 2.860 75 T HA 0.120 4.459 4.350 -0.019 0.000 0.299 75 T C 0.074 174.717 174.700 -0.095 0.000 1.045 75 T CA -0.111 61.937 62.100 -0.087 0.000 1.071 75 T CB 0.842 69.670 68.868 -0.066 0.000 0.985 75 T HN 0.315 nan 8.240 nan 0.000 0.537 76 S N 1.950 117.606 115.700 -0.073 0.000 2.546 76 S HA 0.364 4.822 4.470 -0.019 0.000 0.290 76 S C 1.435 175.994 174.600 -0.068 0.000 1.290 76 S CA 0.602 58.761 58.200 -0.068 0.000 1.069 76 S CB 0.105 63.274 63.200 -0.051 0.000 0.846 76 S HN 1.266 nan 8.310 nan 0.000 0.495 77 G N 2.561 111.316 108.800 -0.074 0.000 2.155 77 G HA2 -0.190 3.758 3.960 -0.019 0.000 0.257 77 G HA3 -0.190 3.758 3.960 -0.019 0.000 0.257 77 G C 0.407 175.259 174.900 -0.080 0.000 0.983 77 G CA -0.009 45.050 45.100 -0.067 0.000 0.676 77 G HN 1.077 nan 8.290 nan 0.000 0.528 78 G N -1.512 107.221 108.800 -0.112 0.000 2.525 78 G HA2 0.570 4.518 3.960 -0.019 0.000 0.287 78 G HA3 0.570 4.518 3.960 -0.019 0.000 0.287 78 G C 1.201 175.996 174.900 -0.175 0.000 1.350 78 G CA 0.340 45.359 45.100 -0.135 0.000 1.039 78 G HN 0.654 nan 8.290 nan 0.000 0.513 79 V N 0.828 120.623 119.914 -0.199 0.000 2.323 79 V HA -0.023 4.085 4.120 -0.019 0.000 0.244 79 V C 3.113 178.954 176.094 -0.423 0.000 1.041 79 V CA 2.259 64.439 62.300 -0.200 0.000 1.025 79 V CB -1.098 30.694 31.823 -0.053 0.000 0.656 79 V HN 0.812 nan 8.190 nan 0.000 0.451 80 G N -0.491 107.701 108.800 -1.013 0.000 2.440 80 G HA2 -0.331 3.618 3.960 -0.019 0.000 0.218 80 G HA3 -0.331 3.618 3.960 -0.019 0.000 0.218 80 G C 1.523 176.068 174.900 -0.592 0.000 1.154 80 G CA 1.115 45.327 45.100 -1.480 0.000 0.767 80 G HN 0.578 nan 8.290 nan 0.000 0.552 81 E N 0.071 120.023 120.200 -0.414 0.000 2.110 81 E HA -0.123 4.215 4.350 -0.019 0.000 0.193 81 E C 2.659 179.166 176.600 -0.155 0.000 0.988 81 E CA 0.683 56.948 56.400 -0.226 0.000 0.804 81 E CB -0.068 29.526 29.700 -0.177 0.000 0.745 81 E HN 0.392 nan 8.360 nan 0.000 0.458 82 R N -0.111 120.300 120.500 -0.148 0.000 2.090 82 R HA -0.048 4.281 4.340 -0.019 0.000 0.228 82 R C 2.543 178.809 176.300 -0.056 0.000 1.110 82 R CA 0.935 56.984 56.100 -0.085 0.000 0.973 82 R CB -0.152 30.109 30.300 -0.065 0.000 0.869 82 R HN 0.271 nan 8.270 nan 0.000 0.440 83 L N 0.358 121.543 121.223 -0.064 0.000 2.056 83 L HA -0.183 4.145 4.340 -0.019 0.000 0.207 83 L C 2.658 179.533 176.870 0.008 0.000 1.078 83 L CA 1.138 55.982 54.840 0.008 0.000 0.749 83 L CB -0.415 41.686 42.059 0.070 0.000 0.901 83 L HN 0.146 nan 8.230 nan 0.000 0.433 84 Q N 0.548 120.331 119.800 -0.028 0.000 2.084 84 Q HA -0.204 4.124 4.340 -0.019 0.000 0.202 84 Q C 2.174 178.146 176.000 -0.048 0.000 0.978 84 Q CA 1.596 57.392 55.803 -0.011 0.000 0.844 84 Q CB 0.043 28.769 28.738 -0.021 0.000 0.898 84 Q HN 0.148 nan 8.270 nan 0.000 0.426 85 K N -0.403 119.967 120.400 -0.051 0.000 2.057 85 K HA -0.069 4.240 4.320 -0.019 0.000 0.207 85 K C 2.049 178.623 176.600 -0.043 0.000 1.049 85 K CA 1.290 57.547 56.287 -0.050 0.000 0.931 85 K CB -0.885 31.589 32.500 -0.044 0.000 0.714 85 K HN 0.438 nan 8.250 nan 0.000 0.440 86 G N 1.533 110.321 108.800 -0.020 0.000 2.418 86 G HA2 -0.217 3.732 3.960 -0.019 0.000 0.217 86 G HA3 -0.217 3.732 3.960 -0.019 0.000 0.217 86 G C 1.695 176.583 174.900 -0.020 0.000 1.158 86 G CA 0.501 45.603 45.100 0.004 0.000 0.771 86 G HN 0.162 nan 8.290 nan 0.000 0.545 87 L N 0.018 121.208 121.223 -0.056 0.000 2.083 87 L HA -0.049 4.279 4.340 -0.019 0.000 0.209 87 L C 2.887 179.601 176.870 -0.260 0.000 1.083 87 L CA 1.203 55.926 54.840 -0.195 0.000 0.752 87 L CB -0.416 41.435 42.059 -0.347 0.000 0.899 87 L HN 0.311 nan 8.230 nan 0.000 0.433 88 E N -0.201 119.885 120.200 -0.190 0.000 2.153 88 E HA -0.187 4.151 4.350 -0.019 0.000 0.194 88 E C 2.327 178.866 176.600 -0.101 0.000 0.988 88 E CA 0.775 57.079 56.400 -0.159 0.000 0.811 88 E CB 0.024 29.655 29.700 -0.114 0.000 0.746 88 E HN 0.407 nan 8.360 nan 0.000 0.466 89 R N 0.410 120.865 120.500 -0.075 0.000 2.090 89 R HA -0.040 4.289 4.340 -0.019 0.000 0.228 89 R C 2.405 178.678 176.300 -0.045 0.000 1.110 89 R CA 0.738 56.810 56.100 -0.047 0.000 0.973 89 R CB -0.179 30.102 30.300 -0.030 0.000 0.869 89 R HN 0.052 nan 8.270 nan 0.000 0.440 90 R N 0.757 121.219 120.500 -0.062 0.000 2.092 90 R HA -0.080 4.249 4.340 -0.019 0.000 0.231 90 R C 2.087 178.379 176.300 -0.013 0.000 1.119 90 R CA 1.414 57.479 56.100 -0.059 0.000 0.970 90 R CB -0.152 30.089 30.300 -0.099 0.000 0.864 90 R HN 0.187 nan 8.270 nan 0.000 0.440 91 A N 1.007 123.816 122.820 -0.018 0.000 2.015 91 A HA -0.101 4.208 4.320 -0.019 0.000 0.219 91 A C 1.741 179.344 177.584 0.032 0.000 1.163 91 A CA 1.107 53.179 52.037 0.059 0.000 0.646 91 A CB -0.146 18.857 19.000 0.005 0.000 0.806 91 A HN 0.158 nan 8.150 nan 0.000 0.448 92 K N 0.155 120.553 120.400 -0.003 0.000 2.296 92 K HA -0.066 4.242 4.320 -0.019 0.000 0.200 92 K C 1.209 177.809 176.600 0.001 0.000 1.048 92 K CA 1.428 57.713 56.287 -0.002 0.000 0.966 92 K CB -0.035 32.457 32.500 -0.013 0.000 0.754 92 K HN 0.827 nan 8.250 nan 0.000 0.466 93 K N -0.543 119.855 120.400 -0.004 0.000 2.414 93 K HA 0.283 4.591 4.320 -0.019 0.000 0.204 93 K C 0.357 176.952 176.600 -0.008 0.000 1.026 93 K CA -0.070 56.212 56.287 -0.008 0.000 1.108 93 K CB 0.471 32.961 32.500 -0.016 0.000 0.855 93 K HN -0.102 nan 8.250 nan 0.000 0.517 94 M N 0.658 120.260 119.600 0.004 0.000 2.593 94 M HA 0.257 4.725 4.480 -0.019 0.000 0.290 94 M C -0.014 176.304 176.300 0.031 0.000 1.244 94 M CA -0.598 54.703 55.300 0.001 0.000 0.857 94 M CB 2.514 35.099 32.600 -0.026 0.000 1.738 94 M HN -0.039 nan 8.290 nan 0.000 0.461 95 E N 0.886 121.106 120.200 0.034 0.000 2.107 95 E HA -0.055 4.283 4.350 -0.019 0.000 0.191 95 E C 0.292 176.930 176.600 0.063 0.000 0.982 95 E CA 0.813 57.268 56.400 0.092 0.000 0.809 95 E CB 0.249 30.028 29.700 0.132 0.000 0.756 95 E HN 0.401 nan 8.360 nan 0.000 0.459 96 N N -0.140 118.544 118.700 -0.026 0.000 2.549 96 N HA -0.019 4.710 4.740 -0.019 0.000 0.290 96 N C 0.060 175.494 175.510 -0.126 0.000 1.122 96 N CA -0.475 52.511 53.050 -0.107 0.000 0.885 96 N CB 0.656 39.023 38.487 -0.199 0.000 1.455 96 N HN 0.197 nan 8.380 nan 0.000 0.521 97 W N 4.076 125.309 121.300 -0.112 0.000 2.392 97 W HA -0.084 4.565 4.660 -0.019 0.000 0.279 97 W C 0.481 176.897 176.519 -0.171 0.000 1.225 97 W CA 0.310 57.551 57.345 -0.174 0.000 1.233 97 W CB -0.199 29.180 29.460 -0.136 0.000 1.122 97 W HN 0.434 nan 8.180 nan 0.000 0.561 98 L N 1.725 122.428 121.223 -0.866 0.000 2.408 98 L HA 0.107 4.435 4.340 -0.019 0.000 0.215 98 L C 2.580 179.337 176.870 -0.187 0.000 1.081 98 L CA 1.503 55.924 54.840 -0.698 0.000 0.840 98 L CB -0.630 40.673 42.059 -1.260 0.000 1.002 98 L HN -0.196 nan 8.230 nan 0.000 0.468 99 S N 0.245 115.825 115.700 -0.201 0.000 2.401 99 S HA -0.374 4.084 4.470 -0.019 0.000 0.236 99 S C 1.845 176.486 174.600 0.069 0.000 1.058 99 S CA 2.282 60.455 58.200 -0.044 0.000 1.151 99 S CB -0.495 62.651 63.200 -0.090 0.000 1.049 99 S HN 0.661 nan 8.310 nan 0.000 0.432 100 E N -0.532 119.677 120.200 0.014 0.000 2.077 100 E HA -0.177 4.161 4.350 -0.019 0.000 0.193 100 E C 1.947 178.670 176.600 0.204 0.000 0.989 100 E CA 1.185 57.622 56.400 0.062 0.000 0.800 100 E CB -0.137 29.551 29.700 -0.020 0.000 0.746 100 E HN 0.568 nan 8.360 nan 0.000 0.452 101 W N 0.761 122.107 121.300 0.077 0.000 2.335 101 W HA -0.202 4.446 4.660 -0.020 0.000 0.311 101 W C 2.226 178.811 176.519 0.110 0.000 1.213 101 W CA 0.603 58.004 57.345 0.094 0.000 1.274 101 W CB -1.412 28.131 29.460 0.138 0.000 1.148 101 W HN 0.394 nan 8.180 nan 0.000 0.498 102 W N 0.445 121.845 121.300 0.167 0.000 2.379 102 W HA -0.228 4.420 4.660 -0.020 0.000 0.307 102 W C 2.142 178.676 176.519 0.026 0.000 1.200 102 W CA 1.270 58.637 57.345 0.036 0.000 1.297 102 W CB -0.706 28.746 29.460 -0.013 0.000 1.140 102 W HN -0.184 nan 8.180 nan 0.000 0.507 103 L N 2.063 123.350 121.223 0.106 0.000 2.042 103 L HA -0.220 4.109 4.340 -0.019 0.000 0.210 103 L C 2.569 179.428 176.870 -0.018 0.000 1.076 103 L CA 2.429 57.309 54.840 0.067 0.000 0.749 103 L CB -1.083 41.059 42.059 0.138 0.000 0.893 103 L HN -0.111 nan 8.230 nan 0.000 0.432 104 K N -1.224 119.181 120.400 0.009 0.000 1.984 104 K HA -0.165 4.143 4.320 -0.019 0.000 0.209 104 K C 2.045 178.580 176.600 -0.109 0.000 1.046 104 K CA 1.962 58.248 56.287 -0.001 0.000 0.934 104 K CB -0.291 32.255 32.500 0.077 0.000 0.717 104 K HN 0.612 nan 8.250 nan 0.000 0.438 105 T N -1.520 112.930 114.554 -0.173 0.000 2.821 105 T HA 0.009 4.348 4.350 -0.019 0.000 0.267 105 T C 1.998 176.380 174.700 -0.530 0.000 1.046 105 T CA 0.983 62.920 62.100 -0.270 0.000 1.139 105 T CB -0.226 68.514 68.868 -0.214 0.000 0.871 105 T HN 0.231 nan 8.240 nan 0.000 0.454 106 A N -0.157 122.098 122.820 -0.943 0.000 1.930 106 A HA 0.266 4.574 4.320 -0.019 0.000 0.215 106 A C 1.759 178.546 177.584 -1.328 0.000 1.176 106 A CA 0.789 51.926 52.037 -1.500 0.000 0.632 106 A CB -0.451 16.979 19.000 -2.617 0.000 0.819 106 A HN 0.691 nan 8.150 nan 0.000 0.445 107 Y N -1.742 118.341 120.300 -0.362 0.000 3.011 107 Y HA 0.282 4.820 4.550 -0.019 0.000 0.231 107 Y C 1.989 177.874 175.900 -0.026 0.000 0.983 107 Y CA -0.246 57.772 58.100 -0.138 0.000 1.429 107 Y CB -0.160 38.217 38.460 -0.139 0.000 1.491 107 Y HN -0.015 nan 8.280 nan 0.000 0.444 108 L N 0.550 121.843 121.223 0.116 0.000 2.081 108 L HA -0.265 4.064 4.340 -0.019 0.000 0.212 108 L C 1.568 178.462 176.870 0.039 0.000 1.080 108 L CA 1.784 56.666 54.840 0.069 0.000 0.754 108 L CB -0.535 41.555 42.059 0.051 0.000 0.893 108 L HN 0.423 nan 8.230 nan 0.000 0.433 109 Q N -1.163 118.649 119.800 0.020 0.000 2.360 109 Q HA 0.044 4.372 4.340 -0.019 0.000 0.202 109 Q C -0.016 176.022 176.000 0.064 0.000 0.915 109 Q CA -0.272 55.542 55.803 0.017 0.000 0.943 109 Q CB 0.387 29.119 28.738 -0.011 0.000 1.064 109 Q HN 0.186 nan 8.270 nan 0.000 0.511 110 F N 1.763 121.637 119.950 -0.126 0.000 2.438 110 F HA 0.145 4.660 4.527 -0.020 0.000 0.360 110 F C 0.662 176.384 175.800 -0.130 0.000 1.118 110 F CA -0.577 57.336 58.000 -0.144 0.000 1.164 110 F CB 0.557 39.453 39.000 -0.173 0.000 1.131 110 F HN -0.161 nan 8.300 nan 0.000 0.527 111 R N 2.694 122.989 120.500 -0.342 0.000 2.300 111 R HA 0.102 4.430 4.340 -0.019 0.000 0.199 111 R C 0.512 176.208 176.300 -1.005 0.000 0.920 111 R CA 0.104 55.904 56.100 -0.501 0.000 1.046 111 R CB -0.326 29.848 30.300 -0.211 0.000 0.984 111 R HN 0.601 nan 8.270 nan 0.000 0.493 112 Q N 1.227 120.307 119.800 -1.201 0.000 2.492 112 Q HA 0.193 4.522 4.340 -0.019 0.000 0.238 112 Q C -2.114 173.506 176.000 -0.634 0.000 1.045 112 Q CA -1.877 53.337 55.803 -0.981 0.000 0.934 112 Q CB -0.231 27.882 28.738 -1.041 0.000 1.276 112 Q HN -0.040 nan 8.270 nan 0.000 0.521 113 P HA -0.103 nan 4.420 nan 0.000 0.267 113 P C 0.849 178.093 177.300 -0.092 0.000 1.201 113 P CA 0.224 63.251 63.100 -0.121 0.000 0.775 113 P CB 0.416 32.098 31.700 -0.030 0.000 0.854 114 V N 0.469 120.310 119.914 -0.121 0.000 2.719 114 V HA -0.038 4.071 4.120 -0.019 0.000 0.252 114 V C 0.834 176.843 176.094 -0.142 0.000 1.065 114 V CA 0.844 63.111 62.300 -0.055 0.000 1.086 114 V CB -0.824 30.996 31.823 -0.005 0.000 0.700 114 V HN 0.140 nan 8.190 nan 0.000 0.467 115 V N 2.075 121.787 119.914 -0.337 0.000 2.599 115 V HA 0.191 4.300 4.120 -0.019 0.000 0.300 115 V C 1.390 177.191 176.094 -0.489 0.000 1.034 115 V CA 1.061 63.058 62.300 -0.505 0.000 1.115 115 V CB 0.120 31.471 31.823 -0.787 0.000 0.934 115 V HN 0.626 nan 8.190 nan 0.000 0.485 116 I N 1.466 121.842 120.570 -0.323 0.000 4.407 116 I HA -0.442 3.716 4.170 -0.019 0.000 0.066 116 I C 1.481 177.522 176.117 -0.128 0.000 0.591 116 I CA 2.066 63.202 61.300 -0.275 0.000 1.050 116 I CB -1.251 36.437 38.000 -0.520 0.000 0.939 116 I HN 0.668 nan 8.210 nan 0.000 0.169 117 Y N -0.167 120.211 120.300 0.129 0.000 2.509 117 Y HA -0.058 4.480 4.550 -0.019 0.000 0.293 117 Y C 2.396 178.457 175.900 0.269 0.000 1.133 117 Y CA 1.087 59.317 58.100 0.217 0.000 1.283 117 Y CB 0.016 38.568 38.460 0.153 0.000 1.001 117 Y HN 0.386 nan 8.280 nan 0.000 0.555 118 S N -1.642 114.220 115.700 0.270 0.000 3.448 118 S HA 0.103 4.562 4.470 -0.019 0.000 0.254 118 S C 0.506 175.181 174.600 0.125 0.000 1.102 118 S CA -0.261 58.093 58.200 0.256 0.000 0.797 118 S CB -0.449 62.947 63.200 0.327 0.000 0.891 118 S HN 0.052 nan 8.310 nan 0.000 0.474 119 S N 4.316 120.022 115.700 0.010 0.000 2.443 119 S HA 0.391 4.850 4.470 -0.019 0.000 0.284 119 S C -2.677 171.790 174.600 -0.220 0.000 1.206 119 S CA -0.555 57.552 58.200 -0.155 0.000 1.074 119 S CB 0.879 64.035 63.200 -0.072 0.000 0.963 119 S HN 0.397 nan 8.310 nan 0.000 0.501 120 P HA 0.301 nan 4.420 nan 0.000 0.275 120 P C 0.220 177.296 177.300 -0.373 0.000 1.227 120 P CA -0.229 62.665 63.100 -0.343 0.000 0.781 120 P CB 0.628 32.096 31.700 -0.387 0.000 0.906 121 G N 0.989 109.485 108.800 -0.505 0.000 2.462 121 G HA2 0.586 4.534 3.960 -0.019 0.000 0.319 121 G HA3 0.586 4.534 3.960 -0.019 0.000 0.319 121 G C -1.313 172.943 174.900 -1.074 0.000 1.171 121 G CA -0.549 44.138 45.100 -0.689 0.000 0.920 121 G HN 0.367 nan 8.290 nan 0.000 0.499 122 V N 1.146 120.730 119.914 -0.551 0.000 2.733 122 V HA 0.392 4.500 4.120 -0.019 0.000 0.306 122 V C -0.468 175.662 176.094 0.060 0.000 1.084 122 V CA -0.534 61.602 62.300 -0.273 0.000 0.905 122 V CB 1.816 33.572 31.823 -0.113 0.000 1.010 122 V HN 0.651 nan 8.190 nan 0.000 0.424 123 I N 5.229 125.937 120.570 0.230 0.000 2.354 123 I HA 0.482 4.641 4.170 -0.019 0.000 0.292 123 I C -0.451 175.754 176.117 0.146 0.000 0.989 123 I CA -0.342 61.098 61.300 0.233 0.000 1.188 123 I CB 1.566 39.720 38.000 0.256 0.000 1.342 123 I HN 0.395 nan 8.210 nan 0.000 0.457 124 L N 7.005 128.304 121.223 0.127 0.000 2.331 124 L HA 0.557 4.885 4.340 -0.019 0.000 0.268 124 L C -2.302 174.618 176.870 0.082 0.000 1.015 124 L CA -2.036 52.874 54.840 0.115 0.000 0.807 124 L CB 0.852 43.005 42.059 0.157 0.000 1.293 124 L HN 0.270 nan 8.230 nan 0.000 0.451 125 P HA 0.009 nan 4.420 nan 0.000 0.265 125 P C -0.964 176.318 177.300 -0.030 0.000 1.193 125 P CA -0.102 63.014 63.100 0.026 0.000 0.765 125 P CB 0.414 32.131 31.700 0.028 0.000 0.823 126 K N 3.392 123.764 120.400 -0.048 0.000 2.401 126 K HA 0.030 4.338 4.320 -0.019 0.000 0.278 126 K C 0.212 176.677 176.600 -0.225 0.000 1.018 126 K CA -0.232 55.985 56.287 -0.117 0.000 0.981 126 K CB 0.346 32.806 32.500 -0.066 0.000 0.933 126 K HN 0.377 nan 8.250 nan 0.000 0.477 127 Q N 1.956 121.512 119.800 -0.406 0.000 2.256 127 Q HA 0.033 4.361 4.340 -0.019 0.000 0.232 127 Q C 0.277 175.967 176.000 -0.516 0.000 0.965 127 Q CA -0.145 55.355 55.803 -0.505 0.000 0.908 127 Q CB 1.231 29.519 28.738 -0.751 0.000 1.209 127 Q HN 0.794 nan 8.270 nan 0.000 0.489 128 D N -0.985 119.210 120.400 -0.340 0.000 2.354 128 D HA -0.024 4.605 4.640 -0.019 0.000 0.209 128 D C 0.474 176.647 176.300 -0.211 0.000 1.015 128 D CA -0.109 53.743 54.000 -0.247 0.000 0.867 128 D CB -0.478 40.254 40.800 -0.113 0.000 0.933 128 D HN 0.369 nan 8.370 nan 0.000 0.520 129 F N 0.989 120.896 119.950 -0.072 0.000 2.629 129 F HA 0.208 4.725 4.527 -0.017 0.000 0.369 129 F C 1.138 176.918 175.800 -0.033 0.000 1.125 129 F CA -0.944 57.031 58.000 -0.042 0.000 1.330 129 F CB 0.411 39.399 39.000 -0.020 0.000 1.071 129 F HN -0.125 nan 8.300 nan 0.000 0.595 130 V N -1.719 118.320 119.914 0.209 0.000 3.432 130 V HA 0.346 4.454 4.120 -0.019 0.000 0.298 130 V C -0.755 175.422 176.094 0.139 0.000 1.464 130 V CA 0.359 62.730 62.300 0.120 0.000 1.046 130 V CB -0.781 31.063 31.823 0.036 0.000 0.887 130 V HN 0.923 nan 8.190 nan 0.000 0.441 131 D N -1.277 119.218 120.400 0.158 0.000 2.592 131 D HA 0.378 5.006 4.640 -0.019 0.000 0.263 131 D C 0.679 176.965 176.300 -0.023 0.000 1.132 131 D CA -0.582 53.454 54.000 0.059 0.000 0.996 131 D CB 1.532 42.341 40.800 0.014 0.000 1.442 131 D HN -0.096 nan 8.370 nan 0.000 0.486 132 L N 0.247 121.389 121.223 -0.134 0.000 2.013 132 L HA -0.178 4.150 4.340 -0.019 0.000 0.212 132 L C 2.280 178.961 176.870 -0.315 0.000 1.073 132 L CA 2.388 57.015 54.840 -0.355 0.000 0.753 132 L CB -1.104 40.645 42.059 -0.516 0.000 0.890 132 L HN 0.771 nan 8.230 nan 0.000 0.432 133 Q N -0.968 118.737 119.800 -0.159 0.000 2.096 133 Q HA -0.160 4.168 4.340 -0.019 0.000 0.204 133 Q C 2.043 178.001 176.000 -0.071 0.000 0.982 133 Q CA 2.071 57.857 55.803 -0.030 0.000 0.850 133 Q CB -0.643 28.089 28.738 -0.010 0.000 0.901 133 Q HN 0.575 nan 8.270 nan 0.000 0.422 134 G N 0.271 109.012 108.800 -0.098 0.000 2.403 134 G HA2 -0.290 3.658 3.960 -0.019 0.000 0.216 134 G HA3 -0.290 3.658 3.960 -0.019 0.000 0.216 134 G C 1.277 175.896 174.900 -0.468 0.000 1.154 134 G CA 0.657 45.706 45.100 -0.084 0.000 0.784 134 G HN 0.493 nan 8.290 nan 0.000 0.538 135 Q N -0.182 119.109 119.800 -0.849 0.000 2.050 135 Q HA -0.005 4.323 4.340 -0.019 0.000 0.202 135 Q C 2.527 178.187 176.000 -0.567 0.000 0.980 135 Q CA 0.966 55.910 55.803 -1.431 0.000 0.840 135 Q CB -0.214 28.039 28.738 -0.808 0.000 0.898 135 Q HN 0.480 nan 8.270 nan 0.000 0.424 136 L N -0.004 121.037 121.223 -0.304 0.000 2.141 136 L HA -0.129 4.199 4.340 -0.019 0.000 0.209 136 L C 2.634 179.554 176.870 0.084 0.000 1.094 136 L CA 0.767 55.556 54.840 -0.085 0.000 0.763 136 L CB -0.297 41.711 42.059 -0.085 0.000 0.908 136 L HN 0.145 nan 8.230 nan 0.000 0.437 137 R N -0.008 120.522 120.500 0.050 0.000 2.081 137 R HA -0.182 4.146 4.340 -0.019 0.000 0.235 137 R C 2.128 178.449 176.300 0.034 0.000 1.131 137 R CA 1.571 57.666 56.100 -0.007 0.000 0.960 137 R CB -0.615 29.606 30.300 -0.132 0.000 0.856 137 R HN 0.229 nan 8.270 nan 0.000 0.436 138 F N 0.428 120.321 119.950 -0.095 0.000 2.146 138 F HA -0.023 4.494 4.527 -0.017 0.000 0.298 138 F C 1.940 177.743 175.800 0.005 0.000 1.096 138 F CA 1.346 59.345 58.000 -0.002 0.000 1.275 138 F CB -0.664 38.394 39.000 0.096 0.000 1.008 138 F HN 0.062 nan 8.300 nan 0.000 0.480 139 A N 0.590 123.327 122.820 -0.139 0.000 1.940 139 A HA -0.088 4.221 4.320 -0.019 0.000 0.219 139 A C 2.429 179.901 177.584 -0.187 0.000 1.176 139 A CA 1.902 53.825 52.037 -0.191 0.000 0.631 139 A CB -1.588 17.396 19.000 -0.028 0.000 0.814 139 A HN 0.530 nan 8.150 nan 0.000 0.446 140 A N -0.776 121.990 122.820 -0.090 0.000 1.902 140 A HA -0.121 4.187 4.320 -0.019 0.000 0.217 140 A C 2.137 179.665 177.584 -0.095 0.000 1.181 140 A CA 1.773 53.781 52.037 -0.048 0.000 0.623 140 A CB -0.332 18.707 19.000 0.065 0.000 0.818 140 A HN 0.305 nan 8.150 nan 0.000 0.443 141 K N -0.437 119.888 120.400 -0.126 0.000 2.097 141 K HA -0.027 4.281 4.320 -0.019 0.000 0.205 141 K C 1.949 178.433 176.600 -0.194 0.000 1.050 141 K CA 1.216 57.454 56.287 -0.083 0.000 0.938 141 K CB -0.626 31.855 32.500 -0.033 0.000 0.718 141 K HN 0.576 nan 8.250 nan 0.000 0.442 142 L N 0.699 121.657 121.223 -0.442 0.000 2.017 142 L HA -0.139 4.189 4.340 -0.019 0.000 0.208 142 L C 2.186 178.802 176.870 -0.424 0.000 1.073 142 L CA 1.145 55.675 54.840 -0.517 0.000 0.745 142 L CB -0.185 41.431 42.059 -0.737 0.000 0.894 142 L HN 0.053 nan 8.230 nan 0.000 0.432 143 I N 0.068 120.470 120.570 -0.280 0.000 2.163 143 I HA -0.350 3.809 4.170 -0.019 0.000 0.243 143 I C 2.564 178.585 176.117 -0.160 0.000 1.085 143 I CA 1.877 63.116 61.300 -0.103 0.000 1.347 143 I CB -0.417 37.576 38.000 -0.011 0.000 1.044 143 I HN 0.424 nan 8.210 nan 0.000 0.408 144 E N 1.039 121.123 120.200 -0.193 0.000 2.085 144 E HA -0.219 4.119 4.350 -0.019 0.000 0.194 144 E C 2.263 178.536 176.600 -0.544 0.000 0.994 144 E CA 1.473 57.722 56.400 -0.252 0.000 0.801 144 E CB -0.263 29.381 29.700 -0.093 0.000 0.743 144 E HN 0.523 nan 8.360 nan 0.000 0.453 145 G N 0.184 108.600 108.800 -0.641 0.000 2.432 145 G HA2 -0.209 3.740 3.960 -0.019 0.000 0.219 145 G HA3 -0.209 3.740 3.960 -0.019 0.000 0.219 145 G C 1.613 176.285 174.900 -0.381 0.000 1.135 145 G CA 0.881 45.513 45.100 -0.780 0.000 0.767 145 G HN 0.239 nan 8.290 nan 0.000 0.550 146 V N 0.944 120.629 119.914 -0.381 0.000 2.427 146 V HA -0.068 4.041 4.120 -0.019 0.000 0.248 146 V C 2.856 178.883 176.094 -0.111 0.000 1.051 146 V CA 1.156 63.257 62.300 -0.333 0.000 1.048 146 V CB -0.380 30.994 31.823 -0.749 0.000 0.666 146 V HN 0.336 nan 8.190 nan 0.000 0.456 147 L N 0.096 121.257 121.223 -0.103 0.000 2.131 147 L HA -0.192 4.136 4.340 -0.019 0.000 0.210 147 L C 2.319 179.158 176.870 -0.052 0.000 1.092 147 L CA 1.941 56.759 54.840 -0.037 0.000 0.759 147 L CB -0.640 41.336 42.059 -0.139 0.000 0.903 147 L HN 0.398 nan 8.230 nan 0.000 0.435 148 D N -0.086 120.226 120.400 -0.148 0.000 2.144 148 D HA -0.247 4.381 4.640 -0.019 0.000 0.200 148 D C 2.028 178.271 176.300 -0.094 0.000 0.978 148 D CA 1.052 55.005 54.000 -0.078 0.000 0.833 148 D CB -0.004 40.724 40.800 -0.120 0.000 0.961 148 D HN 0.225 nan 8.370 nan 0.000 0.470 149 F N 1.013 120.756 119.950 -0.346 0.000 2.146 149 F HA -0.037 4.479 4.527 -0.019 0.000 0.298 149 F C 2.193 177.814 175.800 -0.299 0.000 1.096 149 F CA 1.229 58.901 58.000 -0.546 0.000 1.275 149 F CB -0.066 38.639 39.000 -0.492 0.000 1.008 149 F HN -0.185 nan 8.300 nan 0.000 0.480 150 K N 0.349 120.712 120.400 -0.063 0.000 2.152 150 K HA -0.213 4.096 4.320 -0.019 0.000 0.206 150 K C 2.250 178.772 176.600 -0.129 0.000 1.048 150 K CA 1.654 57.899 56.287 -0.069 0.000 0.933 150 K CB -0.342 32.208 32.500 0.083 0.000 0.721 150 K HN 0.422 nan 8.250 nan 0.000 0.447 151 S N 0.450 116.091 115.700 -0.098 0.000 2.400 151 S HA -0.193 4.266 4.470 -0.019 0.000 0.232 151 S C 1.994 176.502 174.600 -0.153 0.000 1.025 151 S CA 1.388 59.543 58.200 -0.074 0.000 0.993 151 S CB -0.311 62.875 63.200 -0.024 0.000 0.808 151 S HN 0.342 nan 8.310 nan 0.000 0.478 152 M N 0.558 119.986 119.600 -0.286 0.000 2.254 152 M HA 0.113 4.582 4.480 -0.019 0.000 0.265 152 M C 2.114 178.210 176.300 -0.339 0.000 1.066 152 M CA 1.260 56.359 55.300 -0.336 0.000 1.123 152 M CB -0.483 31.807 32.600 -0.516 0.000 1.388 152 M HN 0.346 nan 8.290 nan 0.000 0.425 153 I N 0.040 120.356 120.570 -0.423 0.000 2.233 153 I HA -0.275 3.884 4.170 -0.019 0.000 0.243 153 I C 1.812 177.831 176.117 -0.164 0.000 1.093 153 I CA 1.056 62.097 61.300 -0.432 0.000 1.380 153 I CB -0.517 37.170 38.000 -0.521 0.000 1.067 153 I HN 0.231 nan 8.210 nan 0.000 0.413 154 D N 0.912 121.247 120.400 -0.108 0.000 2.144 154 D HA -0.151 4.478 4.640 -0.019 0.000 0.199 154 D C 1.523 177.825 176.300 0.004 0.000 0.984 154 D CA 1.348 55.336 54.000 -0.020 0.000 0.834 154 D CB -0.456 40.323 40.800 -0.035 0.000 0.955 154 D HN 0.485 nan 8.370 nan 0.000 0.465 155 N N 0.478 119.161 118.700 -0.028 0.000 2.398 155 N HA 0.006 4.734 4.740 -0.019 0.000 0.188 155 N C -0.494 175.017 175.510 0.001 0.000 1.122 155 N CA -0.036 53.005 53.050 -0.015 0.000 0.866 155 N CB 0.385 38.852 38.487 -0.033 0.000 0.970 155 N HN 0.083 nan 8.380 nan 0.000 0.462 156 E N -0.264 119.950 120.200 0.024 0.000 2.320 156 E HA -0.175 4.163 4.350 -0.019 0.000 0.234 156 E C -0.233 176.367 176.600 -0.000 0.000 1.183 156 E CA 0.774 57.215 56.400 0.068 0.000 0.713 156 E CB -1.678 28.076 29.700 0.091 0.000 1.226 156 E HN 0.521 nan 8.360 nan 0.000 0.382 157 T N -2.730 111.782 114.554 -0.070 0.000 3.132 157 T HA 0.313 4.651 4.350 -0.019 0.000 0.274 157 T C 0.338 174.949 174.700 -0.149 0.000 1.011 157 T CA -0.632 61.415 62.100 -0.088 0.000 0.899 157 T CB 0.273 69.094 68.868 -0.078 0.000 1.089 157 T HN 0.051 nan 8.240 nan 0.000 0.543 158 L N 3.644 124.741 121.223 -0.210 0.000 2.513 158 L HA 0.355 4.684 4.340 -0.019 0.000 0.272 158 L C -2.112 174.622 176.870 -0.226 0.000 1.187 158 L CA -1.789 52.863 54.840 -0.314 0.000 0.895 158 L CB 0.004 41.784 42.059 -0.464 0.000 1.147 158 L HN 0.054 nan 8.230 nan 0.000 0.483 159 P HA 0.011 nan 4.420 nan 0.000 0.265 159 P C -0.892 176.301 177.300 -0.179 0.000 1.187 159 P CA -0.262 62.761 63.100 -0.128 0.000 0.766 159 P CB 0.351 32.014 31.700 -0.063 0.000 0.820 160 V N 3.232 123.024 119.914 -0.204 0.000 2.572 160 V HA 0.046 4.154 4.120 -0.019 0.000 0.291 160 V C 0.766 176.597 176.094 -0.439 0.000 1.039 160 V CA 0.326 62.400 62.300 -0.376 0.000 1.055 160 V CB 0.096 31.662 31.823 -0.428 0.000 0.969 160 V HN 0.535 nan 8.190 nan 0.000 0.482 161 E N 3.123 123.058 120.200 -0.441 0.000 2.222 161 E HA 0.676 5.014 4.350 -0.019 0.000 0.272 161 E C -1.357 174.903 176.600 -0.567 0.000 0.982 161 E CA -0.388 55.827 56.400 -0.309 0.000 0.842 161 E CB 1.801 31.475 29.700 -0.043 0.000 1.144 161 E HN 0.526 nan 8.360 nan 0.000 0.397 162 F N 1.193 121.174 119.950 0.053 0.000 2.593 162 F HA 0.510 5.026 4.527 -0.020 0.000 0.320 162 F C -0.621 175.197 175.800 0.030 0.000 1.060 162 F CA -1.080 56.943 58.000 0.039 0.000 0.940 162 F CB 1.528 40.544 39.000 0.027 0.000 1.268 162 F HN 0.139 nan 8.300 nan 0.000 0.475 163 L N 2.067 123.416 121.223 0.211 0.000 2.620 163 L HA 0.447 4.776 4.340 -0.019 0.000 0.261 163 L C 0.043 176.964 176.870 0.085 0.000 0.978 163 L CA 0.137 55.046 54.840 0.114 0.000 0.897 163 L CB 0.941 43.039 42.059 0.065 0.000 1.207 163 L HN 0.884 nan 8.230 nan 0.000 0.425 164 G N 2.834 111.679 108.800 0.075 0.000 2.132 164 G HA2 -0.074 3.875 3.960 -0.019 0.000 0.228 164 G HA3 -0.074 3.875 3.960 -0.019 0.000 0.228 164 G C 1.007 175.933 174.900 0.044 0.000 1.000 164 G CA 0.519 45.646 45.100 0.046 0.000 0.693 164 G HN 1.978 nan 8.290 nan 0.000 0.515 165 G N -1.976 106.862 108.800 0.063 0.000 2.176 165 G HA2 -0.181 3.768 3.960 -0.019 0.000 0.253 165 G HA3 -0.181 3.768 3.960 -0.019 0.000 0.253 165 G C 0.225 175.192 174.900 0.112 0.000 0.979 165 G CA 1.097 46.206 45.100 0.014 0.000 0.641 165 G HN 1.262 nan 8.290 nan 0.000 0.530 166 Q N 0.851 120.764 119.800 0.189 0.000 2.274 166 Q HA 0.496 4.824 4.340 -0.019 0.000 0.260 166 Q C -2.411 173.773 176.000 0.307 0.000 0.974 166 Q CA -2.081 53.844 55.803 0.203 0.000 0.876 166 Q CB 2.348 31.102 28.738 0.025 0.000 1.297 166 Q HN 0.339 nan 8.270 nan 0.000 0.446 167 P HA 0.182 nan 4.420 nan 0.000 0.272 167 P C -0.595 176.683 177.300 -0.036 0.000 1.223 167 P CA -0.050 63.012 63.100 -0.063 0.000 0.784 167 P CB 0.895 32.628 31.700 0.055 0.000 0.923 168 L N 1.071 122.265 121.223 -0.048 0.000 2.330 168 L HA 0.424 4.753 4.340 -0.019 0.000 0.271 168 L C 0.894 177.878 176.870 0.189 0.000 1.013 168 L CA -1.166 53.697 54.840 0.038 0.000 0.816 168 L CB 1.808 43.886 42.059 0.030 0.000 1.287 168 L HN 0.455 nan 8.230 nan 0.000 0.435 169 C N 3.124 122.508 119.300 0.140 0.000 2.642 169 C HA 0.143 4.591 4.460 -0.019 0.000 0.420 169 C C 1.280 176.448 174.990 0.298 0.000 1.349 169 C CA -0.221 58.917 59.018 0.200 0.000 1.821 169 C CB -0.023 27.796 27.740 0.132 0.000 2.637 169 C HN 0.778 nan 8.230 nan 0.000 0.605 170 M N 4.876 124.746 119.600 0.451 0.000 2.346 170 M HA 0.103 4.571 4.480 -0.019 0.000 0.280 170 M C 1.467 178.135 176.300 0.612 0.000 1.075 170 M CA 0.213 55.865 55.300 0.587 0.000 0.989 170 M CB -1.653 31.323 32.600 0.627 0.000 1.447 170 M HN 0.906 nan 8.290 nan 0.000 0.511 171 N N 1.585 120.563 118.700 0.463 0.000 2.094 171 N HA -0.208 4.520 4.740 -0.019 0.000 0.191 171 N C 1.569 177.245 175.510 0.277 0.000 1.023 171 N CA 1.870 55.152 53.050 0.387 0.000 0.857 171 N CB 0.108 38.728 38.487 0.221 0.000 1.013 171 N HN 0.434 nan 8.380 nan 0.000 0.426 172 Q N -1.393 118.473 119.800 0.110 0.000 2.181 172 Q HA -0.195 4.133 4.340 -0.019 0.000 0.205 172 Q C 1.384 177.332 176.000 -0.086 0.000 0.980 172 Q CA 1.448 57.227 55.803 -0.041 0.000 0.862 172 Q CB -0.233 28.396 28.738 -0.181 0.000 0.905 172 Q HN 0.606 nan 8.270 nan 0.000 0.429 173 Y N -1.453 118.890 120.300 0.072 0.000 2.403 173 Y HA -0.189 4.349 4.550 -0.020 0.000 0.291 173 Y C 0.986 176.727 175.900 -0.265 0.000 1.143 173 Y CA 0.841 58.887 58.100 -0.090 0.000 1.257 173 Y CB -0.062 38.292 38.460 -0.176 0.000 0.984 173 Y HN 0.179 nan 8.280 nan 0.000 0.550 174 Y N -0.499 119.851 120.300 0.083 0.000 2.495 174 Y HA 0.069 4.608 4.550 -0.019 0.000 0.293 174 Y C 1.264 177.190 175.900 0.043 0.000 1.186 174 Y CA -0.147 57.971 58.100 0.030 0.000 1.266 174 Y CB 0.088 38.525 38.460 -0.039 0.000 1.101 174 Y HN 0.134 nan 8.280 nan 0.000 0.517 175 Q N -0.672 119.196 119.800 0.113 0.000 2.179 175 Q HA 0.211 4.539 4.340 -0.019 0.000 0.244 175 Q C 1.865 177.905 176.000 0.066 0.000 0.808 175 Q CA 0.356 56.212 55.803 0.088 0.000 0.955 175 Q CB 0.482 29.263 28.738 0.071 0.000 1.141 175 Q HN 0.687 nan 8.270 nan 0.000 0.485 176 I N -2.708 117.889 120.570 0.044 0.000 2.716 176 I HA 0.117 4.276 4.170 -0.019 0.000 0.259 176 I C 0.621 176.798 176.117 0.100 0.000 1.172 176 I CA 0.373 61.699 61.300 0.043 0.000 1.478 176 I CB 0.072 38.061 38.000 -0.018 0.000 1.104 176 I HN -0.132 nan 8.210 nan 0.000 0.439 177 L N 1.493 122.785 121.223 0.116 0.000 2.343 177 L HA 0.358 4.686 4.340 -0.019 0.000 0.275 177 L C 0.675 177.646 176.870 0.167 0.000 1.056 177 L CA -0.677 54.262 54.840 0.166 0.000 0.804 177 L CB 1.455 43.609 42.059 0.158 0.000 1.203 177 L HN 0.170 nan 8.230 nan 0.000 0.440 178 S N 0.520 116.329 115.700 0.181 0.000 3.614 178 S HA -0.160 4.299 4.470 -0.019 0.000 0.360 178 S C -0.036 174.734 174.600 0.283 0.000 1.023 178 S CA 0.900 59.210 58.200 0.183 0.000 1.114 178 S CB -1.423 61.881 63.200 0.175 0.000 0.907 178 S HN 0.887 nan 8.310 nan 0.000 0.470 179 S N -1.542 114.303 115.700 0.242 0.000 2.661 179 S HA 0.896 5.355 4.470 -0.019 0.000 0.285 179 S C -0.519 174.224 174.600 0.238 0.000 1.138 179 S CA -0.387 57.960 58.200 0.245 0.000 0.855 179 S CB 2.618 65.912 63.200 0.158 0.000 1.136 179 S HN 0.935 nan 8.310 nan 0.000 0.484 180 C N 0.650 120.088 119.300 0.230 0.000 3.302 180 C HA 0.672 5.121 4.460 -0.019 0.000 0.347 180 C C -0.751 174.354 174.990 0.193 0.000 1.218 180 C CA -0.494 58.669 59.018 0.242 0.000 1.234 180 C CB 1.503 29.419 27.740 0.293 0.000 1.551 180 C HN 1.221 nan 8.230 nan 0.000 0.501 181 R N 2.574 123.187 120.500 0.187 0.000 2.459 181 R HA 0.779 5.108 4.340 -0.019 0.000 0.281 181 R C -1.346 175.014 176.300 0.100 0.000 1.050 181 R CA -0.185 55.988 56.100 0.122 0.000 1.055 181 R CB 1.012 31.381 30.300 0.114 0.000 1.045 181 R HN 0.607 nan 8.270 nan 0.000 0.495 182 V N 5.905 125.819 119.914 0.001 0.000 2.487 182 V HA 0.364 4.473 4.120 -0.019 0.000 0.298 182 V C -2.291 173.641 176.094 -0.270 0.000 1.028 182 V CA -2.297 59.910 62.300 -0.156 0.000 0.860 182 V CB 1.766 33.533 31.823 -0.093 0.000 0.991 182 V HN 0.853 nan 8.190 nan 0.000 0.427 183 P HA 0.316 nan 4.420 nan 0.000 0.267 183 P C 0.027 177.118 177.300 -0.348 0.000 1.205 183 P CA 0.371 63.163 63.100 -0.512 0.000 0.765 183 P CB 0.713 31.792 31.700 -1.035 0.000 0.828 184 G N 3.471 112.163 108.800 -0.179 0.000 2.524 184 G HA2 0.456 4.404 3.960 -0.019 0.000 0.310 184 G HA3 0.456 4.404 3.960 -0.019 0.000 0.310 184 G C -2.063 172.800 174.900 -0.062 0.000 1.279 184 G CA -1.559 43.483 45.100 -0.097 0.000 0.974 184 G HN 0.177 nan 8.290 nan 0.000 0.484 185 P HA -0.096 nan 4.420 nan 0.000 0.220 185 P C 0.996 178.294 177.300 -0.004 0.000 1.148 185 P CA 1.148 64.240 63.100 -0.013 0.000 0.803 185 P CB 0.630 32.327 31.700 -0.005 0.000 0.782 186 K N -0.597 119.801 120.400 -0.005 0.000 2.286 186 K HA 0.059 4.367 4.320 -0.019 0.000 0.203 186 K C 1.055 177.655 176.600 0.001 0.000 1.078 186 K CA 0.230 56.518 56.287 0.002 0.000 0.957 186 K CB 0.541 33.044 32.500 0.006 0.000 1.018 186 K HN 0.156 nan 8.250 nan 0.000 0.484 187 Q N 0.219 120.016 119.800 -0.004 0.000 2.462 187 Q HA 0.323 4.651 4.340 -0.019 0.000 0.285 187 Q C -1.616 174.376 176.000 -0.013 0.000 1.035 187 Q CA -1.113 54.688 55.803 -0.002 0.000 0.799 187 Q CB 1.791 30.536 28.738 0.010 0.000 1.452 187 Q HN -0.145 nan 8.270 nan 0.000 0.404 188 D N 1.009 121.403 120.400 -0.010 0.000 2.423 188 D HA 0.548 5.176 4.640 -0.019 0.000 0.255 188 D C -0.375 175.920 176.300 -0.007 0.000 1.174 188 D CA -0.013 53.972 54.000 -0.025 0.000 1.008 188 D CB 1.433 42.224 40.800 -0.014 0.000 1.101 188 D HN 0.663 nan 8.370 nan 0.000 0.516 189 S N -1.454 114.236 115.700 -0.015 0.000 2.697 189 S HA 0.788 5.246 4.470 -0.019 0.000 0.289 189 S C -1.075 173.532 174.600 0.012 0.000 1.149 189 S CA -0.796 57.404 58.200 0.001 0.000 0.850 189 S CB 1.349 64.546 63.200 -0.005 0.000 1.151 189 S HN 0.149 nan 8.310 nan 0.000 0.491 190 V N 1.219 121.143 119.914 0.017 0.000 2.709 190 V HA 0.696 4.804 4.120 -0.019 0.000 0.308 190 V C -0.484 175.610 176.094 -0.000 0.000 1.062 190 V CA -0.681 61.636 62.300 0.029 0.000 0.901 190 V CB 1.760 33.603 31.823 0.034 0.000 1.003 190 V HN 1.073 nan 8.190 nan 0.000 0.425 191 V N 1.401 121.320 119.914 0.010 0.000 2.547 191 V HA 0.678 4.787 4.120 -0.019 0.000 0.299 191 V C -0.409 175.594 176.094 -0.151 0.000 1.040 191 V CA -0.615 61.607 62.300 -0.130 0.000 0.913 191 V CB 1.641 33.419 31.823 -0.075 0.000 0.992 191 V HN 0.957 nan 8.190 nan 0.000 0.449 192 N N 1.983 120.474 118.700 -0.349 0.000 2.549 192 N HA 0.515 5.244 4.740 -0.019 0.000 0.281 192 N C -0.821 174.511 175.510 -0.297 0.000 1.084 192 N CA -0.593 52.360 53.050 -0.162 0.000 0.862 192 N CB 1.290 39.748 38.487 -0.050 0.000 1.333 192 N HN 0.665 nan 8.380 nan 0.000 0.523 193 F N 2.628 122.613 119.950 0.059 0.000 2.664 193 F HA 0.194 4.710 4.527 -0.019 0.000 0.303 193 F C 1.646 177.474 175.800 0.047 0.000 1.092 193 F CA -0.435 57.596 58.000 0.050 0.000 1.305 193 F CB 0.224 39.252 39.000 0.047 0.000 1.054 193 F HN 0.467 nan 8.300 nan 0.000 0.565 194 L N 0.941 122.277 121.223 0.188 0.000 2.043 194 L HA -0.182 4.147 4.340 -0.019 0.000 0.212 194 L C 1.428 178.366 176.870 0.113 0.000 1.075 194 L CA 2.106 57.030 54.840 0.141 0.000 0.752 194 L CB -0.361 41.776 42.059 0.130 0.000 0.891 194 L HN 0.010 nan 8.230 nan 0.000 0.432 195 K N -0.564 119.895 120.400 0.099 0.000 2.593 195 K HA 0.200 4.508 4.320 -0.019 0.000 0.208 195 K C 0.559 177.197 176.600 0.064 0.000 1.051 195 K CA 0.215 56.547 56.287 0.075 0.000 1.111 195 K CB 0.213 32.754 32.500 0.068 0.000 0.849 195 K HN 0.437 nan 8.250 nan 0.000 0.479 196 S N 0.047 115.802 115.700 0.092 0.000 2.606 196 S HA 0.117 4.576 4.470 -0.019 0.000 0.257 196 S C 1.197 175.840 174.600 0.072 0.000 1.327 196 S CA -0.416 57.841 58.200 0.095 0.000 0.984 196 S CB 1.118 64.429 63.200 0.185 0.000 0.941 196 S HN 0.128 nan 8.310 nan 0.000 0.576 197 K N 0.838 121.277 120.400 0.065 0.000 2.002 197 K HA -0.121 4.188 4.320 -0.019 0.000 0.209 197 K C 0.866 177.490 176.600 0.040 0.000 1.048 197 K CA 1.426 57.739 56.287 0.044 0.000 0.930 197 K CB -0.245 32.279 32.500 0.040 0.000 0.714 197 K HN 0.750 nan 8.250 nan 0.000 0.438 198 R N 1.437 121.969 120.500 0.053 0.000 2.505 198 R HA 0.330 4.658 4.340 -0.019 0.000 0.284 198 R C -2.937 173.395 176.300 0.054 0.000 1.324 198 R CA -1.802 54.322 56.100 0.039 0.000 1.432 198 R CB 0.371 30.690 30.300 0.032 0.000 1.107 198 R HN -0.161 nan 8.270 nan 0.000 0.587 199 P HA 0.036 nan 4.420 nan 0.000 0.264 199 P C -2.310 175.014 177.300 0.040 0.000 1.183 199 P CA -0.615 62.520 63.100 0.058 0.000 0.763 199 P CB 0.171 31.883 31.700 0.020 0.000 0.807 200 P HA 0.016 nan 4.420 nan 0.000 0.266 200 P C 0.520 177.852 177.300 0.054 0.000 1.195 200 P CA 0.339 63.469 63.100 0.050 0.000 0.768 200 P CB 0.248 31.909 31.700 -0.065 0.000 0.838 201 T N -2.142 112.496 114.554 0.141 0.000 3.091 201 T HA 0.190 4.528 4.350 -0.019 0.000 0.277 201 T C 0.224 175.069 174.700 0.242 0.000 0.996 201 T CA -0.290 61.949 62.100 0.232 0.000 0.897 201 T CB -0.833 68.151 68.868 0.192 0.000 1.109 201 T HN 0.615 nan 8.240 nan 0.000 0.534 202 H N 0.304 119.382 119.070 0.014 0.000 2.731 202 H HA 0.806 5.350 4.556 -0.019 0.000 0.368 202 H C -0.325 174.911 175.328 -0.154 0.000 1.168 202 H CA -1.526 54.479 56.048 -0.071 0.000 1.181 202 H CB 1.393 31.111 29.762 -0.073 0.000 1.743 202 H HN 0.323 nan 8.280 nan 0.000 0.547 203 I N -0.879 119.513 120.570 -0.298 0.000 3.133 203 I HA 0.701 4.860 4.170 -0.019 0.000 0.311 203 I C -0.671 175.361 176.117 -0.142 0.000 1.072 203 I CA -1.144 59.876 61.300 -0.466 0.000 1.015 203 I CB 2.502 40.023 38.000 -0.798 0.000 1.233 203 I HN 0.801 nan 8.210 nan 0.000 0.473 204 T N 0.229 114.730 114.554 -0.089 0.000 2.912 204 T HA 0.774 5.112 4.350 -0.019 0.000 0.288 204 T C -0.551 174.223 174.700 0.122 0.000 1.030 204 T CA -0.733 61.431 62.100 0.106 0.000 1.020 204 T CB 1.918 70.899 68.868 0.188 0.000 1.056 204 T HN 0.495 nan 8.240 nan 0.000 0.480 205 V N 1.808 121.836 119.914 0.191 0.000 2.638 205 V HA 0.599 4.708 4.120 -0.019 0.000 0.306 205 V C -0.605 175.592 176.094 0.171 0.000 1.052 205 V CA -0.872 61.518 62.300 0.149 0.000 0.885 205 V CB 2.007 33.875 31.823 0.074 0.000 0.999 205 V HN 0.952 nan 8.190 nan 0.000 0.424 206 V N 2.871 122.816 119.914 0.052 0.000 2.448 206 V HA 0.657 4.766 4.120 -0.019 0.000 0.295 206 V C -0.797 175.308 176.094 0.018 0.000 1.025 206 V CA -0.625 61.592 62.300 -0.139 0.000 0.859 206 V CB 1.474 33.033 31.823 -0.440 0.000 0.988 206 V HN 1.011 nan 8.190 nan 0.000 0.431 207 H N 4.051 123.064 119.070 -0.095 0.000 2.877 207 H HA 0.451 4.995 4.556 -0.020 0.000 0.347 207 H C 0.256 175.459 175.328 -0.209 0.000 1.042 207 H CA -0.511 55.432 56.048 -0.175 0.000 1.276 207 H CB 1.211 30.809 29.762 -0.274 0.000 1.681 207 H HN 0.626 nan 8.280 nan 0.000 0.521 208 N N 4.677 122.908 118.700 -0.781 0.000 2.721 208 N HA -0.265 4.464 4.740 -0.019 0.000 0.249 208 N C -0.445 174.750 175.510 -0.527 0.000 1.072 208 N CA 1.681 54.230 53.050 -0.835 0.000 0.710 208 N CB -1.521 36.433 38.487 -0.888 0.000 0.993 208 N HN 0.959 nan 8.380 nan 0.000 0.547 209 Y N -4.197 115.991 120.300 -0.188 0.000 4.936 209 Y HA -0.375 4.163 4.550 -0.019 0.000 0.260 209 Y C 0.524 176.362 175.900 -0.103 0.000 0.928 209 Y CA 0.504 58.530 58.100 -0.124 0.000 1.869 209 Y CB -1.507 36.935 38.460 -0.030 0.000 1.344 209 Y HN 0.316 nan 8.280 nan 0.000 0.521 210 Q N 0.830 120.639 119.800 0.016 0.000 2.278 210 Q HA 0.497 4.825 4.340 -0.019 0.000 0.257 210 Q C -0.752 175.273 176.000 0.041 0.000 0.928 210 Q CA -0.592 55.261 55.803 0.083 0.000 0.932 210 Q CB 0.878 29.689 28.738 0.121 0.000 1.221 210 Q HN 0.114 nan 8.270 nan 0.000 0.434 211 F N 2.080 122.077 119.950 0.079 0.000 2.385 211 F HA 0.489 5.005 4.527 -0.019 0.000 0.336 211 F C -0.295 175.417 175.800 -0.147 0.000 1.100 211 F CA -0.371 57.681 58.000 0.085 0.000 1.116 211 F CB 0.711 39.743 39.000 0.053 0.000 1.166 211 F HN 0.387 nan 8.300 nan 0.000 0.511 212 F N 0.483 120.533 119.950 0.167 0.000 2.565 212 F HA 0.299 4.814 4.527 -0.019 0.000 0.313 212 F C -0.198 175.634 175.800 0.054 0.000 1.091 212 F CA -1.193 56.847 58.000 0.067 0.000 0.915 212 F CB 1.865 40.884 39.000 0.031 0.000 1.208 212 F HN 0.378 nan 8.300 nan 0.000 0.453 213 E N 3.192 123.489 120.200 0.162 0.000 2.130 213 E HA 0.457 4.795 4.350 -0.019 0.000 0.284 213 E C -1.725 174.928 176.600 0.089 0.000 1.018 213 E CA -0.694 55.756 56.400 0.083 0.000 0.817 213 E CB 1.039 30.669 29.700 -0.117 0.000 1.078 213 E HN 0.554 nan 8.360 nan 0.000 0.396 214 L N 5.616 126.899 121.223 0.100 0.000 2.342 214 L HA 0.372 4.701 4.340 -0.019 0.000 0.276 214 L C -1.042 175.842 176.870 0.023 0.000 0.997 214 L CA -0.566 54.294 54.840 0.032 0.000 0.838 214 L CB 1.420 43.470 42.059 -0.015 0.000 1.224 214 L HN 0.474 nan 8.230 nan 0.000 0.416 215 D N 3.461 123.868 120.400 0.012 0.000 2.424 215 D HA 0.148 4.776 4.640 -0.019 0.000 0.244 215 D C 0.879 177.130 176.300 -0.083 0.000 1.134 215 D CA 0.338 54.348 54.000 0.017 0.000 0.881 215 D CB 1.910 42.717 40.800 0.012 0.000 1.191 215 D HN 0.489 nan 8.370 nan 0.000 0.445 216 V N 0.372 120.207 119.914 -0.131 0.000 3.276 216 V HA 0.310 4.418 4.120 -0.019 0.000 0.319 216 V C -0.557 175.202 176.094 -0.558 0.000 1.427 216 V CA -0.258 61.839 62.300 -0.339 0.000 1.102 216 V CB -0.866 30.713 31.823 -0.406 0.000 1.020 216 V HN 0.280 nan 8.190 nan 0.000 0.456 217 Y N -0.386 119.821 120.300 -0.156 0.000 2.477 217 Y HA 0.683 5.222 4.550 -0.019 0.000 0.347 217 Y C 0.603 176.398 175.900 -0.176 0.000 0.981 217 Y CA -1.044 56.970 58.100 -0.143 0.000 1.033 217 Y CB 1.385 39.818 38.460 -0.046 0.000 1.245 217 Y HN 0.106 nan 8.280 nan 0.000 0.455 218 H N -0.066 119.104 119.070 0.166 0.000 2.544 218 H HA 0.054 4.599 4.556 -0.019 0.000 0.365 218 H C 1.076 176.458 175.328 0.090 0.000 1.268 218 H CA 0.553 56.658 56.048 0.095 0.000 1.400 218 H CB 1.653 31.455 29.762 0.067 0.000 1.538 218 H HN 0.749 nan 8.280 nan 0.000 0.597 219 S N 0.311 116.132 115.700 0.202 0.000 2.387 219 S HA -0.187 4.272 4.470 -0.019 0.000 0.230 219 S C 1.260 175.917 174.600 0.095 0.000 1.035 219 S CA 1.749 60.016 58.200 0.112 0.000 1.014 219 S CB -0.328 62.920 63.200 0.080 0.000 0.836 219 S HN 0.731 nan 8.310 nan 0.000 0.466 220 D N -0.598 119.869 120.400 0.113 0.000 2.352 220 D HA 0.192 4.820 4.640 -0.019 0.000 0.232 220 D C 1.355 177.705 176.300 0.082 0.000 1.055 220 D CA 0.970 55.016 54.000 0.077 0.000 0.891 220 D CB -0.793 40.041 40.800 0.056 0.000 0.897 220 D HN 0.550 nan 8.370 nan 0.000 0.529 221 G N -0.009 108.856 108.800 0.108 0.000 2.241 221 G HA2 -0.280 3.668 3.960 -0.019 0.000 0.244 221 G HA3 -0.280 3.668 3.960 -0.019 0.000 0.244 221 G C 0.542 175.546 174.900 0.174 0.000 0.998 221 G CA 0.419 45.563 45.100 0.074 0.000 0.621 221 G HN 0.826 nan 8.290 nan 0.000 0.519 222 T N 1.240 115.929 114.554 0.224 0.000 2.907 222 T HA 0.584 4.923 4.350 -0.019 0.000 0.298 222 T C -1.805 173.103 174.700 0.346 0.000 1.017 222 T CA -0.847 61.410 62.100 0.263 0.000 1.118 222 T CB 2.239 71.232 68.868 0.208 0.000 0.948 222 T HN 0.307 nan 8.240 nan 0.000 0.531 223 P HA 0.243 nan 4.420 nan 0.000 0.274 223 P C -0.317 176.949 177.300 -0.056 0.000 1.231 223 P CA -0.733 62.347 63.100 -0.033 0.000 0.790 223 P CB 0.626 32.259 31.700 -0.111 0.000 0.951 224 L N 2.137 123.193 121.223 -0.279 0.000 2.467 224 L HA 0.173 4.501 4.340 -0.019 0.000 0.270 224 L C 1.576 178.418 176.870 -0.046 0.000 1.205 224 L CA 0.802 55.522 54.840 -0.199 0.000 0.828 224 L CB -0.179 41.705 42.059 -0.292 0.000 1.101 224 L HN 0.509 nan 8.230 nan 0.000 0.479 225 T N -1.824 112.761 114.554 0.050 0.000 2.849 225 T HA 0.221 4.560 4.350 -0.019 0.000 0.284 225 T C 1.295 176.014 174.700 0.032 0.000 1.004 225 T CA -0.132 62.000 62.100 0.054 0.000 1.021 225 T CB 0.864 69.777 68.868 0.076 0.000 1.013 225 T HN 0.667 nan 8.240 nan 0.000 0.527 226 S N 0.111 115.837 115.700 0.044 0.000 2.382 226 S HA -0.200 4.258 4.470 -0.019 0.000 0.228 226 S C 1.596 176.235 174.600 0.064 0.000 1.027 226 S CA 1.476 59.699 58.200 0.039 0.000 0.991 226 S CB -0.854 62.375 63.200 0.048 0.000 0.823 226 S HN 0.852 nan 8.310 nan 0.000 0.469 227 D N 1.328 121.764 120.400 0.060 0.000 2.144 227 D HA -0.088 4.541 4.640 -0.019 0.000 0.200 227 D C 2.245 178.629 176.300 0.141 0.000 0.978 227 D CA 1.271 55.324 54.000 0.088 0.000 0.833 227 D CB -0.303 40.523 40.800 0.044 0.000 0.961 227 D HN 0.593 nan 8.370 nan 0.000 0.470 228 Q N -0.462 119.392 119.800 0.091 0.000 2.119 228 Q HA -0.035 4.293 4.340 -0.019 0.000 0.201 228 Q C 2.396 178.416 176.000 0.033 0.000 0.972 228 Q CA 0.811 56.657 55.803 0.073 0.000 0.847 228 Q CB 0.081 28.870 28.738 0.085 0.000 0.903 228 Q HN 0.411 nan 8.270 nan 0.000 0.433 229 I N 0.065 120.647 120.570 0.020 0.000 2.226 229 I HA -0.267 3.891 4.170 -0.019 0.000 0.245 229 I C 2.122 178.239 176.117 -0.001 0.000 1.100 229 I CA 0.983 62.271 61.300 -0.020 0.000 1.374 229 I CB -0.273 37.706 38.000 -0.034 0.000 1.057 229 I HN 0.178 nan 8.210 nan 0.000 0.413 230 F N 1.511 121.417 119.950 -0.072 0.000 2.091 230 F HA -0.251 4.264 4.527 -0.020 0.000 0.299 230 F C 2.372 178.125 175.800 -0.079 0.000 1.103 230 F CA 1.752 59.703 58.000 -0.082 0.000 1.228 230 F CB -0.605 38.351 39.000 -0.073 0.000 0.984 230 F HN -0.217 nan 8.300 nan 0.000 0.477 231 V N 0.697 120.521 119.914 -0.150 0.000 2.332 231 V HA -0.336 3.772 4.120 -0.019 0.000 0.248 231 V C 2.512 178.461 176.094 -0.242 0.000 1.055 231 V CA 2.184 64.352 62.300 -0.219 0.000 1.038 231 V CB -0.758 31.047 31.823 -0.030 0.000 0.651 231 V HN 0.414 nan 8.190 nan 0.000 0.450 232 Q N -0.569 119.130 119.800 -0.168 0.000 2.079 232 Q HA -0.071 4.257 4.340 -0.019 0.000 0.200 232 Q C 2.293 178.168 176.000 -0.209 0.000 0.974 232 Q CA 1.395 57.107 55.803 -0.152 0.000 0.840 232 Q CB -0.407 28.267 28.738 -0.106 0.000 0.898 232 Q HN 0.555 nan 8.270 nan 0.000 0.430 233 L N 0.745 121.821 121.223 -0.245 0.000 2.083 233 L HA -0.193 4.135 4.340 -0.019 0.000 0.209 233 L C 2.270 178.964 176.870 -0.295 0.000 1.083 233 L CA 1.168 55.859 54.840 -0.249 0.000 0.752 233 L CB -0.443 41.485 42.059 -0.218 0.000 0.899 233 L HN 0.278 nan 8.230 nan 0.000 0.433 234 E N 0.405 120.345 120.200 -0.432 0.000 2.051 234 E HA -0.231 4.108 4.350 -0.019 0.000 0.192 234 E C 2.171 178.653 176.600 -0.196 0.000 0.991 234 E CA 1.154 57.329 56.400 -0.374 0.000 0.799 234 E CB -0.048 29.359 29.700 -0.488 0.000 0.748 234 E HN 0.476 nan 8.360 nan 0.000 0.449 235 K N 0.678 120.961 120.400 -0.197 0.000 2.032 235 K HA -0.144 4.165 4.320 -0.019 0.000 0.209 235 K C 2.226 178.712 176.600 -0.190 0.000 1.048 235 K CA 1.191 57.395 56.287 -0.137 0.000 0.927 235 K CB -0.209 32.224 32.500 -0.111 0.000 0.712 235 K HN 0.108 nan 8.250 nan 0.000 0.441 236 I N 0.245 120.617 120.570 -0.330 0.000 2.127 236 I HA -0.315 3.843 4.170 -0.019 0.000 0.241 236 I C 2.425 178.232 176.117 -0.516 0.000 1.075 236 I CA 1.202 62.070 61.300 -0.720 0.000 1.334 236 I CB -0.377 37.167 38.000 -0.760 0.000 1.040 236 I HN 0.441 nan 8.210 nan 0.000 0.405 237 W N 2.564 123.576 121.300 -0.480 0.000 2.317 237 W HA -0.262 4.386 4.660 -0.020 0.000 0.318 237 W C 2.176 178.579 176.519 -0.193 0.000 1.227 237 W CA 1.806 58.883 57.345 -0.447 0.000 1.269 237 W CB -0.587 28.598 29.460 -0.459 0.000 1.155 237 W HN 0.232 nan 8.180 nan 0.000 0.484 238 N N 0.183 118.960 118.700 0.127 0.000 2.520 238 N HA -0.100 4.628 4.740 -0.019 0.000 0.185 238 N C 1.429 176.965 175.510 0.045 0.000 1.068 238 N CA 1.241 54.355 53.050 0.105 0.000 0.911 238 N CB -0.437 38.098 38.487 0.079 0.000 0.961 238 N HN -0.014 nan 8.380 nan 0.000 0.446 239 S N -0.543 115.166 115.700 0.016 0.000 2.577 239 S HA 0.077 4.535 4.470 -0.019 0.000 0.219 239 S C 0.702 175.435 174.600 0.221 0.000 0.962 239 S CA -0.217 58.058 58.200 0.126 0.000 0.921 239 S CB 0.202 63.535 63.200 0.220 0.000 0.789 239 S HN 0.391 nan 8.310 nan 0.000 0.497 240 S N 0.105 115.872 115.700 0.111 0.000 2.828 240 S HA 0.344 4.803 4.470 -0.019 0.000 0.240 240 S C 0.674 175.219 174.600 -0.092 0.000 0.912 240 S CA -0.452 57.804 58.200 0.093 0.000 1.100 240 S CB -0.703 62.642 63.200 0.241 0.000 1.271 240 S HN 0.241 nan 8.310 nan 0.000 0.476 241 L N 0.550 121.729 121.223 -0.073 0.000 2.083 241 L HA 0.009 4.337 4.340 -0.019 0.000 0.209 241 L C 1.393 178.181 176.870 -0.136 0.000 1.083 241 L CA 1.176 55.956 54.840 -0.099 0.000 0.752 241 L CB -0.267 41.791 42.059 -0.002 0.000 0.899 241 L HN 0.511 nan 8.230 nan 0.000 0.433 242 Q N -0.575 119.158 119.800 -0.112 0.000 2.204 242 Q HA 0.192 4.520 4.340 -0.019 0.000 0.254 242 Q C 0.311 176.207 176.000 -0.173 0.000 0.981 242 Q CA -0.202 55.532 55.803 -0.116 0.000 0.897 242 Q CB 1.719 30.424 28.738 -0.056 0.000 1.273 242 Q HN 0.103 nan 8.270 nan 0.000 0.464 243 S N 0.383 115.979 115.700 -0.173 0.000 2.489 243 S HA 0.217 4.675 4.470 -0.019 0.000 0.237 243 S C -0.236 174.323 174.600 -0.070 0.000 1.220 243 S CA -0.593 57.482 58.200 -0.208 0.000 1.231 243 S CB -0.162 62.860 63.200 -0.298 0.000 0.900 243 S HN 0.444 nan 8.310 nan 0.000 0.492 244 N N 2.469 121.148 118.700 -0.035 0.000 2.575 244 N HA 0.233 4.961 4.740 -0.019 0.000 0.275 244 N C -0.762 174.771 175.510 0.038 0.000 1.202 244 N CA -0.028 53.026 53.050 0.007 0.000 0.945 244 N CB 0.349 38.837 38.487 0.001 0.000 1.247 244 N HN 0.432 nan 8.380 nan 0.000 0.510 245 K N 0.718 121.162 120.400 0.073 0.000 2.464 245 K HA 0.274 4.582 4.320 -0.019 0.000 0.253 245 K C -0.062 176.640 176.600 0.171 0.000 0.933 245 K CA -0.608 55.747 56.287 0.115 0.000 0.801 245 K CB 2.210 34.782 32.500 0.121 0.000 1.271 245 K HN -0.013 nan 8.250 nan 0.000 0.430 246 E N 3.114 123.392 120.200 0.129 0.000 2.414 246 E HA 0.056 4.395 4.350 -0.019 0.000 0.263 246 E C -1.988 174.662 176.600 0.083 0.000 1.000 246 E CA -1.510 54.943 56.400 0.088 0.000 0.914 246 E CB 0.255 29.985 29.700 0.051 0.000 0.948 246 E HN 0.191 nan 8.360 nan 0.000 0.444 247 P HA 0.061 nan 4.420 nan 0.000 0.238 247 P C 0.826 178.061 177.300 -0.107 0.000 1.794 247 P CA -0.031 62.946 63.100 -0.205 0.000 1.088 247 P CB 0.188 31.492 31.700 -0.659 0.000 1.923 248 V N 2.884 122.792 119.914 -0.010 0.000 2.392 248 V HA -0.205 3.904 4.120 -0.019 0.000 0.249 248 V C 2.775 178.814 176.094 -0.092 0.000 1.059 248 V CA 2.665 64.892 62.300 -0.121 0.000 1.051 248 V CB -1.503 30.076 31.823 -0.407 0.000 0.658 248 V HN 0.456 nan 8.190 nan 0.000 0.455 249 G N -0.651 108.239 108.800 0.150 0.000 2.448 249 G HA2 -0.253 3.696 3.960 -0.019 0.000 0.219 249 G HA3 -0.253 3.696 3.960 -0.019 0.000 0.219 249 G C 1.590 176.379 174.900 -0.185 0.000 1.127 249 G CA 0.748 45.929 45.100 0.136 0.000 0.766 249 G HN 0.529 nan 8.290 nan 0.000 0.552 250 I N 0.281 120.748 120.570 -0.171 0.000 2.700 250 I HA -0.049 4.109 4.170 -0.019 0.000 0.261 250 I C 2.352 178.269 176.117 -0.334 0.000 1.219 250 I CA 0.341 61.533 61.300 -0.181 0.000 1.463 250 I CB 0.092 37.986 38.000 -0.176 0.000 1.092 250 I HN 0.151 nan 8.210 nan 0.000 0.452 251 L N 0.133 121.055 121.223 -0.501 0.000 2.131 251 L HA -0.199 4.129 4.340 -0.019 0.000 0.210 251 L C 2.514 178.600 176.870 -1.308 0.000 1.092 251 L CA 1.801 56.200 54.840 -0.735 0.000 0.759 251 L CB -0.968 40.653 42.059 -0.731 0.000 0.903 251 L HN 0.413 nan 8.230 nan 0.000 0.435 252 T N -3.983 109.726 114.554 -1.409 0.000 3.098 252 T HA -0.082 4.257 4.350 -0.019 0.000 0.266 252 T C 1.693 175.989 174.700 -0.674 0.000 1.145 252 T CA 0.919 62.167 62.100 -1.420 0.000 1.092 252 T CB -0.306 67.957 68.868 -1.010 0.000 0.908 252 T HN 0.425 nan 8.240 nan 0.000 0.526 253 S N -0.195 115.219 115.700 -0.476 0.000 2.548 253 S HA 0.191 4.649 4.470 -0.019 0.000 0.215 253 S C 0.801 175.215 174.600 -0.310 0.000 0.976 253 S CA -0.684 57.271 58.200 -0.408 0.000 0.908 253 S CB -0.355 62.624 63.200 -0.368 0.000 0.781 253 S HN 0.400 nan 8.310 nan 0.000 0.519 254 N N 1.937 120.465 118.700 -0.288 0.000 2.379 254 N HA 0.160 4.888 4.740 -0.019 0.000 0.260 254 N C -0.365 175.134 175.510 -0.018 0.000 1.254 254 N CA -0.281 52.700 53.050 -0.116 0.000 0.958 254 N CB 0.331 38.778 38.487 -0.067 0.000 1.208 254 N HN 0.460 nan 8.380 nan 0.000 0.532 255 H N 0.946 119.992 119.070 -0.041 0.000 2.972 255 H HA 0.015 4.559 4.556 -0.019 0.000 0.343 255 H C 1.200 176.540 175.328 0.021 0.000 1.054 255 H CA 0.183 56.207 56.048 -0.040 0.000 1.412 255 H CB 0.730 30.460 29.762 -0.053 0.000 1.385 255 H HN 0.337 nan 8.280 nan 0.000 0.600 256 R N 3.281 123.670 120.500 -0.184 0.000 2.127 256 R HA -0.147 4.181 4.340 -0.019 0.000 0.238 256 R C 1.445 177.827 176.300 0.137 0.000 1.134 256 R CA 1.161 57.265 56.100 0.006 0.000 0.975 256 R CB -0.693 29.530 30.300 -0.127 0.000 0.865 256 R HN 0.683 nan 8.270 nan 0.000 0.447 257 N N 0.046 118.936 118.700 0.316 0.000 2.084 257 N HA -0.093 4.635 4.740 -0.019 0.000 0.190 257 N C 1.656 177.257 175.510 0.151 0.000 1.030 257 N CA 1.910 55.081 53.050 0.202 0.000 0.849 257 N CB -0.613 37.976 38.487 0.169 0.000 1.012 257 N HN 0.181 nan 8.380 nan 0.000 0.423 258 T N 0.073 114.741 114.554 0.191 0.000 2.708 258 T HA -0.169 4.170 4.350 -0.019 0.000 0.266 258 T C 1.538 176.381 174.700 0.238 0.000 1.037 258 T CA 0.979 63.169 62.100 0.151 0.000 1.146 258 T CB -0.476 68.468 68.868 0.126 0.000 0.865 258 T HN 0.482 nan 8.240 nan 0.000 0.435 259 W N 1.689 123.000 121.300 0.018 0.000 2.363 259 W HA -0.107 4.542 4.660 -0.019 0.000 0.296 259 W C 2.495 179.041 176.519 0.045 0.000 1.212 259 W CA 0.569 57.914 57.345 0.001 0.000 1.260 259 W CB -0.139 29.287 29.460 -0.056 0.000 1.131 259 W HN 0.303 nan 8.180 nan 0.000 0.530 260 A N 0.884 123.684 122.820 -0.033 0.000 1.902 260 A HA -0.274 4.035 4.320 -0.019 0.000 0.217 260 A C 1.970 179.515 177.584 -0.065 0.000 1.181 260 A CA 2.074 54.007 52.037 -0.173 0.000 0.623 260 A CB -0.947 18.003 19.000 -0.083 0.000 0.818 260 A HN 0.383 nan 8.150 nan 0.000 0.443 261 K N -0.500 119.909 120.400 0.016 0.000 2.031 261 K HA -0.004 4.304 4.320 -0.019 0.000 0.205 261 K C 2.162 178.791 176.600 0.048 0.000 1.049 261 K CA 1.089 57.394 56.287 0.030 0.000 0.939 261 K CB -0.315 32.209 32.500 0.040 0.000 0.717 261 K HN 0.341 nan 8.250 nan 0.000 0.438 262 A N 0.370 123.266 122.820 0.126 0.000 1.933 262 A HA -0.189 4.120 4.320 -0.019 0.000 0.218 262 A C 2.023 179.692 177.584 0.142 0.000 1.175 262 A CA 1.322 53.476 52.037 0.195 0.000 0.628 262 A CB -0.795 18.425 19.000 0.367 0.000 0.814 262 A HN 0.589 nan 8.150 nan 0.000 0.444 263 Y N 1.242 121.374 120.300 -0.281 0.000 2.089 263 Y HA -0.232 4.306 4.550 -0.019 0.000 0.282 263 Y C 2.362 178.126 175.900 -0.225 0.000 1.139 263 Y CA 2.068 59.813 58.100 -0.592 0.000 1.123 263 Y CB -0.457 37.259 38.460 -1.240 0.000 0.980 263 Y HN 0.424 nan 8.280 nan 0.000 0.493 264 N N 0.636 119.261 118.700 -0.125 0.000 2.137 264 N HA -0.293 4.435 4.740 -0.019 0.000 0.190 264 N C 1.583 177.012 175.510 -0.136 0.000 1.017 264 N CA 1.890 54.861 53.050 -0.131 0.000 0.859 264 N CB -0.533 37.943 38.487 -0.018 0.000 1.002 264 N HN 0.545 nan 8.380 nan 0.000 0.428 265 N N 0.307 118.962 118.700 -0.075 0.000 2.216 265 N HA -0.096 4.632 4.740 -0.019 0.000 0.183 265 N C 1.860 177.342 175.510 -0.047 0.000 1.017 265 N CA 0.494 53.520 53.050 -0.040 0.000 0.861 265 N CB -0.327 38.162 38.487 0.002 0.000 0.986 265 N HN 0.174 nan 8.380 nan 0.000 0.428 266 L N 1.285 122.475 121.223 -0.054 0.000 2.012 266 L HA -0.038 4.290 4.340 -0.019 0.000 0.210 266 L C 1.650 178.489 176.870 -0.052 0.000 1.073 266 L CA 1.539 56.369 54.840 -0.018 0.000 0.748 266 L CB -0.667 41.418 42.059 0.044 0.000 0.891 266 L HN 0.467 nan 8.230 nan 0.000 0.431 267 I N -4.157 116.293 120.570 -0.201 0.000 3.605 267 I HA -0.035 4.123 4.170 -0.019 0.000 0.301 267 I C 1.827 177.882 176.117 -0.102 0.000 1.267 267 I CA 0.391 61.583 61.300 -0.179 0.000 1.236 267 I CB -0.615 37.172 38.000 -0.356 0.000 1.010 267 I HN 0.160 nan 8.210 nan 0.000 0.491 268 K N 1.297 121.655 120.400 -0.070 0.000 2.103 268 K HA -0.086 4.222 4.320 -0.019 0.000 0.204 268 K C 0.499 177.086 176.600 -0.022 0.000 1.052 268 K CA 0.964 57.226 56.287 -0.041 0.000 0.945 268 K CB -0.137 32.347 32.500 -0.027 0.000 0.722 268 K HN 0.403 nan 8.250 nan 0.000 0.443 269 D N 0.840 121.236 120.400 -0.007 0.000 2.348 269 D HA -0.027 4.601 4.640 -0.019 0.000 0.253 269 D C 0.916 177.212 176.300 -0.008 0.000 1.161 269 D CA -0.027 53.975 54.000 0.003 0.000 0.876 269 D CB 1.003 41.820 40.800 0.028 0.000 1.160 269 D HN 0.072 nan 8.370 nan 0.000 0.459 270 K N 2.090 122.480 120.400 -0.018 0.000 2.103 270 K HA -0.154 4.155 4.320 -0.019 0.000 0.207 270 K C 1.429 178.002 176.600 -0.046 0.000 1.048 270 K CA 1.047 57.316 56.287 -0.030 0.000 0.930 270 K CB -0.318 32.164 32.500 -0.030 0.000 0.716 270 K HN 0.284 nan 8.250 nan 0.000 0.444 271 V N 2.566 122.451 119.914 -0.048 0.000 2.307 271 V HA -0.242 3.867 4.120 -0.019 0.000 0.245 271 V C 1.871 177.895 176.094 -0.117 0.000 1.045 271 V CA 2.044 64.291 62.300 -0.088 0.000 1.024 271 V CB -0.747 31.029 31.823 -0.079 0.000 0.651 271 V HN 0.420 nan 8.190 nan 0.000 0.449 272 N N 0.283 118.970 118.700 -0.021 0.000 2.104 272 N HA -0.193 4.536 4.740 -0.019 0.000 0.190 272 N C 1.933 177.477 175.510 0.055 0.000 1.024 272 N CA 1.519 54.631 53.050 0.104 0.000 0.853 272 N CB -0.514 38.146 38.487 0.287 0.000 1.008 272 N HN 0.452 nan 8.380 nan 0.000 0.424 273 R N 1.123 121.621 120.500 -0.002 0.000 2.096 273 R HA -0.081 4.248 4.340 -0.019 0.000 0.235 273 R C 1.956 178.222 176.300 -0.058 0.000 1.127 273 R CA 1.313 57.396 56.100 -0.028 0.000 0.968 273 R CB -0.024 30.252 30.300 -0.039 0.000 0.861 273 R HN 0.341 nan 8.270 nan 0.000 0.440 274 E N -0.505 119.636 120.200 -0.099 0.000 2.107 274 E HA -0.109 4.229 4.350 -0.019 0.000 0.191 274 E C 1.587 178.066 176.600 -0.202 0.000 0.982 274 E CA 1.308 57.627 56.400 -0.136 0.000 0.809 274 E CB 0.115 29.730 29.700 -0.140 0.000 0.756 274 E HN 0.277 nan 8.360 nan 0.000 0.459 275 S N -0.002 115.522 115.700 -0.293 0.000 2.368 275 S HA -0.117 4.341 4.470 -0.019 0.000 0.224 275 S C 2.009 176.402 174.600 -0.345 0.000 1.029 275 S CA 1.023 58.954 58.200 -0.448 0.000 0.988 275 S CB -0.077 62.538 63.200 -0.974 0.000 0.838 275 S HN 0.139 nan 8.310 nan 0.000 0.462 276 V N 3.013 122.826 119.914 -0.169 0.000 2.343 276 V HA -0.183 3.926 4.120 -0.019 0.000 0.247 276 V C 2.335 178.339 176.094 -0.150 0.000 1.051 276 V CA 1.626 63.834 62.300 -0.154 0.000 1.036 276 V CB -0.766 31.135 31.823 0.130 0.000 0.654 276 V HN 0.588 nan 8.190 nan 0.000 0.451 277 N N -0.238 118.407 118.700 -0.093 0.000 2.104 277 N HA -0.217 4.512 4.740 -0.019 0.000 0.190 277 N C 2.146 177.562 175.510 -0.157 0.000 1.024 277 N CA 1.755 54.755 53.050 -0.084 0.000 0.853 277 N CB 0.004 38.448 38.487 -0.071 0.000 1.008 277 N HN 0.452 nan 8.380 nan 0.000 0.424 278 S N 0.537 116.130 115.700 -0.178 0.000 2.368 278 S HA -0.032 4.427 4.470 -0.019 0.000 0.224 278 S C 2.095 176.668 174.600 -0.044 0.000 1.029 278 S CA 0.644 58.768 58.200 -0.128 0.000 0.988 278 S CB -0.209 62.869 63.200 -0.203 0.000 0.838 278 S HN 0.331 nan 8.310 nan 0.000 0.462 279 I N 1.321 121.755 120.570 -0.226 0.000 2.179 279 I HA -0.218 3.941 4.170 -0.019 0.000 0.242 279 I C 2.806 178.799 176.117 -0.207 0.000 1.088 279 I CA 1.428 62.541 61.300 -0.312 0.000 1.357 279 I CB -0.480 37.028 38.000 -0.820 0.000 1.051 279 I HN 0.401 nan 8.210 nan 0.000 0.409 280 Q N 0.722 120.424 119.800 -0.163 0.000 2.124 280 Q HA -0.213 4.115 4.340 -0.019 0.000 0.202 280 Q C 2.109 178.092 176.000 -0.028 0.000 0.977 280 Q CA 1.344 57.158 55.803 0.019 0.000 0.850 280 Q CB -0.115 28.714 28.738 0.152 0.000 0.901 280 Q HN 0.503 nan 8.270 nan 0.000 0.429 281 K N 0.896 121.117 120.400 -0.297 0.000 2.243 281 K HA 0.013 4.321 4.320 -0.019 0.000 0.201 281 K C 0.918 177.335 176.600 -0.304 0.000 1.051 281 K CA 0.367 56.320 56.287 -0.556 0.000 0.970 281 K CB 0.102 32.149 32.500 -0.755 0.000 0.755 281 K HN 0.139 nan 8.250 nan 0.000 0.465 282 S N 1.072 116.577 115.700 -0.325 0.000 2.561 282 S HA -0.048 4.410 4.470 -0.019 0.000 0.294 282 S C 1.293 175.729 174.600 -0.274 0.000 1.294 282 S CA -0.235 57.618 58.200 -0.579 0.000 1.055 282 S CB 0.199 63.189 63.200 -0.349 0.000 0.819 282 S HN 0.126 nan 8.310 nan 0.000 0.503 283 I N 1.539 121.925 120.570 -0.307 0.000 2.194 283 I HA -0.067 4.092 4.170 -0.019 0.000 0.246 283 I C 0.771 177.002 176.117 0.191 0.000 1.093 283 I CA 1.514 62.797 61.300 -0.030 0.000 1.355 283 I CB -0.517 37.480 38.000 -0.005 0.000 1.046 283 I HN 0.837 nan 8.210 nan 0.000 0.413 284 F N -3.074 116.898 119.950 0.036 0.000 2.900 284 F HA 0.506 5.021 4.527 -0.019 0.000 0.321 284 F C -1.007 174.876 175.800 0.138 0.000 1.160 284 F CA -1.234 56.845 58.000 0.132 0.000 0.890 284 F CB 0.741 39.892 39.000 0.252 0.000 1.334 284 F HN -0.515 nan 8.300 nan 0.000 0.459 285 T N 1.630 116.459 114.554 0.458 0.000 2.856 285 T HA 0.700 5.039 4.350 -0.019 0.000 0.283 285 T C -1.235 173.748 174.700 0.471 0.000 1.008 285 T CA -0.674 61.625 62.100 0.332 0.000 0.997 285 T CB 1.933 70.982 68.868 0.302 0.000 0.992 285 T HN 0.606 nan 8.240 nan 0.000 0.454 286 V N 2.227 122.339 119.914 0.330 0.000 2.448 286 V HA 0.353 4.462 4.120 -0.019 0.000 0.295 286 V C -0.351 175.874 176.094 0.218 0.000 1.025 286 V CA -0.826 61.668 62.300 0.324 0.000 0.859 286 V CB 1.415 33.391 31.823 0.255 0.000 0.988 286 V HN 1.064 nan 8.190 nan 0.000 0.431 287 C N 6.427 125.857 119.300 0.216 0.000 2.264 287 C HA 0.541 4.989 4.460 -0.019 0.000 0.324 287 C C 0.302 175.409 174.990 0.195 0.000 1.267 287 C CA -0.899 58.217 59.018 0.164 0.000 1.618 287 C CB -0.227 27.598 27.740 0.140 0.000 2.278 287 C HN 0.705 nan 8.230 nan 0.000 0.499 288 L N 3.952 125.294 121.223 0.199 0.000 2.288 288 L HA 0.269 4.598 4.340 -0.019 0.000 0.283 288 L C -0.159 176.883 176.870 0.287 0.000 1.072 288 L CA 0.049 55.052 54.840 0.272 0.000 0.862 288 L CB -0.131 42.115 42.059 0.311 0.000 1.245 288 L HN 0.614 nan 8.230 nan 0.000 0.432 289 D N 2.772 123.329 120.400 0.262 0.000 2.362 289 D HA 0.159 4.788 4.640 -0.019 0.000 0.242 289 D C 0.284 176.734 176.300 0.250 0.000 1.132 289 D CA -0.076 54.060 54.000 0.227 0.000 0.907 289 D CB 1.024 41.953 40.800 0.215 0.000 1.195 289 D HN 0.402 nan 8.370 nan 0.000 0.429 290 K N 0.259 120.768 120.400 0.182 0.000 2.109 290 K HA 0.270 4.578 4.320 -0.019 0.000 0.243 290 K C 0.155 176.878 176.600 0.205 0.000 1.006 290 K CA -0.902 55.489 56.287 0.174 0.000 0.917 290 K CB 0.924 33.454 32.500 0.049 0.000 1.081 290 K HN 0.292 nan 8.250 nan 0.000 0.468 291 Q N 1.127 121.047 119.800 0.199 0.000 2.361 291 Q HA 0.110 4.438 4.340 -0.019 0.000 0.276 291 Q C -0.602 175.519 176.000 0.202 0.000 1.022 291 Q CA -0.494 55.422 55.803 0.188 0.000 0.898 291 Q CB 0.723 29.560 28.738 0.165 0.000 1.246 291 Q HN 0.533 nan 8.270 nan 0.000 0.410 292 V N 1.229 121.255 119.914 0.187 0.000 3.001 292 V HA 0.668 4.776 4.120 -0.019 0.000 0.314 292 V C -2.427 173.757 176.094 0.151 0.000 1.099 292 V CA -2.215 60.206 62.300 0.203 0.000 0.989 292 V CB 0.853 32.728 31.823 0.087 0.000 1.040 292 V HN 0.791 nan 8.190 nan 0.000 0.434 293 P HA 0.235 nan 4.420 nan 0.000 0.267 293 P C -0.528 176.805 177.300 0.056 0.000 1.201 293 P CA -0.101 63.073 63.100 0.124 0.000 0.775 293 P CB 0.248 32.050 31.700 0.170 0.000 0.854 294 R N 1.837 122.359 120.500 0.036 0.000 2.539 294 R HA 0.471 4.799 4.340 -0.019 0.000 0.275 294 R C -0.865 175.410 176.300 -0.043 0.000 1.077 294 R CA -0.257 55.842 56.100 -0.002 0.000 1.097 294 R CB 0.114 30.408 30.300 -0.009 0.000 1.018 294 R HN 0.350 nan 8.270 nan 0.000 0.483 295 V N -0.112 119.752 119.914 -0.083 0.000 3.159 295 V HA 0.577 4.686 4.120 -0.019 0.000 0.308 295 V C -0.597 175.433 176.094 -0.107 0.000 1.190 295 V CA -1.153 61.054 62.300 -0.156 0.000 1.037 295 V CB 1.956 33.511 31.823 -0.446 0.000 1.060 295 V HN 0.838 nan 8.190 nan 0.000 0.437 296 S N 1.596 117.241 115.700 -0.091 0.000 2.558 296 S HA 0.022 4.480 4.470 -0.019 0.000 0.291 296 S C 0.739 175.321 174.600 -0.030 0.000 1.306 296 S CA 0.200 58.371 58.200 -0.049 0.000 1.056 296 S CB 0.258 63.444 63.200 -0.022 0.000 0.836 296 S HN 0.917 nan 8.310 nan 0.000 0.504 297 D N 2.093 122.472 120.400 -0.036 0.000 2.182 297 D HA -0.146 4.482 4.640 -0.019 0.000 0.201 297 D C 1.735 178.063 176.300 0.047 0.000 0.986 297 D CA 1.253 55.240 54.000 -0.022 0.000 0.847 297 D CB -0.267 40.495 40.800 -0.063 0.000 0.942 297 D HN 0.771 nan 8.370 nan 0.000 0.467 298 D N 0.723 121.142 120.400 0.032 0.000 2.264 298 D HA -0.114 4.514 4.640 -0.019 0.000 0.208 298 D C 1.811 178.155 176.300 0.074 0.000 0.966 298 D CA 0.820 54.850 54.000 0.050 0.000 0.864 298 D CB -0.132 40.692 40.800 0.040 0.000 0.933 298 D HN 0.309 nan 8.370 nan 0.000 0.499 299 V N -3.083 116.877 119.914 0.076 0.000 3.578 299 V HA 0.128 4.236 4.120 -0.019 0.000 0.290 299 V C 2.089 178.270 176.094 0.144 0.000 1.376 299 V CA -0.493 61.877 62.300 0.117 0.000 1.083 299 V CB -0.945 30.959 31.823 0.135 0.000 0.911 299 V HN -0.066 nan 8.190 nan 0.000 0.433 300 Y N 2.528 122.805 120.300 -0.039 0.000 2.053 300 Y HA -0.228 4.314 4.550 -0.013 0.000 0.277 300 Y C 2.792 178.700 175.900 0.013 0.000 1.159 300 Y CA 2.672 60.741 58.100 -0.052 0.000 1.125 300 Y CB -0.303 38.120 38.460 -0.062 0.000 0.969 300 Y HN 0.237 nan 8.280 nan 0.000 0.492 301 R N 0.156 120.593 120.500 -0.105 0.000 2.127 301 R HA -0.191 4.138 4.340 -0.019 0.000 0.238 301 R C 1.825 178.008 176.300 -0.194 0.000 1.134 301 R CA 1.711 57.690 56.100 -0.202 0.000 0.975 301 R CB -0.233 30.041 30.300 -0.044 0.000 0.865 301 R HN 0.431 nan 8.270 nan 0.000 0.447 302 N N -0.423 118.224 118.700 -0.088 0.000 2.270 302 N HA -0.126 4.603 4.740 -0.019 0.000 0.181 302 N C 1.379 176.794 175.510 -0.158 0.000 1.016 302 N CA 1.207 54.186 53.050 -0.119 0.000 0.870 302 N CB -0.339 38.127 38.487 -0.034 0.000 0.979 302 N HN 0.374 nan 8.380 nan 0.000 0.431 303 H N 0.009 118.951 119.070 -0.213 0.000 2.395 303 H HA 0.088 4.634 4.556 -0.017 0.000 0.299 303 H C 2.032 177.196 175.328 -0.273 0.000 1.070 303 H CA 0.722 56.645 56.048 -0.208 0.000 1.356 303 H CB -0.137 29.526 29.762 -0.164 0.000 1.401 303 H HN -0.074 nan 8.280 nan 0.000 0.524 304 V N 0.525 120.283 119.914 -0.260 0.000 2.358 304 V HA -0.249 3.860 4.120 -0.019 0.000 0.246 304 V C 2.571 178.532 176.094 -0.222 0.000 1.047 304 V CA 1.563 63.699 62.300 -0.274 0.000 1.035 304 V CB -1.043 30.542 31.823 -0.398 0.000 0.658 304 V HN 0.561 nan 8.190 nan 0.000 0.452 305 A N 0.702 123.321 122.820 -0.335 0.000 1.908 305 A HA -0.141 4.167 4.320 -0.019 0.000 0.218 305 A C 2.432 179.765 177.584 -0.418 0.000 1.181 305 A CA 2.092 53.780 52.037 -0.581 0.000 0.627 305 A CB -1.264 17.163 19.000 -0.956 0.000 0.818 305 A HN 0.531 nan 8.150 nan 0.000 0.445 306 G N -0.979 107.587 108.800 -0.390 0.000 2.418 306 G HA2 -0.286 3.663 3.960 -0.019 0.000 0.217 306 G HA3 -0.286 3.663 3.960 -0.019 0.000 0.217 306 G C 1.620 176.140 174.900 -0.634 0.000 1.158 306 G CA 1.121 45.883 45.100 -0.564 0.000 0.771 306 G HN 0.657 nan 8.290 nan 0.000 0.545 307 Q N -0.958 118.681 119.800 -0.269 0.000 2.096 307 Q HA -0.140 4.189 4.340 -0.019 0.000 0.204 307 Q C 2.451 178.435 176.000 -0.026 0.000 0.982 307 Q CA 1.506 57.246 55.803 -0.105 0.000 0.850 307 Q CB -0.160 28.558 28.738 -0.034 0.000 0.901 307 Q HN 0.371 nan 8.270 nan 0.000 0.422 308 M N -0.247 119.366 119.600 0.022 0.000 2.254 308 M HA -0.046 4.422 4.480 -0.019 0.000 0.265 308 M C 1.771 178.168 176.300 0.161 0.000 1.066 308 M CA 0.854 56.240 55.300 0.143 0.000 1.123 308 M CB -0.362 32.400 32.600 0.270 0.000 1.388 308 M HN 0.312 nan 8.290 nan 0.000 0.425 309 L N -0.462 120.843 121.223 0.136 0.000 2.068 309 L HA -0.096 4.233 4.340 -0.019 0.000 0.204 309 L C 2.242 179.152 176.870 0.066 0.000 1.076 309 L CA 1.728 56.647 54.840 0.131 0.000 0.753 309 L CB -0.409 41.772 42.059 0.203 0.000 0.910 309 L HN 0.608 nan 8.230 nan 0.000 0.439 310 H N -4.330 114.810 119.070 0.118 0.000 3.535 310 H HA 0.396 4.941 4.556 -0.019 0.000 0.260 310 H C 1.301 176.753 175.328 0.206 0.000 1.173 310 H CA 0.609 56.685 56.048 0.047 0.000 1.168 310 H CB 0.643 30.351 29.762 -0.090 0.000 1.568 310 H HN 0.241 nan 8.280 nan 0.000 0.602 311 G N 0.750 109.680 108.800 0.217 0.000 2.213 311 G HA2 -0.240 3.709 3.960 -0.019 0.000 0.236 311 G HA3 -0.240 3.709 3.960 -0.019 0.000 0.236 311 G C 1.333 176.423 174.900 0.315 0.000 0.991 311 G CA 0.710 45.981 45.100 0.284 0.000 0.629 311 G HN 1.342 nan 8.290 nan 0.000 0.517 312 G N -1.129 107.959 108.800 0.481 0.000 2.225 312 G HA2 0.436 4.384 3.960 -0.019 0.000 0.254 312 G HA3 0.436 4.384 3.960 -0.019 0.000 0.254 312 G C 1.483 176.667 174.900 0.473 0.000 0.988 312 G CA 0.895 46.220 45.100 0.375 0.000 0.625 312 G HN 2.962 nan 8.290 nan 0.000 0.527 313 G N -1.807 107.234 108.800 0.402 0.000 2.340 313 G HA2 0.466 4.415 3.960 -0.019 0.000 0.527 313 G HA3 0.466 4.415 3.960 -0.019 0.000 0.527 313 G C 0.794 175.795 174.900 0.169 0.000 1.381 313 G CA 0.932 46.195 45.100 0.272 0.000 1.001 313 G HN 1.787 nan 8.290 nan 0.000 0.626 314 S N -0.614 115.106 115.700 0.033 0.000 2.442 314 S HA -0.122 4.336 4.470 -0.019 0.000 0.236 314 S C 1.801 176.373 174.600 -0.047 0.000 1.007 314 S CA 1.897 60.073 58.200 -0.040 0.000 0.965 314 S CB -0.281 62.878 63.200 -0.068 0.000 0.773 314 S HN 1.133 nan 8.310 nan 0.000 0.504 315 K N -0.617 119.679 120.400 -0.173 0.000 2.404 315 K HA 0.278 4.586 4.320 -0.019 0.000 0.194 315 K C 0.524 176.862 176.600 -0.435 0.000 1.023 315 K CA -0.014 56.075 56.287 -0.331 0.000 1.094 315 K CB -0.135 32.048 32.500 -0.529 0.000 0.841 315 K HN 0.463 nan 8.250 nan 0.000 0.523 316 F N 1.175 121.223 119.950 0.164 0.000 2.243 316 F HA 0.263 4.779 4.527 -0.019 0.000 0.205 316 F C 1.449 177.387 175.800 0.229 0.000 1.141 316 F CA -0.844 57.258 58.000 0.170 0.000 1.193 316 F CB 0.127 39.216 39.000 0.148 0.000 1.576 316 F HN -0.144 nan 8.300 nan 0.000 0.484 317 N N -0.637 118.338 118.700 0.458 0.000 2.170 317 N HA 0.109 4.837 4.740 -0.019 0.000 0.222 317 N C 0.896 176.578 175.510 0.287 0.000 1.218 317 N CA 0.228 53.491 53.050 0.355 0.000 0.889 317 N CB 0.819 39.468 38.487 0.271 0.000 1.083 317 N HN 0.078 nan 8.380 nan 0.000 0.520 318 S N 0.090 115.950 115.700 0.267 0.000 2.447 318 S HA -0.047 4.411 4.470 -0.019 0.000 0.233 318 S C 1.874 176.541 174.600 0.111 0.000 1.006 318 S CA 1.061 59.407 58.200 0.244 0.000 0.957 318 S CB -0.037 63.286 63.200 0.205 0.000 0.773 318 S HN 0.501 nan 8.310 nan 0.000 0.507 319 G N 0.745 109.489 108.800 -0.092 0.000 2.880 319 G HA2 -0.023 3.925 3.960 -0.019 0.000 0.209 319 G HA3 -0.023 3.925 3.960 -0.019 0.000 0.209 319 G C 0.713 175.558 174.900 -0.092 0.000 1.157 319 G CA -0.186 44.688 45.100 -0.376 0.000 0.779 319 G HN 0.393 nan 8.290 nan 0.000 0.539 320 N N 0.777 119.569 118.700 0.152 0.000 2.597 320 N HA 0.176 4.904 4.740 -0.019 0.000 0.269 320 N C 0.015 175.529 175.510 0.007 0.000 1.204 320 N CA -0.136 53.002 53.050 0.146 0.000 0.947 320 N CB -0.042 38.564 38.487 0.199 0.000 1.258 320 N HN 0.106 nan 8.380 nan 0.000 0.508 321 R N -0.562 119.937 120.500 -0.001 0.000 2.764 321 R HA 0.317 4.645 4.340 -0.019 0.000 0.270 321 R C -1.484 174.911 176.300 0.158 0.000 1.014 321 R CA -0.654 55.372 56.100 -0.124 0.000 0.904 321 R CB 1.249 31.090 30.300 -0.765 0.000 1.236 321 R HN 0.215 nan 8.270 nan 0.000 0.466 322 W N 2.923 124.150 121.300 -0.122 0.000 2.481 322 W HA 0.264 4.912 4.660 -0.020 0.000 0.285 322 W C -0.811 175.664 176.519 -0.074 0.000 1.017 322 W CA -0.692 56.663 57.345 0.017 0.000 1.499 322 W CB 0.366 29.919 29.460 0.155 0.000 1.381 322 W HN 0.647 nan 8.180 nan 0.000 0.390 323 F N 1.408 121.298 119.950 -0.100 0.000 2.583 323 F HA -0.151 4.364 4.527 -0.020 0.000 0.297 323 F C 1.822 177.617 175.800 -0.008 0.000 1.131 323 F CA 1.024 58.990 58.000 -0.057 0.000 1.467 323 F CB -0.050 38.867 39.000 -0.139 0.000 1.097 323 F HN 0.028 nan 8.300 nan 0.000 0.586 324 D N -0.029 120.449 120.400 0.129 0.000 2.289 324 D HA -0.058 4.570 4.640 -0.019 0.000 0.207 324 D C 1.041 177.548 176.300 0.345 0.000 0.966 324 D CA 0.599 54.749 54.000 0.251 0.000 0.868 324 D CB -0.085 40.920 40.800 0.342 0.000 0.943 324 D HN 0.019 nan 8.370 nan 0.000 0.514 325 K N 1.001 121.671 120.400 0.449 0.000 2.447 325 K HA 0.025 4.334 4.320 -0.019 0.000 0.281 325 K C 1.074 177.819 176.600 0.242 0.000 1.031 325 K CA 0.259 56.762 56.287 0.360 0.000 1.019 325 K CB 0.608 33.329 32.500 0.369 0.000 0.918 325 K HN -0.228 nan 8.250 nan 0.000 0.476 326 T N 3.553 118.234 114.554 0.210 0.000 2.652 326 T HA -0.090 4.249 4.350 -0.019 0.000 0.267 326 T C 0.365 175.151 174.700 0.144 0.000 1.039 326 T CA 1.171 63.373 62.100 0.170 0.000 1.153 326 T CB -0.077 68.879 68.868 0.147 0.000 0.863 326 T HN 0.405 nan 8.240 nan 0.000 0.428 327 L N 1.471 122.776 121.223 0.137 0.000 2.349 327 L HA 0.469 4.798 4.340 -0.019 0.000 0.278 327 L C -0.546 176.362 176.870 0.064 0.000 0.996 327 L CA -0.515 54.338 54.840 0.022 0.000 0.825 327 L CB 1.863 43.938 42.059 0.026 0.000 1.243 327 L HN 0.086 nan 8.230 nan 0.000 0.412 328 Q N 3.508 123.256 119.800 -0.086 0.000 2.309 328 Q HA 0.483 4.811 4.340 -0.019 0.000 0.270 328 Q C -1.461 174.464 176.000 -0.126 0.000 1.023 328 Q CA -0.510 55.309 55.803 0.027 0.000 0.758 328 Q CB 2.513 31.277 28.738 0.042 0.000 1.247 328 Q HN 0.379 nan 8.270 nan 0.000 0.455 329 F N 2.618 122.649 119.950 0.135 0.000 2.404 329 F HA 0.488 5.003 4.527 -0.020 0.000 0.339 329 F C 0.203 176.088 175.800 0.141 0.000 1.105 329 F CA -0.565 57.496 58.000 0.103 0.000 1.087 329 F CB 0.928 39.958 39.000 0.050 0.000 1.143 329 F HN 0.320 nan 8.300 nan 0.000 0.491 330 I N 3.680 124.426 120.570 0.294 0.000 2.406 330 I HA 0.425 4.583 4.170 -0.019 0.000 0.290 330 I C -1.088 175.214 176.117 0.308 0.000 0.999 330 I CA -0.820 60.633 61.300 0.255 0.000 1.124 330 I CB 1.792 39.904 38.000 0.188 0.000 1.289 330 I HN 0.172 nan 8.210 nan 0.000 0.441 331 V N 6.010 126.113 119.914 0.315 0.000 2.349 331 V HA 0.560 4.669 4.120 -0.019 0.000 0.284 331 V C 0.489 176.793 176.094 0.349 0.000 1.014 331 V CA -0.601 61.930 62.300 0.385 0.000 0.826 331 V CB 1.235 33.296 31.823 0.396 0.000 1.009 331 V HN 0.843 nan 8.190 nan 0.000 0.431 332 A N 3.185 126.211 122.820 0.343 0.000 2.313 332 A HA 0.435 4.744 4.320 -0.019 0.000 0.261 332 A C 1.319 179.137 177.584 0.390 0.000 1.090 332 A CA -0.068 52.152 52.037 0.304 0.000 0.807 332 A CB 0.452 19.583 19.000 0.218 0.000 1.055 332 A HN 0.819 nan 8.150 nan 0.000 0.492 333 E N 0.344 120.741 120.200 0.328 0.000 2.150 333 E HA -0.188 4.150 4.350 -0.019 0.000 0.193 333 E C 0.518 177.318 176.600 0.333 0.000 0.985 333 E CA 1.619 58.226 56.400 0.346 0.000 0.814 333 E CB -0.098 29.773 29.700 0.284 0.000 0.752 333 E HN 0.770 nan 8.360 nan 0.000 0.466 334 D N -1.314 119.214 120.400 0.214 0.000 2.328 334 D HA 0.091 4.719 4.640 -0.019 0.000 0.226 334 D C 1.238 177.473 176.300 -0.108 0.000 1.066 334 D CA 0.793 54.844 54.000 0.086 0.000 0.861 334 D CB 0.183 41.043 40.800 0.099 0.000 0.912 334 D HN 0.309 nan 8.370 nan 0.000 0.521 335 G N -0.460 108.190 108.800 -0.251 0.000 2.232 335 G HA2 -0.247 3.701 3.960 -0.019 0.000 0.226 335 G HA3 -0.247 3.701 3.960 -0.019 0.000 0.226 335 G C 0.409 175.084 174.900 -0.376 0.000 0.996 335 G CA 0.086 44.645 45.100 -0.901 0.000 0.626 335 G HN 0.400 nan 8.290 nan 0.000 0.509 336 S N 0.459 116.121 115.700 -0.064 0.000 2.585 336 S HA 0.567 5.025 4.470 -0.019 0.000 0.273 336 S C 0.577 175.236 174.600 0.099 0.000 1.339 336 S CA 0.473 58.684 58.200 0.017 0.000 1.028 336 S CB 1.254 64.487 63.200 0.055 0.000 0.906 336 S HN 1.703 nan 8.310 nan 0.000 0.528 337 C N 0.054 119.418 119.300 0.106 0.000 3.239 337 C HA 1.033 5.481 4.460 -0.019 0.000 0.317 337 C C 0.188 175.293 174.990 0.193 0.000 1.310 337 C CA -0.056 59.088 59.018 0.210 0.000 1.371 337 C CB 0.882 28.806 27.740 0.306 0.000 1.714 337 C HN 1.042 nan 8.230 nan 0.000 0.473 338 G N 1.042 109.976 108.800 0.224 0.000 2.450 338 G HA2 0.833 4.781 3.960 -0.019 0.000 0.273 338 G HA3 0.833 4.781 3.960 -0.019 0.000 0.273 338 G C -1.322 173.658 174.900 0.134 0.000 1.221 338 G CA -0.136 45.067 45.100 0.172 0.000 0.900 338 G HN 1.967 nan 8.290 nan 0.000 0.483 339 M N -1.734 117.889 119.600 0.038 0.000 2.949 339 M HA 0.818 5.287 4.480 -0.019 0.000 0.270 339 M C -2.079 174.187 176.300 -0.057 0.000 1.221 339 M CA -1.021 54.236 55.300 -0.072 0.000 0.818 339 M CB 1.909 34.319 32.600 -0.317 0.000 1.635 339 M HN 1.428 nan 8.290 nan 0.000 0.492 340 V N 2.088 121.969 119.914 -0.055 0.000 2.777 340 V HA 0.785 4.893 4.120 -0.019 0.000 0.306 340 V C -2.185 173.928 176.094 0.031 0.000 1.112 340 V CA -0.220 62.075 62.300 -0.007 0.000 0.917 340 V CB 2.346 34.229 31.823 0.099 0.000 1.018 340 V HN 0.992 nan 8.190 nan 0.000 0.426 341 Y N 3.151 123.387 120.300 -0.106 0.000 2.499 341 Y HA 0.770 5.308 4.550 -0.020 0.000 0.347 341 Y C -0.356 175.516 175.900 -0.047 0.000 0.987 341 Y CA -1.057 56.982 58.100 -0.102 0.000 1.044 341 Y CB 1.614 39.964 38.460 -0.182 0.000 1.245 341 Y HN 0.602 nan 8.280 nan 0.000 0.461 342 E N 2.707 122.972 120.200 0.107 0.000 2.217 342 E HA 0.001 4.339 4.350 -0.019 0.000 0.279 342 E C 0.339 176.967 176.600 0.046 0.000 1.068 342 E CA 0.286 56.714 56.400 0.046 0.000 0.882 342 E CB 0.222 29.989 29.700 0.111 0.000 1.039 342 E HN 0.928 nan 8.360 nan 0.000 0.418 343 H N 4.003 122.927 119.070 -0.243 0.000 2.489 343 H HA -0.045 4.500 4.556 -0.019 0.000 0.293 343 H C 1.418 176.364 175.328 -0.636 0.000 1.066 343 H CA 1.329 57.166 56.048 -0.350 0.000 1.305 343 H CB 0.304 29.823 29.762 -0.405 0.000 1.386 343 H HN 0.583 nan 8.280 nan 0.000 0.551 344 A N 0.442 122.984 122.820 -0.464 0.000 1.978 344 A HA -0.116 4.192 4.320 -0.019 0.000 0.220 344 A C 2.709 180.194 177.584 -0.164 0.000 1.170 344 A CA 1.609 53.348 52.037 -0.497 0.000 0.636 344 A CB -0.803 18.096 19.000 -0.167 0.000 0.810 344 A HN 0.482 nan 8.150 nan 0.000 0.448 345 A N -1.251 121.548 122.820 -0.036 0.000 1.898 345 A HA 0.473 4.782 4.320 -0.019 0.000 0.216 345 A C 1.249 178.847 177.584 0.022 0.000 1.181 345 A CA 1.929 53.978 52.037 0.020 0.000 0.620 345 A CB -0.461 18.565 19.000 0.043 0.000 0.819 345 A HN 1.704 nan 8.150 nan 0.000 0.442 346 A N -2.018 120.835 122.820 0.055 0.000 2.467 346 A HA 0.609 4.917 4.320 -0.019 0.000 0.301 346 A C -1.191 176.457 177.584 0.107 0.000 1.126 346 A CA -0.579 51.472 52.037 0.023 0.000 0.632 346 A CB 0.157 19.072 19.000 -0.142 0.000 1.331 346 A HN 0.084 nan 8.150 nan 0.000 0.482 347 E N -0.768 119.454 120.200 0.038 0.000 2.504 347 E HA 0.557 4.895 4.350 -0.019 0.000 0.253 347 E C 1.467 177.997 176.600 -0.118 0.000 1.151 347 E CA 0.477 56.928 56.400 0.085 0.000 0.972 347 E CB 0.535 30.303 29.700 0.114 0.000 1.247 347 E HN 0.769 nan 8.360 nan 0.000 0.519 348 G N 0.420 109.195 108.800 -0.041 0.000 2.404 348 G HA2 -0.145 3.804 3.960 -0.019 0.000 0.215 348 G HA3 -0.145 3.804 3.960 -0.019 0.000 0.215 348 G C -1.088 173.725 174.900 -0.146 0.000 1.174 348 G CA 0.602 45.636 45.100 -0.110 0.000 0.780 348 G HN 0.407 nan 8.290 nan 0.000 0.537 349 P HA -0.131 nan 4.420 nan 0.000 0.217 349 P C -1.295 175.958 177.300 -0.079 0.000 1.162 349 P CA 2.141 65.207 63.100 -0.056 0.000 0.901 349 P CB -0.752 30.936 31.700 -0.020 0.000 0.793 350 P HA -0.143 nan 4.420 nan 0.000 0.216 350 P C 1.460 178.643 177.300 -0.195 0.000 1.150 350 P CA 1.241 64.141 63.100 -0.334 0.000 0.837 350 P CB -0.543 30.731 31.700 -0.711 0.000 0.786 351 I N -0.595 119.785 120.570 -0.317 0.000 2.179 351 I HA -0.153 4.005 4.170 -0.019 0.000 0.242 351 I C 2.301 178.279 176.117 -0.231 0.000 1.088 351 I CA 1.743 62.822 61.300 -0.369 0.000 1.357 351 I CB -1.785 35.830 38.000 -0.642 0.000 1.051 351 I HN -0.053 nan 8.210 nan 0.000 0.409 352 V N -0.290 119.529 119.914 -0.157 0.000 2.809 352 V HA -0.008 4.101 4.120 -0.019 0.000 0.256 352 V C 2.642 178.702 176.094 -0.057 0.000 1.080 352 V CA 1.229 63.477 62.300 -0.087 0.000 1.102 352 V CB -1.473 30.320 31.823 -0.048 0.000 0.705 352 V HN 0.268 nan 8.190 nan 0.000 0.475 353 A N 0.826 123.635 122.820 -0.018 0.000 1.902 353 A HA -0.079 4.229 4.320 -0.019 0.000 0.217 353 A C 2.247 179.723 177.584 -0.181 0.000 1.181 353 A CA 2.046 54.111 52.037 0.046 0.000 0.623 353 A CB -0.565 18.596 19.000 0.268 0.000 0.818 353 A HN 0.607 nan 8.150 nan 0.000 0.443 354 L N -0.358 120.593 121.223 -0.453 0.000 2.056 354 L HA -0.111 4.217 4.340 -0.019 0.000 0.207 354 L C 2.367 178.988 176.870 -0.415 0.000 1.078 354 L CA 1.349 55.591 54.840 -0.996 0.000 0.749 354 L CB -0.215 41.356 42.059 -0.813 0.000 0.901 354 L HN 0.191 nan 8.230 nan 0.000 0.433 355 V N 0.334 120.136 119.914 -0.188 0.000 2.255 355 V HA -0.334 3.775 4.120 -0.019 0.000 0.247 355 V C 2.219 178.307 176.094 -0.010 0.000 1.051 355 V CA 2.213 64.487 62.300 -0.043 0.000 1.018 355 V CB -0.713 31.102 31.823 -0.013 0.000 0.641 355 V HN 0.517 nan 8.190 nan 0.000 0.445 356 D N -1.264 119.132 120.400 -0.007 0.000 2.123 356 D HA -0.195 4.434 4.640 -0.019 0.000 0.196 356 D C 2.103 178.434 176.300 0.053 0.000 0.992 356 D CA 1.514 55.534 54.000 0.033 0.000 0.833 356 D CB -0.409 40.418 40.800 0.045 0.000 0.954 356 D HN 0.534 nan 8.370 nan 0.000 0.455 357 H N 0.654 119.706 119.070 -0.030 0.000 2.357 357 H HA -0.045 4.499 4.556 -0.019 0.000 0.301 357 H C 2.079 177.436 175.328 0.048 0.000 1.082 357 H CA 1.022 57.097 56.048 0.045 0.000 1.342 357 H CB -0.073 29.761 29.762 0.120 0.000 1.389 357 H HN -0.046 nan 8.280 nan 0.000 0.511 358 V N 1.341 121.320 119.914 0.108 0.000 2.261 358 V HA -0.274 3.835 4.120 -0.019 0.000 0.246 358 V C 2.865 179.002 176.094 0.073 0.000 1.047 358 V CA 1.680 64.007 62.300 0.046 0.000 1.015 358 V CB -0.504 31.259 31.823 -0.100 0.000 0.642 358 V HN 0.339 nan 8.190 nan 0.000 0.446 359 M N -0.353 119.294 119.600 0.078 0.000 2.108 359 M HA -0.189 4.280 4.480 -0.019 0.000 0.261 359 M C 2.172 178.530 176.300 0.096 0.000 1.066 359 M CA 1.633 57.005 55.300 0.120 0.000 1.107 359 M CB -1.347 31.322 32.600 0.114 0.000 1.356 359 M HN 0.499 nan 8.290 nan 0.000 0.406 360 E N -0.871 119.356 120.200 0.046 0.000 2.153 360 E HA -0.241 4.097 4.350 -0.019 0.000 0.194 360 E C 2.012 178.609 176.600 -0.005 0.000 0.988 360 E CA 1.042 57.444 56.400 0.003 0.000 0.811 360 E CB -0.110 29.563 29.700 -0.046 0.000 0.746 360 E HN 0.503 nan 8.360 nan 0.000 0.466 361 Y N 1.113 121.350 120.300 -0.106 0.000 2.200 361 Y HA -0.172 4.366 4.550 -0.020 0.000 0.290 361 Y C 2.542 178.421 175.900 -0.035 0.000 1.137 361 Y CA 2.088 60.135 58.100 -0.089 0.000 1.163 361 Y CB -0.398 38.013 38.460 -0.082 0.000 0.988 361 Y HN 0.151 nan 8.280 nan 0.000 0.518 362 T N -2.395 112.273 114.554 0.189 0.000 3.025 362 T HA -0.128 4.210 4.350 -0.019 0.000 0.270 362 T C 1.347 176.101 174.700 0.090 0.000 1.126 362 T CA 1.334 63.529 62.100 0.159 0.000 1.105 362 T CB -0.307 68.707 68.868 0.243 0.000 0.884 362 T HN 0.326 nan 8.240 nan 0.000 0.522 363 K N 0.374 120.792 120.400 0.029 0.000 2.374 363 K HA 0.219 4.527 4.320 -0.019 0.000 0.196 363 K C 0.287 176.847 176.600 -0.067 0.000 1.023 363 K CA -0.086 56.200 56.287 -0.000 0.000 1.103 363 K CB 0.429 32.934 32.500 0.009 0.000 0.848 363 K HN 0.318 nan 8.250 nan 0.000 0.528 364 K N 2.295 122.603 120.400 -0.153 0.000 2.276 364 K HA 0.174 4.482 4.320 -0.019 0.000 0.283 364 K C -2.483 174.022 176.600 -0.158 0.000 1.044 364 K CA -1.801 54.362 56.287 -0.206 0.000 0.944 364 K CB 0.521 32.782 32.500 -0.398 0.000 1.012 364 K HN -0.161 nan 8.250 nan 0.000 0.472 365 P HA -0.144 nan 4.420 nan 0.000 0.267 365 P C -0.651 176.599 177.300 -0.084 0.000 1.195 365 P CA 0.082 63.135 63.100 -0.079 0.000 0.773 365 P CB 0.382 32.043 31.700 -0.064 0.000 0.837 366 E N 3.370 123.533 120.200 -0.061 0.000 2.415 366 E HA 0.005 4.343 4.350 -0.019 0.000 0.263 366 E C -0.298 176.274 176.600 -0.046 0.000 0.995 366 E CA 0.382 56.751 56.400 -0.052 0.000 0.915 366 E CB 0.372 30.045 29.700 -0.046 0.000 0.951 366 E HN 0.304 nan 8.360 nan 0.000 0.449 367 L N 2.353 123.553 121.223 -0.038 0.000 2.617 367 L HA 0.169 4.497 4.340 -0.019 0.000 0.193 367 L C 0.558 177.420 176.870 -0.014 0.000 1.655 367 L CA -0.712 54.113 54.840 -0.026 0.000 3.079 367 L CB -0.507 41.540 42.059 -0.020 0.000 2.896 367 L HN 0.497 nan 8.230 nan 0.000 0.876 368 V N 0.273 120.187 119.914 -0.001 0.000 2.583 368 V HA -0.032 4.076 4.120 -0.019 0.000 0.302 368 V C 0.549 176.642 176.094 -0.001 0.000 1.033 368 V CA 0.071 62.372 62.300 0.003 0.000 1.194 368 V CB -0.296 31.535 31.823 0.014 0.000 0.879 368 V HN 0.558 nan 8.190 nan 0.000 0.482 369 R N 2.693 123.190 120.500 -0.005 0.000 2.546 369 R HA 0.224 4.553 4.340 -0.019 0.000 0.320 369 R C 0.829 177.127 176.300 -0.004 0.000 1.021 369 R CA 0.480 56.575 56.100 -0.009 0.000 1.088 369 R CB 0.135 30.425 30.300 -0.016 0.000 1.278 369 R HN 0.947 nan 8.270 nan 0.000 0.557 370 S N 1.138 116.838 115.700 0.000 0.000 2.585 370 S HA 0.412 4.870 4.470 -0.019 0.000 0.273 370 S C -2.188 172.415 174.600 0.005 0.000 1.339 370 S CA -1.086 57.115 58.200 0.001 0.000 1.028 370 S CB 0.733 63.933 63.200 0.000 0.000 0.906 370 S HN -0.076 nan 8.310 nan 0.000 0.528 371 P HA 0.049 nan 4.420 nan 0.000 0.264 371 P C 0.521 177.828 177.300 0.012 0.000 1.183 371 P CA -0.092 63.013 63.100 0.009 0.000 0.763 371 P CB 0.254 31.957 31.700 0.005 0.000 0.807 372 M N 2.930 122.543 119.600 0.023 0.000 1.675 372 M HA 0.344 4.812 4.480 -0.019 0.000 0.143 372 M C -0.020 176.289 176.300 0.016 0.000 1.189 372 M CA 0.017 55.336 55.300 0.031 0.000 0.675 372 M CB -0.315 32.316 32.600 0.051 0.000 0.986 372 M HN 0.114 nan 8.290 nan 0.000 0.353 373 V N -4.374 115.555 119.914 0.025 0.000 3.141 373 V HA 0.689 4.797 4.120 -0.019 0.000 0.312 373 V C -2.852 173.261 176.094 0.032 0.000 1.157 373 V CA -2.155 60.149 62.300 0.008 0.000 1.041 373 V CB 0.712 32.510 31.823 -0.041 0.000 1.071 373 V HN 0.755 nan 8.190 nan 0.000 0.441 374 P HA 0.412 nan 4.420 nan 0.000 0.264 374 P C -0.984 176.346 177.300 0.050 0.000 1.193 374 P CA 0.370 63.488 63.100 0.029 0.000 0.763 374 P CB 0.223 31.934 31.700 0.019 0.000 0.810 375 L N 5.283 126.531 121.223 0.042 0.000 2.354 375 L HA 0.570 4.898 4.340 -0.019 0.000 0.269 375 L C -1.826 175.058 176.870 0.023 0.000 1.005 375 L CA -2.107 52.760 54.840 0.045 0.000 0.819 375 L CB 2.025 44.106 42.059 0.036 0.000 1.311 375 L HN 0.302 nan 8.230 nan 0.000 0.423 376 P HA 0.209 nan 4.420 nan 0.000 0.277 376 P C -0.956 176.347 177.300 0.005 0.000 1.271 376 P CA -0.699 62.408 63.100 0.011 0.000 0.795 376 P CB 0.799 32.506 31.700 0.011 0.000 1.101 377 M N 1.190 120.795 119.600 0.009 0.000 2.120 377 M HA 0.380 4.849 4.480 -0.019 0.000 0.354 377 M C -2.472 173.849 176.300 0.034 0.000 1.287 377 M CA -2.560 52.751 55.300 0.017 0.000 1.103 377 M CB -0.120 32.495 32.600 0.025 0.000 1.623 377 M HN 0.052 nan 8.290 nan 0.000 0.471 378 P HA 0.058 nan 4.420 nan 0.000 0.265 378 P C -1.260 176.143 177.300 0.172 0.000 1.193 378 P CA 0.239 63.394 63.100 0.092 0.000 0.765 378 P CB 0.209 31.957 31.700 0.079 0.000 0.823 379 K N 2.847 123.306 120.400 0.097 0.000 2.339 379 K HA 0.146 4.455 4.320 -0.019 0.000 0.286 379 K C 0.353 176.930 176.600 -0.038 0.000 1.050 379 K CA -0.460 55.841 56.287 0.024 0.000 0.956 379 K CB 0.623 33.087 32.500 -0.060 0.000 0.990 379 K HN 0.313 nan 8.250 nan 0.000 0.475 380 K N 3.710 123.997 120.400 -0.189 0.000 2.298 380 K HA 0.115 4.424 4.320 -0.019 0.000 0.280 380 K C -0.652 175.700 176.600 -0.413 0.000 1.032 380 K CA -0.274 55.635 56.287 -0.630 0.000 0.958 380 K CB 0.444 32.544 32.500 -0.666 0.000 0.978 380 K HN 0.474 nan 8.250 nan 0.000 0.472 381 L N 6.482 127.448 121.223 -0.429 0.000 2.353 381 L HA 0.355 4.684 4.340 -0.019 0.000 0.269 381 L C 0.160 176.741 176.870 -0.482 0.000 1.085 381 L CA -0.634 53.968 54.840 -0.396 0.000 0.938 381 L CB 0.526 42.383 42.059 -0.337 0.000 1.312 381 L HN 0.587 nan 8.230 nan 0.000 0.429 382 R N 1.792 122.036 120.500 -0.426 0.000 2.637 382 R HA 0.591 4.919 4.340 -0.019 0.000 0.269 382 R C -1.071 174.928 176.300 -0.502 0.000 1.089 382 R CA -0.303 55.603 56.100 -0.322 0.000 1.177 382 R CB 0.836 31.030 30.300 -0.177 0.000 1.091 382 R HN 0.150 nan 8.270 nan 0.000 0.540 383 F N -0.118 119.829 119.950 -0.006 0.000 2.556 383 F HA 0.279 4.794 4.527 -0.020 0.000 0.314 383 F C -0.004 175.804 175.800 0.012 0.000 1.106 383 F CA -1.022 56.985 58.000 0.011 0.000 0.911 383 F CB 1.769 40.800 39.000 0.052 0.000 1.190 383 F HN 0.281 nan 8.300 nan 0.000 0.448 384 N N 3.986 122.808 118.700 0.205 0.000 2.437 384 N HA 0.262 4.991 4.740 -0.019 0.000 0.243 384 N C -0.767 174.816 175.510 0.121 0.000 1.041 384 N CA -0.199 52.921 53.050 0.116 0.000 0.940 384 N CB 0.934 39.462 38.487 0.068 0.000 1.133 384 N HN 0.298 nan 8.380 nan 0.000 0.506 385 I N 2.183 122.814 120.570 0.101 0.000 2.352 385 I HA 0.138 4.297 4.170 -0.019 0.000 0.290 385 I C 1.359 177.505 176.117 0.049 0.000 1.036 385 I CA -0.333 61.012 61.300 0.074 0.000 1.336 385 I CB 0.227 38.267 38.000 0.067 0.000 1.407 385 I HN 0.346 nan 8.210 nan 0.000 0.497 386 T N 3.806 118.384 114.554 0.040 0.000 2.937 386 T HA 0.489 4.827 4.350 -0.019 0.000 0.283 386 T C -2.017 172.697 174.700 0.022 0.000 1.012 386 T CA -1.840 60.278 62.100 0.029 0.000 0.997 386 T CB 1.816 70.699 68.868 0.026 0.000 1.136 386 T HN 0.223 nan 8.240 nan 0.000 0.551 387 P HA -0.022 nan 4.420 nan 0.000 0.218 387 P C 1.390 178.697 177.300 0.013 0.000 1.149 387 P CA 0.864 63.972 63.100 0.013 0.000 0.817 387 P CB 0.156 31.863 31.700 0.011 0.000 0.785 388 E N -0.367 119.842 120.200 0.015 0.000 2.072 388 E HA -0.140 4.198 4.350 -0.019 0.000 0.191 388 E C 1.886 178.497 176.600 0.020 0.000 0.985 388 E CA 0.912 57.321 56.400 0.016 0.000 0.801 388 E CB -0.433 29.276 29.700 0.016 0.000 0.750 388 E HN 0.138 nan 8.360 nan 0.000 0.452 389 I N 0.795 121.379 120.570 0.023 0.000 2.252 389 I HA -0.233 3.926 4.170 -0.019 0.000 0.245 389 I C 2.486 178.610 176.117 0.012 0.000 1.102 389 I CA 0.930 62.245 61.300 0.024 0.000 1.385 389 I CB -0.233 37.784 38.000 0.028 0.000 1.064 389 I HN 0.048 nan 8.210 nan 0.000 0.414 390 K N 1.848 122.254 120.400 0.011 0.000 2.063 390 K HA -0.258 4.051 4.320 -0.019 0.000 0.208 390 K C 1.751 178.350 176.600 -0.002 0.000 1.048 390 K CA 2.060 58.349 56.287 0.004 0.000 0.928 390 K CB -0.526 31.979 32.500 0.009 0.000 0.713 390 K HN 0.212 nan 8.250 nan 0.000 0.442 391 N N 0.440 119.141 118.700 0.002 0.000 2.166 391 N HA -0.140 4.588 4.740 -0.019 0.000 0.186 391 N C 1.137 176.645 175.510 -0.003 0.000 1.019 391 N CA 1.808 54.858 53.050 -0.001 0.000 0.856 391 N CB -0.218 38.271 38.487 0.003 0.000 0.993 391 N HN 0.246 nan 8.380 nan 0.000 0.426 392 D N 0.103 120.507 120.400 0.007 0.000 2.117 392 D HA -0.095 4.533 4.640 -0.019 0.000 0.197 392 D C 1.973 178.262 176.300 -0.018 0.000 0.987 392 D CA 0.774 54.782 54.000 0.012 0.000 0.829 392 D CB -0.173 40.656 40.800 0.047 0.000 0.961 392 D HN 0.422 nan 8.370 nan 0.000 0.460 393 I N 1.206 121.757 120.570 -0.031 0.000 2.226 393 I HA -0.214 3.944 4.170 -0.019 0.000 0.245 393 I C 2.317 178.397 176.117 -0.062 0.000 1.100 393 I CA 0.980 62.241 61.300 -0.064 0.000 1.374 393 I CB -0.093 37.871 38.000 -0.061 0.000 1.057 393 I HN -0.093 nan 8.210 nan 0.000 0.413 394 E N 0.903 121.079 120.200 -0.041 0.000 2.110 394 E HA -0.178 4.161 4.350 -0.019 0.000 0.193 394 E C 2.124 178.701 176.600 -0.039 0.000 0.988 394 E CA 0.955 57.332 56.400 -0.038 0.000 0.804 394 E CB -0.172 29.513 29.700 -0.025 0.000 0.745 394 E HN 0.364 nan 8.360 nan 0.000 0.458 395 K N 0.561 120.941 120.400 -0.033 0.000 2.097 395 K HA -0.006 4.302 4.320 -0.019 0.000 0.205 395 K C 2.036 178.609 176.600 -0.044 0.000 1.050 395 K CA 0.995 57.263 56.287 -0.031 0.000 0.938 395 K CB -0.377 32.112 32.500 -0.018 0.000 0.718 395 K HN 0.076 nan 8.250 nan 0.000 0.442 396 A N 1.772 124.555 122.820 -0.061 0.000 1.930 396 A HA -0.166 4.142 4.320 -0.019 0.000 0.217 396 A C 2.084 179.613 177.584 -0.091 0.000 1.175 396 A CA 1.476 53.458 52.037 -0.092 0.000 0.627 396 A CB -0.269 18.646 19.000 -0.143 0.000 0.815 396 A HN 0.265 nan 8.150 nan 0.000 0.443 397 K N -0.538 119.814 120.400 -0.081 0.000 2.057 397 K HA -0.190 4.118 4.320 -0.019 0.000 0.207 397 K C 2.342 178.907 176.600 -0.058 0.000 1.049 397 K CA 1.756 58.000 56.287 -0.073 0.000 0.931 397 K CB -0.212 32.248 32.500 -0.066 0.000 0.714 397 K HN 0.602 nan 8.250 nan 0.000 0.440 398 Q N 0.536 120.307 119.800 -0.049 0.000 2.050 398 Q HA -0.194 4.134 4.340 -0.019 0.000 0.202 398 Q C 2.018 177.993 176.000 -0.043 0.000 0.980 398 Q CA 1.784 57.563 55.803 -0.040 0.000 0.840 398 Q CB -0.203 28.515 28.738 -0.033 0.000 0.898 398 Q HN 0.285 nan 8.270 nan 0.000 0.424 399 N N 0.305 118.978 118.700 -0.046 0.000 2.069 399 N HA -0.203 4.525 4.740 -0.019 0.000 0.191 399 N C 1.573 177.050 175.510 -0.055 0.000 1.031 399 N CA 0.938 53.962 53.050 -0.042 0.000 0.852 399 N CB -0.175 38.290 38.487 -0.038 0.000 1.018 399 N HN 0.149 nan 8.380 nan 0.000 0.423 400 L N 0.125 121.299 121.223 -0.080 0.000 2.083 400 L HA 0.006 4.334 4.340 -0.019 0.000 0.209 400 L C 2.327 179.134 176.870 -0.104 0.000 1.083 400 L CA 1.574 56.347 54.840 -0.110 0.000 0.752 400 L CB -1.299 40.689 42.059 -0.119 0.000 0.899 400 L HN 0.234 nan 8.230 nan 0.000 0.433 401 S N -0.655 115.002 115.700 -0.071 0.000 2.370 401 S HA -0.177 4.282 4.470 -0.019 0.000 0.226 401 S C 2.045 176.612 174.600 -0.055 0.000 1.033 401 S CA 1.697 59.864 58.200 -0.055 0.000 1.011 401 S CB -0.395 62.785 63.200 -0.033 0.000 0.852 401 S HN 0.508 nan 8.310 nan 0.000 0.457 402 I N 0.856 121.399 120.570 -0.044 0.000 2.226 402 I HA -0.219 3.939 4.170 -0.019 0.000 0.245 402 I C 2.529 178.629 176.117 -0.028 0.000 1.100 402 I CA 1.363 62.645 61.300 -0.030 0.000 1.374 402 I CB -0.320 37.666 38.000 -0.024 0.000 1.057 402 I HN 0.370 nan 8.210 nan 0.000 0.413 403 M N 0.162 119.737 119.600 -0.042 0.000 2.086 403 M HA -0.222 4.246 4.480 -0.019 0.000 0.261 403 M C 2.341 178.582 176.300 -0.098 0.000 1.067 403 M CA 2.053 57.332 55.300 -0.035 0.000 1.116 403 M CB -0.384 32.157 32.600 -0.098 0.000 1.348 403 M HN 0.154 nan 8.290 nan 0.000 0.407 404 I N -0.227 120.219 120.570 -0.208 0.000 2.226 404 I HA -0.302 3.857 4.170 -0.019 0.000 0.245 404 I C 2.426 178.459 176.117 -0.140 0.000 1.100 404 I CA 1.409 62.515 61.300 -0.324 0.000 1.374 404 I CB -0.472 37.267 38.000 -0.435 0.000 1.057 404 I HN 0.387 nan 8.210 nan 0.000 0.413 405 Q N 0.024 119.780 119.800 -0.073 0.000 2.170 405 Q HA -0.259 4.069 4.340 -0.019 0.000 0.203 405 Q C 1.436 177.440 176.000 0.008 0.000 0.976 405 Q CA 1.617 57.405 55.803 -0.024 0.000 0.858 405 Q CB -0.155 28.576 28.738 -0.010 0.000 0.907 405 Q HN 0.394 nan 8.270 nan 0.000 0.433 406 D N -0.390 120.028 120.400 0.030 0.000 2.355 406 D HA -0.015 4.613 4.640 -0.019 0.000 0.218 406 D C -0.465 175.941 176.300 0.177 0.000 1.004 406 D CA -0.017 54.041 54.000 0.095 0.000 0.880 406 D CB 0.293 41.149 40.800 0.093 0.000 0.911 406 D HN -0.031 nan 8.370 nan 0.000 0.528 407 L N 0.869 122.157 121.223 0.109 0.000 2.305 407 L HA 0.355 4.683 4.340 -0.019 0.000 0.281 407 L C -0.933 175.952 176.870 0.024 0.000 1.085 407 L CA -0.225 54.673 54.840 0.096 0.000 0.813 407 L CB 1.500 43.596 42.059 0.061 0.000 1.157 407 L HN -0.189 nan 8.230 nan 0.000 0.436 408 D N 5.440 125.832 120.400 -0.012 0.000 2.462 408 D HA 0.405 5.033 4.640 -0.019 0.000 0.245 408 D C -1.029 175.242 176.300 -0.049 0.000 1.122 408 D CA -0.101 53.884 54.000 -0.026 0.000 0.864 408 D CB 0.539 41.332 40.800 -0.012 0.000 1.098 408 D HN 0.450 nan 8.370 nan 0.000 0.541 409 I N 2.976 123.509 120.570 -0.061 0.000 2.474 409 I HA 0.444 4.602 4.170 -0.019 0.000 0.294 409 I C -0.513 175.556 176.117 -0.079 0.000 1.005 409 I CA -1.086 60.161 61.300 -0.089 0.000 1.113 409 I CB 1.855 39.759 38.000 -0.159 0.000 1.289 409 I HN 0.330 nan 8.210 nan 0.000 0.436 410 M N 7.918 127.479 119.600 -0.065 0.000 2.165 410 M HA 0.488 4.956 4.480 -0.019 0.000 0.283 410 M C -1.512 174.770 176.300 -0.031 0.000 0.978 410 M CA -0.470 54.803 55.300 -0.045 0.000 0.948 410 M CB 1.483 34.056 32.600 -0.044 0.000 1.599 410 M HN 0.314 nan 8.290 nan 0.000 0.450 411 M N 5.365 124.949 119.600 -0.028 0.000 2.264 411 M HA 0.540 5.008 4.480 -0.019 0.000 0.352 411 M C -1.271 175.080 176.300 0.085 0.000 1.173 411 M CA -0.691 54.616 55.300 0.013 0.000 1.075 411 M CB 0.952 33.530 32.600 -0.036 0.000 1.621 411 M HN 0.794 nan 8.290 nan 0.000 0.457 412 L N 3.064 124.389 121.223 0.169 0.000 2.404 412 L HA 0.518 4.847 4.340 -0.019 0.000 0.272 412 L C -0.737 176.324 176.870 0.318 0.000 0.980 412 L CA 0.176 55.154 54.840 0.229 0.000 0.836 412 L CB 1.897 44.091 42.059 0.226 0.000 1.238 412 L HN 0.678 nan 8.230 nan 0.000 0.408 413 T N 5.912 120.617 114.554 0.251 0.000 2.811 413 T HA 0.287 4.625 4.350 -0.019 0.000 0.309 413 T C -0.446 174.433 174.700 0.299 0.000 1.005 413 T CA 0.216 62.471 62.100 0.258 0.000 0.955 413 T CB -0.348 68.606 68.868 0.143 0.000 0.970 413 T HN 0.383 nan 8.240 nan 0.000 0.496 414 F N 6.526 126.616 119.950 0.232 0.000 2.509 414 F HA 0.160 4.677 4.527 -0.018 0.000 0.350 414 F C 1.820 177.620 175.800 0.002 0.000 1.220 414 F CA -0.779 57.297 58.000 0.127 0.000 1.151 414 F CB 0.118 39.263 39.000 0.241 0.000 1.379 414 F HN 0.683 nan 8.300 nan 0.000 0.610 415 H N 3.609 122.418 119.070 -0.436 0.000 2.512 415 H HA -0.063 4.483 4.556 -0.016 0.000 0.279 415 H C 1.345 176.423 175.328 -0.417 0.000 0.999 415 H CA 1.133 56.972 56.048 -0.347 0.000 1.283 415 H CB -0.503 29.046 29.762 -0.356 0.000 1.421 415 H HN 0.618 nan 8.280 nan 0.000 0.554 416 H N 1.614 119.916 119.070 -1.280 0.000 2.321 416 H HA -0.100 4.445 4.556 -0.019 0.000 0.295 416 H C 0.559 175.791 175.328 -0.159 0.000 1.102 416 H CA 1.943 57.476 56.048 -0.858 0.000 1.266 416 H CB -0.283 28.800 29.762 -1.132 0.000 1.363 416 H HN 0.495 nan 8.280 nan 0.000 0.492 417 F N -3.205 116.793 119.950 0.079 0.000 2.926 417 F HA 0.620 5.135 4.527 -0.019 0.000 0.321 417 F C 0.166 176.174 175.800 0.347 0.000 1.168 417 F CA -0.574 57.560 58.000 0.224 0.000 0.890 417 F CB 0.922 40.046 39.000 0.206 0.000 1.357 417 F HN 0.059 nan 8.300 nan 0.000 0.468 418 G N 0.308 109.441 108.800 0.555 0.000 3.310 418 G HA2 0.314 4.262 3.960 -0.019 0.000 0.174 418 G HA3 0.314 4.262 3.960 -0.019 0.000 0.174 418 G C -0.243 174.844 174.900 0.313 0.000 1.097 418 G CA -0.686 44.617 45.100 0.339 0.000 0.795 418 G HN 0.630 nan 8.290 nan 0.000 0.670 419 K N 0.574 121.066 120.400 0.153 0.000 2.211 419 K HA -0.051 4.257 4.320 -0.019 0.000 0.203 419 K C 2.147 178.779 176.600 0.053 0.000 1.050 419 K CA 1.563 57.902 56.287 0.087 0.000 0.945 419 K CB -0.056 32.475 32.500 0.051 0.000 0.732 419 K HN 0.522 nan 8.250 nan 0.000 0.451 420 D N 1.081 121.539 120.400 0.097 0.000 2.126 420 D HA -0.267 4.362 4.640 -0.019 0.000 0.190 420 D C 1.746 178.048 176.300 0.004 0.000 1.001 420 D CA 1.340 55.378 54.000 0.064 0.000 0.841 420 D CB -0.749 40.118 40.800 0.111 0.000 0.949 420 D HN 0.182 nan 8.370 nan 0.000 0.446 421 F N 1.994 121.865 119.950 -0.133 0.000 2.075 421 F HA 0.036 4.552 4.527 -0.019 0.000 0.297 421 F C -0.899 174.676 175.800 -0.376 0.000 1.113 421 F CA 0.631 58.430 58.000 -0.335 0.000 1.218 421 F CB -1.347 37.208 39.000 -0.742 0.000 0.984 421 F HN -0.015 nan 8.300 nan 0.000 0.472 422 P HA -0.200 nan 4.420 nan 0.000 0.216 422 P C 1.352 178.380 177.300 -0.454 0.000 1.153 422 P CA 2.352 65.001 63.100 -0.752 0.000 0.858 422 P CB -0.138 31.276 31.700 -0.477 0.000 0.789 423 K N -0.206 120.029 120.400 -0.274 0.000 2.097 423 K HA -0.109 4.199 4.320 -0.019 0.000 0.206 423 K C 2.262 178.744 176.600 -0.197 0.000 1.049 423 K CA 1.938 58.122 56.287 -0.172 0.000 0.933 423 K CB -0.592 31.855 32.500 -0.089 0.000 0.717 423 K HN 0.236 nan 8.250 nan 0.000 0.442 424 S N 1.027 116.575 115.700 -0.253 0.000 2.442 424 S HA -0.096 4.362 4.470 -0.019 0.000 0.236 424 S C 1.499 175.944 174.600 -0.258 0.000 1.007 424 S CA 0.917 58.991 58.200 -0.211 0.000 0.965 424 S CB -0.016 63.082 63.200 -0.170 0.000 0.773 424 S HN 0.176 nan 8.310 nan 0.000 0.504 425 E N 1.083 121.035 120.200 -0.413 0.000 2.479 425 E HA 0.176 4.514 4.350 -0.019 0.000 0.193 425 E C -0.110 176.375 176.600 -0.191 0.000 1.049 425 E CA 0.003 56.201 56.400 -0.336 0.000 0.870 425 E CB -0.110 29.283 29.700 -0.511 0.000 0.944 425 E HN 0.608 nan 8.360 nan 0.000 0.492 426 K N 0.246 120.548 120.400 -0.164 0.000 3.117 426 K HA -0.175 4.133 4.320 -0.019 0.000 0.269 426 K C -0.492 176.064 176.600 -0.074 0.000 1.098 426 K CA 0.328 56.559 56.287 -0.094 0.000 0.785 426 K CB -1.544 30.919 32.500 -0.062 0.000 1.242 426 K HN 0.110 nan 8.250 nan 0.000 0.491 427 L N 0.069 121.232 121.223 -0.100 0.000 2.362 427 L HA 0.329 4.657 4.340 -0.019 0.000 0.271 427 L C 0.592 177.453 176.870 -0.015 0.000 1.002 427 L CA -0.921 53.896 54.840 -0.038 0.000 0.818 427 L CB 1.945 43.999 42.059 -0.008 0.000 1.298 427 L HN 0.064 nan 8.230 nan 0.000 0.420 428 S N 2.666 118.390 115.700 0.041 0.000 2.525 428 S HA 0.144 4.602 4.470 -0.019 0.000 0.285 428 S C -1.671 172.988 174.600 0.099 0.000 1.283 428 S CA -0.873 57.367 58.200 0.066 0.000 1.072 428 S CB 0.883 64.144 63.200 0.100 0.000 0.867 428 S HN 0.373 nan 8.310 nan 0.000 0.492 429 P HA -0.087 nan 4.420 nan 0.000 0.215 429 P C 0.974 178.384 177.300 0.183 0.000 1.157 429 P CA 1.126 64.289 63.100 0.106 0.000 0.868 429 P CB 0.077 31.822 31.700 0.075 0.000 0.788 430 D N -0.869 119.634 120.400 0.173 0.000 2.097 430 D HA -0.152 4.477 4.640 -0.019 0.000 0.195 430 D C 1.912 178.273 176.300 0.102 0.000 0.989 430 D CA 1.449 55.574 54.000 0.208 0.000 0.827 430 D CB -0.619 40.319 40.800 0.229 0.000 0.966 430 D HN -0.050 nan 8.370 nan 0.000 0.456 431 A N -0.341 122.533 122.820 0.090 0.000 1.883 431 A HA -0.147 4.161 4.320 -0.019 0.000 0.217 431 A C 2.192 179.728 177.584 -0.081 0.000 1.186 431 A CA 1.362 53.354 52.037 -0.076 0.000 0.624 431 A CB -1.287 17.781 19.000 0.114 0.000 0.822 431 A HN 0.437 nan 8.150 nan 0.000 0.444 432 F N 0.644 120.551 119.950 -0.072 0.000 2.095 432 F HA -0.206 4.309 4.527 -0.020 0.000 0.298 432 F C 2.021 177.794 175.800 -0.044 0.000 1.104 432 F CA 1.967 59.941 58.000 -0.043 0.000 1.232 432 F CB -0.224 38.791 39.000 0.024 0.000 0.987 432 F HN 0.197 nan 8.300 nan 0.000 0.475 433 I N -0.140 120.552 120.570 0.204 0.000 2.179 433 I HA -0.307 3.851 4.170 -0.019 0.000 0.242 433 I C 2.410 178.455 176.117 -0.120 0.000 1.088 433 I CA 1.124 62.443 61.300 0.030 0.000 1.357 433 I CB -0.608 37.335 38.000 -0.094 0.000 1.051 433 I HN 0.225 nan 8.210 nan 0.000 0.409 434 Q N 0.187 119.891 119.800 -0.159 0.000 2.119 434 Q HA -0.123 4.206 4.340 -0.019 0.000 0.201 434 Q C 2.499 178.398 176.000 -0.167 0.000 0.972 434 Q CA 1.305 56.993 55.803 -0.192 0.000 0.847 434 Q CB -0.333 28.134 28.738 -0.451 0.000 0.903 434 Q HN 0.409 nan 8.270 nan 0.000 0.433 435 V N 1.084 120.870 119.914 -0.214 0.000 2.358 435 V HA -0.211 3.898 4.120 -0.019 0.000 0.246 435 V C 2.381 178.443 176.094 -0.054 0.000 1.047 435 V CA 1.585 63.805 62.300 -0.133 0.000 1.035 435 V CB -0.960 30.710 31.823 -0.256 0.000 0.658 435 V HN 0.300 nan 8.190 nan 0.000 0.452 436 A N -0.033 122.693 122.820 -0.158 0.000 1.940 436 A HA -0.213 4.095 4.320 -0.019 0.000 0.219 436 A C 2.153 179.720 177.584 -0.029 0.000 1.176 436 A CA 2.116 54.093 52.037 -0.100 0.000 0.631 436 A CB -0.566 18.336 19.000 -0.164 0.000 0.814 436 A HN 0.462 nan 8.150 nan 0.000 0.446 437 L N -0.622 120.570 121.223 -0.052 0.000 2.093 437 L HA -0.146 4.182 4.340 -0.019 0.000 0.208 437 L C 2.279 179.200 176.870 0.084 0.000 1.085 437 L CA 1.997 56.828 54.840 -0.015 0.000 0.755 437 L CB -0.642 41.401 42.059 -0.026 0.000 0.904 437 L HN 0.350 nan 8.230 nan 0.000 0.435 438 Q N -0.685 119.172 119.800 0.094 0.000 2.119 438 Q HA -0.163 4.166 4.340 -0.019 0.000 0.201 438 Q C 2.245 178.376 176.000 0.218 0.000 0.972 438 Q CA 1.611 57.512 55.803 0.162 0.000 0.847 438 Q CB -0.591 28.231 28.738 0.140 0.000 0.903 438 Q HN 0.493 nan 8.270 nan 0.000 0.433 439 L N 0.688 122.013 121.223 0.170 0.000 2.056 439 L HA -0.043 4.285 4.340 -0.019 0.000 0.207 439 L C 2.136 179.114 176.870 0.180 0.000 1.078 439 L CA 2.051 56.972 54.840 0.136 0.000 0.749 439 L CB -0.942 41.181 42.059 0.107 0.000 0.901 439 L HN 0.103 nan 8.230 nan 0.000 0.433 440 A N -1.270 121.645 122.820 0.159 0.000 1.883 440 A HA -0.309 4.000 4.320 -0.019 0.000 0.217 440 A C 2.333 180.001 177.584 0.140 0.000 1.186 440 A CA 2.012 54.151 52.037 0.171 0.000 0.624 440 A CB -1.307 17.756 19.000 0.105 0.000 0.822 440 A HN 0.623 nan 8.150 nan 0.000 0.444 441 Y N -1.550 118.800 120.300 0.083 0.000 2.145 441 Y HA -0.277 4.261 4.550 -0.020 0.000 0.286 441 Y C 2.292 178.304 175.900 0.187 0.000 1.145 441 Y CA 2.222 60.410 58.100 0.146 0.000 1.148 441 Y CB -0.615 37.942 38.460 0.161 0.000 0.981 441 Y HN 0.429 nan 8.280 nan 0.000 0.507 442 Y N 0.927 121.358 120.300 0.218 0.000 2.165 442 Y HA -0.283 4.256 4.550 -0.020 0.000 0.286 442 Y C 2.498 178.388 175.900 -0.017 0.000 1.155 442 Y CA 2.097 60.268 58.100 0.118 0.000 1.164 442 Y CB -0.352 38.165 38.460 0.095 0.000 0.978 442 Y HN 0.034 nan 8.280 nan 0.000 0.513 443 R N -0.319 120.239 120.500 0.096 0.000 2.120 443 R HA -0.152 4.176 4.340 -0.019 0.000 0.234 443 R C 2.124 178.280 176.300 -0.240 0.000 1.123 443 R CA 1.857 57.973 56.100 0.025 0.000 0.975 443 R CB -0.323 30.117 30.300 0.233 0.000 0.866 443 R HN 0.432 nan 8.270 nan 0.000 0.446 444 I N -1.406 118.848 120.570 -0.528 0.000 2.339 444 I HA -0.172 3.986 4.170 -0.019 0.000 0.245 444 I C 1.166 176.731 176.117 -0.920 0.000 1.096 444 I CA 1.120 61.867 61.300 -0.922 0.000 1.408 444 I CB 0.044 37.270 38.000 -1.290 0.000 1.092 444 I HN 0.105 nan 8.210 nan 0.000 0.423 445 Y N 0.352 120.335 120.300 -0.529 0.000 2.449 445 Y HA 0.331 4.869 4.550 -0.019 0.000 0.254 445 Y C 1.817 177.494 175.900 -0.371 0.000 1.140 445 Y CA 0.344 58.185 58.100 -0.432 0.000 1.272 445 Y CB 0.311 38.453 38.460 -0.530 0.000 1.114 445 Y HN 0.250 nan 8.280 nan 0.000 0.525 446 G N 0.876 109.408 108.800 -0.446 0.000 2.162 446 G HA2 -0.258 3.691 3.960 -0.019 0.000 0.260 446 G HA3 -0.258 3.691 3.960 -0.019 0.000 0.260 446 G C 0.007 174.533 174.900 -0.623 0.000 0.976 446 G CA 0.577 45.295 45.100 -0.636 0.000 0.655 446 G HN 0.493 nan 8.290 nan 0.000 0.533 447 Q N -1.793 117.803 119.800 -0.341 0.000 2.687 447 Q HA 0.780 5.108 4.340 -0.019 0.000 0.295 447 Q C -0.378 175.866 176.000 0.407 0.000 0.920 447 Q CA -0.531 55.338 55.803 0.110 0.000 0.766 447 Q CB 0.820 29.630 28.738 0.121 0.000 1.467 447 Q HN 1.353 nan 8.270 nan 0.000 0.415 448 A N 0.299 123.366 122.820 0.412 0.000 2.252 448 A HA 0.848 5.156 4.320 -0.019 0.000 0.305 448 A C 0.046 177.752 177.584 0.203 0.000 1.097 448 A CA 0.078 52.324 52.037 0.349 0.000 0.849 448 A CB 0.684 19.831 19.000 0.245 0.000 1.142 448 A HN 1.161 nan 8.150 nan 0.000 0.499 449 C N -1.631 117.658 119.300 -0.019 0.000 3.090 449 C HA 0.853 5.301 4.460 -0.019 0.000 0.305 449 C C 0.399 175.369 174.990 -0.032 0.000 1.292 449 C CA -0.482 58.481 59.018 -0.091 0.000 1.482 449 C CB 0.656 28.177 27.740 -0.365 0.000 1.897 449 C HN 1.796 nan 8.230 nan 0.000 0.469 450 A N 2.137 124.979 122.820 0.036 0.000 2.548 450 A HA 0.510 4.818 4.320 -0.019 0.000 0.247 450 A C 0.421 178.172 177.584 0.278 0.000 1.067 450 A CA 0.783 52.895 52.037 0.124 0.000 0.757 450 A CB -0.493 18.471 19.000 -0.060 0.000 0.996 450 A HN 1.059 nan 8.150 nan 0.000 0.504 451 T N 2.507 117.281 114.554 0.366 0.000 2.848 451 T HA 0.479 4.817 4.350 -0.019 0.000 0.285 451 T C -1.076 173.766 174.700 0.236 0.000 0.995 451 T CA -0.067 62.210 62.100 0.296 0.000 0.970 451 T CB 0.924 69.863 68.868 0.118 0.000 0.976 451 T HN 0.519 nan 8.240 nan 0.000 0.441 452 Y N 2.265 122.456 120.300 -0.182 0.000 2.352 452 Y HA 0.580 5.118 4.550 -0.020 0.000 0.339 452 Y C -0.135 175.611 175.900 -0.256 0.000 0.992 452 Y CA -0.712 57.027 58.100 -0.600 0.000 1.100 452 Y CB 1.106 38.749 38.460 -1.362 0.000 1.192 452 Y HN 0.679 nan 8.280 nan 0.000 0.458 453 E N 4.140 124.081 120.200 -0.433 0.000 2.246 453 E HA 0.373 4.711 4.350 -0.019 0.000 0.266 453 E C -1.326 175.029 176.600 -0.410 0.000 0.880 453 E CA -0.764 55.530 56.400 -0.177 0.000 0.762 453 E CB 1.407 31.086 29.700 -0.034 0.000 1.180 453 E HN 0.680 nan 8.360 nan 0.000 0.416 454 S N 1.969 117.596 115.700 -0.121 0.000 2.549 454 S HA 0.424 4.882 4.470 -0.019 0.000 0.286 454 S C -0.370 174.153 174.600 -0.128 0.000 1.314 454 S CA -0.061 58.080 58.200 -0.100 0.000 1.062 454 S CB 1.068 64.322 63.200 0.089 0.000 0.865 454 S HN 0.562 nan 8.310 nan 0.000 0.498 455 A N 2.505 125.230 122.820 -0.158 0.000 2.356 455 A HA 0.671 4.979 4.320 -0.019 0.000 0.310 455 A C -0.021 177.522 177.584 -0.068 0.000 1.075 455 A CA -0.672 51.298 52.037 -0.110 0.000 0.746 455 A CB 1.396 20.309 19.000 -0.145 0.000 1.221 455 A HN 0.643 nan 8.150 nan 0.000 0.443 456 S N 1.725 117.409 115.700 -0.027 0.000 2.545 456 S HA 0.434 4.893 4.470 -0.019 0.000 0.275 456 S C 0.240 174.846 174.600 0.010 0.000 1.299 456 S CA -0.431 57.765 58.200 -0.006 0.000 1.048 456 S CB 0.171 63.376 63.200 0.009 0.000 0.938 456 S HN 0.595 nan 8.310 nan 0.000 0.496 457 L N 5.448 126.683 121.223 0.021 0.000 2.965 457 L HA 0.314 4.642 4.340 -0.019 0.000 0.254 457 L C 1.695 178.637 176.870 0.119 0.000 1.220 457 L CA 0.289 55.194 54.840 0.109 0.000 1.023 457 L CB -0.514 41.590 42.059 0.074 0.000 1.355 457 L HN 0.745 nan 8.230 nan 0.000 0.545 458 R N 0.424 120.950 120.500 0.043 0.000 2.341 458 R HA -0.114 4.215 4.340 -0.019 0.000 0.213 458 R C 2.095 178.381 176.300 -0.024 0.000 1.082 458 R CA 0.865 56.984 56.100 0.031 0.000 1.017 458 R CB -0.081 30.239 30.300 0.034 0.000 0.860 458 R HN 0.465 nan 8.270 nan 0.000 0.473 459 M N -1.569 117.944 119.600 -0.145 0.000 2.562 459 M HA 0.095 4.563 4.480 -0.019 0.000 0.257 459 M C -0.367 175.655 176.300 -0.464 0.000 1.099 459 M CA 1.185 56.292 55.300 -0.323 0.000 1.099 459 M CB 0.220 32.538 32.600 -0.470 0.000 1.427 459 M HN -0.227 nan 8.290 nan 0.000 0.489 460 F N 0.433 120.391 119.950 0.013 0.000 2.458 460 F HA 0.357 4.872 4.527 -0.019 0.000 0.330 460 F C 0.739 176.559 175.800 0.032 0.000 1.082 460 F CA -1.178 56.832 58.000 0.017 0.000 0.995 460 F CB 0.554 39.551 39.000 -0.004 0.000 1.170 460 F HN 0.015 nan 8.300 nan 0.000 0.478 461 H N 4.361 123.508 119.070 0.129 0.000 3.107 461 H HA 0.038 4.583 4.556 -0.019 0.000 0.301 461 H C 0.737 176.088 175.328 0.038 0.000 0.981 461 H CA 0.542 56.610 56.048 0.033 0.000 1.443 461 H CB 0.297 30.059 29.762 -0.000 0.000 1.479 461 H HN 0.861 nan 8.280 nan 0.000 0.564 462 L N 2.942 124.016 121.223 -0.248 0.000 4.696 462 L HA -0.225 4.104 4.340 -0.019 0.000 0.425 462 L C 1.050 177.861 176.870 -0.099 0.000 1.115 462 L CA 0.612 55.305 54.840 -0.247 0.000 0.996 462 L CB -1.762 40.032 42.059 -0.442 0.000 2.077 462 L HN 0.795 nan 8.230 nan 0.000 0.792 463 G N -0.122 108.667 108.800 -0.018 0.000 2.432 463 G HA2 0.322 4.270 3.960 -0.019 0.000 0.239 463 G HA3 0.322 4.270 3.960 -0.019 0.000 0.239 463 G C 0.760 175.654 174.900 -0.010 0.000 1.291 463 G CA -0.188 44.911 45.100 -0.001 0.000 0.863 463 G HN 0.110 nan 8.290 nan 0.000 0.560 464 R N 0.252 120.717 120.500 -0.058 0.000 1.792 464 R HA 0.376 4.705 4.340 -0.019 0.000 0.139 464 R C 1.004 177.259 176.300 -0.074 0.000 2.091 464 R CA 1.038 57.125 56.100 -0.022 0.000 1.697 464 R CB -0.565 29.759 30.300 0.039 0.000 1.340 464 R HN 0.710 nan 8.270 nan 0.000 0.481 465 T N -1.378 113.037 114.554 -0.232 0.000 2.841 465 T HA 0.571 4.909 4.350 -0.019 0.000 0.296 465 T C -1.052 173.406 174.700 -0.403 0.000 1.166 465 T CA -0.812 61.146 62.100 -0.236 0.000 1.007 465 T CB 2.864 71.659 68.868 -0.122 0.000 1.253 465 T HN 0.066 nan 8.240 nan 0.000 0.511 466 D N -0.803 119.416 120.400 -0.301 0.000 2.610 466 D HA 0.549 5.178 4.640 -0.019 0.000 0.271 466 D C -1.030 175.045 176.300 -0.374 0.000 1.174 466 D CA -0.261 53.545 54.000 -0.323 0.000 0.949 466 D CB 2.594 43.274 40.800 -0.200 0.000 1.430 466 D HN 0.670 nan 8.370 nan 0.000 0.467 467 T N 1.050 115.355 114.554 -0.416 0.000 2.795 467 T HA 0.541 4.879 4.350 -0.019 0.000 0.282 467 T C 0.229 174.606 174.700 -0.539 0.000 0.980 467 T CA -0.364 61.341 62.100 -0.658 0.000 1.012 467 T CB 0.556 69.057 68.868 -0.611 0.000 0.936 467 T HN 0.160 nan 8.240 nan 0.000 0.457 468 I N 3.291 123.463 120.570 -0.663 0.000 2.321 468 I HA 0.351 4.510 4.170 -0.019 0.000 0.291 468 I C 0.525 176.167 176.117 -0.792 0.000 0.998 468 I CA -0.650 60.164 61.300 -0.811 0.000 1.227 468 I CB 1.149 38.786 38.000 -0.604 0.000 1.368 468 I HN 0.325 nan 8.210 nan 0.000 0.466 469 R N 4.274 124.161 120.500 -1.021 0.000 2.204 469 R HA 0.252 4.580 4.340 -0.019 0.000 0.341 469 R C 0.789 176.941 176.300 -0.247 0.000 1.035 469 R CA -0.201 55.676 56.100 -0.370 0.000 0.887 469 R CB 0.973 31.286 30.300 0.022 0.000 1.114 469 R HN 0.625 nan 8.270 nan 0.000 0.473 470 S N 1.484 117.154 115.700 -0.050 0.000 2.481 470 S HA -0.053 4.406 4.470 -0.019 0.000 0.231 470 S C 0.905 175.589 174.600 0.140 0.000 0.996 470 S CA 0.442 58.718 58.200 0.127 0.000 0.942 470 S CB 0.300 63.589 63.200 0.147 0.000 0.768 470 S HN 0.658 nan 8.310 nan 0.000 0.520 471 A N 2.357 125.256 122.820 0.131 0.000 2.279 471 A HA 0.617 4.925 4.320 -0.019 0.000 0.306 471 A C 0.460 178.149 177.584 0.175 0.000 1.300 471 A CA -0.554 51.569 52.037 0.143 0.000 0.925 471 A CB 0.249 19.328 19.000 0.132 0.000 1.152 471 A HN 0.341 nan 8.150 nan 0.000 0.544 472 S N 1.883 117.685 115.700 0.170 0.000 2.697 472 S HA 0.606 5.065 4.470 -0.019 0.000 0.289 472 S C 0.768 175.450 174.600 0.137 0.000 1.149 472 S CA -0.639 57.672 58.200 0.184 0.000 0.850 472 S CB 0.498 63.826 63.200 0.213 0.000 1.151 472 S HN 0.414 nan 8.310 nan 0.000 0.491 473 I N 0.933 121.577 120.570 0.123 0.000 2.226 473 I HA -0.160 3.999 4.170 -0.019 0.000 0.245 473 I C 1.691 177.852 176.117 0.073 0.000 1.100 473 I CA 1.442 62.787 61.300 0.076 0.000 1.374 473 I CB -0.341 37.693 38.000 0.056 0.000 1.057 473 I HN 0.664 nan 8.210 nan 0.000 0.413 474 D N 0.266 120.723 120.400 0.094 0.000 2.183 474 D HA -0.112 4.517 4.640 -0.019 0.000 0.203 474 D C 2.380 178.750 176.300 0.116 0.000 0.969 474 D CA 1.677 55.731 54.000 0.091 0.000 0.842 474 D CB -0.022 40.831 40.800 0.088 0.000 0.957 474 D HN 0.372 nan 8.370 nan 0.000 0.484 475 S N 0.816 116.593 115.700 0.129 0.000 2.368 475 S HA -0.131 4.328 4.470 -0.019 0.000 0.224 475 S C 2.077 176.752 174.600 0.125 0.000 1.029 475 S CA 0.409 58.705 58.200 0.160 0.000 0.988 475 S CB -0.502 62.787 63.200 0.149 0.000 0.838 475 S HN 0.124 nan 8.310 nan 0.000 0.462 476 L N 2.243 123.505 121.223 0.064 0.000 2.056 476 L HA 0.202 4.530 4.340 -0.019 0.000 0.207 476 L C 2.751 179.567 176.870 -0.090 0.000 1.078 476 L CA 1.670 56.492 54.840 -0.030 0.000 0.749 476 L CB -1.315 40.753 42.059 0.014 0.000 0.901 476 L HN 0.377 nan 8.230 nan 0.000 0.433 477 A N -0.908 121.907 122.820 -0.008 0.000 1.908 477 A HA -0.281 4.027 4.320 -0.019 0.000 0.218 477 A C 2.253 179.835 177.584 -0.004 0.000 1.181 477 A CA 1.968 53.999 52.037 -0.011 0.000 0.627 477 A CB -1.148 17.869 19.000 0.029 0.000 0.818 477 A HN 0.567 nan 8.150 nan 0.000 0.445 478 F N 1.347 121.246 119.950 -0.085 0.000 2.113 478 F HA -0.145 4.371 4.527 -0.020 0.000 0.297 478 F C 2.297 178.020 175.800 -0.129 0.000 1.103 478 F CA 2.034 59.983 58.000 -0.085 0.000 1.248 478 F CB -0.644 38.318 39.000 -0.063 0.000 0.999 478 F HN 0.125 nan 8.300 nan 0.000 0.475 479 V N -0.842 118.737 119.914 -0.559 0.000 2.407 479 V HA -0.238 3.871 4.120 -0.019 0.000 0.248 479 V C 2.280 177.940 176.094 -0.722 0.000 1.055 479 V CA 2.145 63.990 62.300 -0.759 0.000 1.049 479 V CB -1.186 30.307 31.823 -0.550 0.000 0.662 479 V HN 0.351 nan 8.190 nan 0.000 0.455 480 K N 1.246 121.257 120.400 -0.648 0.000 2.025 480 K HA 0.016 4.325 4.320 -0.019 0.000 0.207 480 K C 2.374 178.833 176.600 -0.235 0.000 1.049 480 K CA 1.568 57.602 56.287 -0.423 0.000 0.933 480 K CB -0.875 31.466 32.500 -0.266 0.000 0.714 480 K HN 0.596 nan 8.250 nan 0.000 0.438 481 G N 1.307 109.979 108.800 -0.213 0.000 2.432 481 G HA2 -0.281 3.668 3.960 -0.019 0.000 0.219 481 G HA3 -0.281 3.668 3.960 -0.019 0.000 0.219 481 G C 1.458 176.267 174.900 -0.150 0.000 1.135 481 G CA 0.815 45.838 45.100 -0.129 0.000 0.767 481 G HN 0.161 nan 8.290 nan 0.000 0.550 482 M N 1.576 120.992 119.600 -0.307 0.000 2.144 482 M HA 0.044 4.512 4.480 -0.019 0.000 0.260 482 M C 2.051 178.267 176.300 -0.140 0.000 1.067 482 M CA 1.778 56.907 55.300 -0.285 0.000 1.095 482 M CB -0.416 31.820 32.600 -0.607 0.000 1.365 482 M HN 0.081 nan 8.290 nan 0.000 0.406 483 G N -0.644 108.083 108.800 -0.121 0.000 3.523 483 G HA2 0.092 4.040 3.960 -0.019 0.000 0.270 483 G HA3 0.092 4.040 3.960 -0.019 0.000 0.270 483 G C -0.715 174.174 174.900 -0.018 0.000 1.134 483 G CA -0.266 44.810 45.100 -0.040 0.000 0.825 483 G HN 0.386 nan 8.290 nan 0.000 0.534 484 D N -0.202 120.178 120.400 -0.032 0.000 2.303 484 D HA 0.373 5.001 4.640 -0.019 0.000 0.236 484 D C 1.191 177.486 176.300 -0.008 0.000 1.068 484 D CA -0.382 53.609 54.000 -0.015 0.000 0.830 484 D CB 1.889 42.674 40.800 -0.024 0.000 1.109 484 D HN -0.093 nan 8.370 nan 0.000 0.496 485 S N 1.319 117.019 115.700 -0.000 0.000 2.402 485 S HA -0.136 4.323 4.470 -0.019 0.000 0.229 485 S C 1.810 176.412 174.600 0.003 0.000 1.021 485 S CA 1.515 59.717 58.200 0.004 0.000 0.974 485 S CB -0.110 63.093 63.200 0.006 0.000 0.800 485 S HN 0.772 nan 8.310 nan 0.000 0.484 486 T N -0.283 114.272 114.554 0.001 0.000 3.163 486 T HA 0.098 4.436 4.350 -0.019 0.000 0.260 486 T C 0.312 175.010 174.700 -0.002 0.000 1.156 486 T CA 0.116 62.216 62.100 0.000 0.000 1.072 486 T CB -0.386 68.482 68.868 0.000 0.000 0.937 486 T HN 0.042 nan 8.240 nan 0.000 0.528 487 V N 2.967 122.879 119.914 -0.004 0.000 2.326 487 V HA 0.385 4.493 4.120 -0.019 0.000 0.281 487 V C -2.426 173.664 176.094 -0.005 0.000 1.015 487 V CA -2.371 59.925 62.300 -0.006 0.000 0.823 487 V CB 1.262 33.078 31.823 -0.011 0.000 1.009 487 V HN 0.169 nan 8.190 nan 0.000 0.436 488 P HA 0.082 nan 4.420 nan 0.000 0.267 488 P C 1.045 178.322 177.300 -0.038 0.000 1.200 488 P CA 0.054 63.146 63.100 -0.013 0.000 0.772 488 P CB 0.739 32.428 31.700 -0.018 0.000 0.855 489 E N 1.301 121.476 120.200 -0.041 0.000 2.130 489 E HA -0.280 4.059 4.350 -0.019 0.000 0.196 489 E C 1.658 178.070 176.600 -0.314 0.000 0.998 489 E CA 1.456 57.796 56.400 -0.100 0.000 0.806 489 E CB -0.069 29.668 29.700 0.063 0.000 0.738 489 E HN 0.591 nan 8.360 nan 0.000 0.459 490 Q N 0.408 120.000 119.800 -0.346 0.000 2.124 490 Q HA -0.205 4.124 4.340 -0.019 0.000 0.202 490 Q C 2.176 178.094 176.000 -0.136 0.000 0.977 490 Q CA 1.287 56.909 55.803 -0.301 0.000 0.850 490 Q CB -0.006 28.634 28.738 -0.164 0.000 0.901 490 Q HN 0.338 nan 8.270 nan 0.000 0.429 491 Q N 0.059 119.812 119.800 -0.078 0.000 2.123 491 Q HA -0.121 4.207 4.340 -0.019 0.000 0.199 491 Q C 1.840 177.846 176.000 0.010 0.000 0.966 491 Q CA 0.955 56.743 55.803 -0.025 0.000 0.845 491 Q CB 0.169 28.899 28.738 -0.013 0.000 0.907 491 Q HN 0.227 nan 8.270 nan 0.000 0.439 492 K N -0.135 120.274 120.400 0.015 0.000 2.097 492 K HA -0.126 4.183 4.320 -0.019 0.000 0.206 492 K C 2.044 178.728 176.600 0.140 0.000 1.049 492 K CA 1.301 57.650 56.287 0.104 0.000 0.933 492 K CB -0.085 32.471 32.500 0.093 0.000 0.717 492 K HN 0.046 nan 8.250 nan 0.000 0.442 493 V N 1.960 121.897 119.914 0.038 0.000 2.307 493 V HA -0.232 3.876 4.120 -0.019 0.000 0.245 493 V C 2.010 178.107 176.094 0.004 0.000 1.045 493 V CA 1.774 64.089 62.300 0.025 0.000 1.024 493 V CB -0.437 31.374 31.823 -0.019 0.000 0.651 493 V HN 0.335 nan 8.190 nan 0.000 0.449 494 E N 0.045 120.244 120.200 -0.001 0.000 2.085 494 E HA -0.213 4.125 4.350 -0.019 0.000 0.194 494 E C 2.223 178.827 176.600 0.007 0.000 0.994 494 E CA 1.312 57.712 56.400 -0.001 0.000 0.801 494 E CB -0.230 29.470 29.700 -0.000 0.000 0.743 494 E HN 0.501 nan 8.360 nan 0.000 0.453 495 L N 0.745 121.997 121.223 0.049 0.000 2.093 495 L HA -0.161 4.167 4.340 -0.019 0.000 0.208 495 L C 2.573 179.430 176.870 -0.022 0.000 1.085 495 L CA 0.628 55.523 54.840 0.091 0.000 0.755 495 L CB -0.296 41.892 42.059 0.216 0.000 0.904 495 L HN 0.217 nan 8.230 nan 0.000 0.435 496 L N -0.218 120.905 121.223 -0.168 0.000 2.017 496 L HA -0.221 4.108 4.340 -0.019 0.000 0.208 496 L C 2.930 179.580 176.870 -0.366 0.000 1.073 496 L CA 1.415 55.838 54.840 -0.695 0.000 0.745 496 L CB -0.180 41.542 42.059 -0.561 0.000 0.894 496 L HN 0.168 nan 8.230 nan 0.000 0.432 497 R N -0.172 120.230 120.500 -0.163 0.000 2.081 497 R HA -0.220 4.109 4.340 -0.019 0.000 0.235 497 R C 2.360 178.625 176.300 -0.060 0.000 1.131 497 R CA 1.731 57.780 56.100 -0.086 0.000 0.960 497 R CB -0.320 29.958 30.300 -0.037 0.000 0.856 497 R HN 0.347 nan 8.270 nan 0.000 0.436 498 K N 0.637 121.010 120.400 -0.045 0.000 2.097 498 K HA -0.092 4.216 4.320 -0.019 0.000 0.206 498 K C 2.034 178.633 176.600 -0.002 0.000 1.049 498 K CA 1.272 57.555 56.287 -0.007 0.000 0.933 498 K CB -0.026 32.481 32.500 0.012 0.000 0.717 498 K HN 0.160 nan 8.250 nan 0.000 0.442 499 A N 0.365 123.155 122.820 -0.050 0.000 1.898 499 A HA -0.077 4.231 4.320 -0.019 0.000 0.216 499 A C 2.189 179.767 177.584 -0.011 0.000 1.181 499 A CA 1.303 53.325 52.037 -0.026 0.000 0.620 499 A CB -0.503 18.439 19.000 -0.097 0.000 0.819 499 A HN 0.151 nan 8.150 nan 0.000 0.442 500 V N -0.041 119.829 119.914 -0.073 0.000 2.295 500 V HA -0.249 3.860 4.120 -0.019 0.000 0.246 500 V C 2.762 178.897 176.094 0.068 0.000 1.049 500 V CA 2.060 64.352 62.300 -0.014 0.000 1.024 500 V CB -0.668 31.135 31.823 -0.034 0.000 0.648 500 V HN 0.520 nan 8.190 nan 0.000 0.447 501 Q N -0.296 119.531 119.800 0.045 0.000 2.124 501 Q HA -0.132 4.196 4.340 -0.019 0.000 0.202 501 Q C 2.392 178.447 176.000 0.090 0.000 0.977 501 Q CA 1.878 57.719 55.803 0.063 0.000 0.850 501 Q CB -0.732 28.031 28.738 0.041 0.000 0.901 501 Q HN 0.661 nan 8.270 nan 0.000 0.429 502 A N 0.414 123.294 122.820 0.101 0.000 1.902 502 A HA -0.217 4.091 4.320 -0.019 0.000 0.217 502 A C 2.030 179.716 177.584 0.169 0.000 1.181 502 A CA 1.636 53.749 52.037 0.127 0.000 0.623 502 A CB -0.799 18.281 19.000 0.132 0.000 0.818 502 A HN 0.440 nan 8.150 nan 0.000 0.443 503 H N -0.492 118.631 119.070 0.088 0.000 2.389 503 H HA -0.079 4.465 4.556 -0.019 0.000 0.299 503 H C 2.293 177.672 175.328 0.086 0.000 1.081 503 H CA 1.828 57.925 56.048 0.083 0.000 1.345 503 H CB 0.049 29.833 29.762 0.038 0.000 1.393 503 H HN 0.401 nan 8.280 nan 0.000 0.520 504 R N 1.009 121.618 120.500 0.181 0.000 2.092 504 R HA -0.005 4.323 4.340 -0.019 0.000 0.231 504 R C 2.393 178.735 176.300 0.070 0.000 1.119 504 R CA 1.580 57.755 56.100 0.125 0.000 0.970 504 R CB -0.827 29.539 30.300 0.110 0.000 0.864 504 R HN 0.289 nan 8.270 nan 0.000 0.440 505 A N -0.791 122.074 122.820 0.074 0.000 1.930 505 A HA -0.154 4.155 4.320 -0.019 0.000 0.217 505 A C 2.223 179.831 177.584 0.039 0.000 1.175 505 A CA 1.331 53.399 52.037 0.052 0.000 0.627 505 A CB -0.910 18.121 19.000 0.053 0.000 0.815 505 A HN 0.579 nan 8.150 nan 0.000 0.443 506 Y N 0.722 120.952 120.300 -0.117 0.000 2.200 506 Y HA -0.202 4.336 4.550 -0.019 0.000 0.290 506 Y C 2.771 178.551 175.900 -0.201 0.000 1.137 506 Y CA 1.700 59.686 58.100 -0.190 0.000 1.163 506 Y CB -0.085 38.240 38.460 -0.223 0.000 0.988 506 Y HN 0.353 nan 8.280 nan 0.000 0.518 507 T N 0.077 114.638 114.554 0.012 0.000 2.652 507 T HA -0.213 4.126 4.350 -0.019 0.000 0.267 507 T C 1.314 176.025 174.700 0.020 0.000 1.039 507 T CA 1.655 63.733 62.100 -0.037 0.000 1.153 507 T CB -0.435 68.407 68.868 -0.043 0.000 0.863 507 T HN 0.405 nan 8.240 nan 0.000 0.428 508 D N 0.776 121.194 120.400 0.030 0.000 2.149 508 D HA -0.072 4.556 4.640 -0.019 0.000 0.198 508 D C 2.399 178.720 176.300 0.036 0.000 0.990 508 D CA 0.947 54.968 54.000 0.034 0.000 0.839 508 D CB -0.156 40.666 40.800 0.036 0.000 0.948 508 D HN 0.363 nan 8.370 nan 0.000 0.460 509 R N 0.601 121.109 120.500 0.014 0.000 2.075 509 R HA -0.003 4.325 4.340 -0.019 0.000 0.232 509 R C 2.387 178.705 176.300 0.030 0.000 1.126 509 R CA 1.010 57.107 56.100 -0.005 0.000 0.963 509 R CB -0.246 29.966 30.300 -0.147 0.000 0.858 509 R HN 0.068 nan 8.270 nan 0.000 0.435 510 A N 2.258 125.103 122.820 0.043 0.000 1.865 510 A HA -0.172 4.137 4.320 -0.019 0.000 0.217 510 A C 2.220 179.838 177.584 0.057 0.000 1.191 510 A CA 1.735 53.797 52.037 0.040 0.000 0.623 510 A CB -0.753 18.254 19.000 0.012 0.000 0.826 510 A HN 0.474 nan 8.150 nan 0.000 0.444 511 I N -3.739 116.863 120.570 0.055 0.000 2.756 511 I HA -0.071 4.087 4.170 -0.019 0.000 0.262 511 I C 1.688 177.893 176.117 0.148 0.000 1.225 511 I CA 1.268 62.611 61.300 0.073 0.000 1.472 511 I CB -0.260 37.761 38.000 0.034 0.000 1.094 511 I HN 0.122 nan 8.210 nan 0.000 0.454 512 R N 1.508 122.115 120.500 0.178 0.000 2.427 512 R HA 0.275 4.603 4.340 -0.019 0.000 0.262 512 R C 1.124 177.681 176.300 0.428 0.000 0.943 512 R CA 0.465 56.734 56.100 0.282 0.000 1.081 512 R CB 0.575 30.974 30.300 0.164 0.000 1.166 512 R HN 0.592 nan 8.270 nan 0.000 0.534 513 G N 1.587 110.575 108.800 0.315 0.000 2.160 513 G HA2 -0.300 3.648 3.960 -0.019 0.000 0.251 513 G HA3 -0.300 3.648 3.960 -0.019 0.000 0.251 513 G C 0.315 175.261 174.900 0.076 0.000 1.008 513 G CA 0.254 45.408 45.100 0.089 0.000 0.724 513 G HN 0.469 nan 8.290 nan 0.000 0.514 514 E N -0.313 119.947 120.200 0.099 0.000 2.501 514 E HA 0.515 4.853 4.350 -0.019 0.000 0.201 514 E C 1.619 178.264 176.600 0.075 0.000 1.016 514 E CA 0.228 56.694 56.400 0.109 0.000 0.920 514 E CB 0.489 30.252 29.700 0.105 0.000 1.023 514 E HN 0.721 nan 8.360 nan 0.000 0.474 515 A N 0.442 123.292 122.820 0.049 0.000 2.251 515 A HA 0.333 4.641 4.320 -0.019 0.000 0.278 515 A C 0.425 178.121 177.584 0.186 0.000 1.206 515 A CA -0.197 51.848 52.037 0.013 0.000 0.822 515 A CB 0.077 19.072 19.000 -0.009 0.000 1.187 515 A HN 0.339 nan 8.150 nan 0.000 0.504 516 F N -3.119 116.952 119.950 0.202 0.000 2.831 516 F HA 0.316 4.831 4.527 -0.019 0.000 0.334 516 F C 0.744 176.693 175.800 0.249 0.000 1.071 516 F CA 0.185 58.347 58.000 0.271 0.000 1.172 516 F CB -0.381 38.790 39.000 0.284 0.000 1.054 516 F HN 0.459 nan 8.300 nan 0.000 0.572 517 D N 1.309 121.561 120.400 -0.246 0.000 2.097 517 D HA -0.113 4.516 4.640 -0.019 0.000 0.195 517 D C 2.080 178.483 176.300 0.172 0.000 0.989 517 D CA 1.590 55.590 54.000 0.000 0.000 0.827 517 D CB 0.019 40.748 40.800 -0.119 0.000 0.966 517 D HN 0.001 nan 8.370 nan 0.000 0.456 518 R N -0.298 120.265 120.500 0.105 0.000 2.148 518 R HA -0.088 4.240 4.340 -0.019 0.000 0.227 518 R C 2.076 178.650 176.300 0.457 0.000 1.103 518 R CA 0.856 57.050 56.100 0.156 0.000 0.983 518 R CB -0.975 29.293 30.300 -0.053 0.000 0.874 518 R HN 0.566 nan 8.270 nan 0.000 0.451 519 H N 0.453 119.737 119.070 0.356 0.000 2.326 519 H HA 0.024 4.568 4.556 -0.019 0.000 0.301 519 H C 2.011 177.512 175.328 0.287 0.000 1.081 519 H CA 1.116 57.389 56.048 0.374 0.000 1.334 519 H CB 0.186 30.123 29.762 0.292 0.000 1.385 519 H HN 0.049 nan 8.280 nan 0.000 0.504 520 L N 0.356 121.739 121.223 0.266 0.000 2.083 520 L HA -0.181 4.148 4.340 -0.019 0.000 0.209 520 L C 2.714 179.628 176.870 0.073 0.000 1.083 520 L CA 0.582 55.514 54.840 0.153 0.000 0.752 520 L CB -0.339 41.857 42.059 0.230 0.000 0.899 520 L HN 0.329 nan 8.230 nan 0.000 0.433 521 L N 0.391 121.704 121.223 0.150 0.000 2.046 521 L HA -0.087 4.242 4.340 -0.019 0.000 0.208 521 L C 2.349 179.184 176.870 -0.058 0.000 1.077 521 L CA 2.180 57.037 54.840 0.027 0.000 0.747 521 L CB -1.078 41.080 42.059 0.164 0.000 0.896 521 L HN 0.118 nan 8.230 nan 0.000 0.432 522 G N -0.334 108.600 108.800 0.223 0.000 2.440 522 G HA2 -0.248 3.700 3.960 -0.019 0.000 0.218 522 G HA3 -0.248 3.700 3.960 -0.019 0.000 0.218 522 G C 1.608 176.537 174.900 0.048 0.000 1.154 522 G CA 1.133 46.417 45.100 0.307 0.000 0.767 522 G HN 0.451 nan 8.290 nan 0.000 0.552 523 L N 0.071 121.348 121.223 0.091 0.000 2.083 523 L HA -0.067 4.262 4.340 -0.019 0.000 0.209 523 L C 2.815 179.662 176.870 -0.037 0.000 1.083 523 L CA 1.588 56.507 54.840 0.130 0.000 0.752 523 L CB -0.314 41.938 42.059 0.322 0.000 0.899 523 L HN 0.227 nan 8.230 nan 0.000 0.433 524 K N 0.629 120.744 120.400 -0.474 0.000 2.025 524 K HA -0.158 4.150 4.320 -0.019 0.000 0.207 524 K C 2.141 178.465 176.600 -0.459 0.000 1.049 524 K CA 1.242 57.031 56.287 -0.830 0.000 0.933 524 K CB -0.054 31.638 32.500 -1.346 0.000 0.714 524 K HN 0.228 nan 8.250 nan 0.000 0.438 525 L N 0.709 121.601 121.223 -0.551 0.000 2.141 525 L HA -0.171 4.158 4.340 -0.019 0.000 0.209 525 L C 2.680 179.302 176.870 -0.413 0.000 1.094 525 L CA 0.963 55.381 54.840 -0.703 0.000 0.763 525 L CB -0.384 40.749 42.059 -1.543 0.000 0.908 525 L HN 0.303 nan 8.230 nan 0.000 0.437 526 Q N 0.472 120.145 119.800 -0.212 0.000 2.124 526 Q HA -0.153 4.176 4.340 -0.019 0.000 0.202 526 Q C 2.216 178.260 176.000 0.074 0.000 0.977 526 Q CA 1.957 57.838 55.803 0.130 0.000 0.850 526 Q CB -0.190 28.670 28.738 0.203 0.000 0.901 526 Q HN 0.421 nan 8.270 nan 0.000 0.429 527 A N 0.336 123.172 122.820 0.027 0.000 1.877 527 A HA -0.167 4.142 4.320 -0.019 0.000 0.216 527 A C 2.139 179.738 177.584 0.025 0.000 1.186 527 A CA 1.613 53.681 52.037 0.051 0.000 0.620 527 A CB -0.844 18.209 19.000 0.087 0.000 0.822 527 A HN 0.481 nan 8.150 nan 0.000 0.443 528 I N -0.584 119.972 120.570 -0.024 0.000 2.208 528 I HA -0.285 3.873 4.170 -0.019 0.000 0.245 528 I C 2.601 178.734 176.117 0.026 0.000 1.097 528 I CA 1.971 63.260 61.300 -0.019 0.000 1.363 528 I CB -0.354 37.603 38.000 -0.072 0.000 1.051 528 I HN 0.562 nan 8.210 nan 0.000 0.413 529 E N 0.855 121.092 120.200 0.062 0.000 2.152 529 E HA -0.230 4.108 4.350 -0.019 0.000 0.192 529 E C 1.241 177.896 176.600 0.091 0.000 0.983 529 E CA 1.091 57.560 56.400 0.116 0.000 0.818 529 E CB 0.113 29.950 29.700 0.228 0.000 0.758 529 E HN 0.388 nan 8.360 nan 0.000 0.467 530 D N 0.241 120.688 120.400 0.079 0.000 2.363 530 D HA -0.003 4.626 4.640 -0.019 0.000 0.220 530 D C 0.568 176.895 176.300 0.044 0.000 0.994 530 D CA 0.390 54.427 54.000 0.061 0.000 0.890 530 D CB 0.159 40.993 40.800 0.057 0.000 0.906 530 D HN 0.245 nan 8.370 nan 0.000 0.530 531 L N -0.906 120.342 121.223 0.042 0.000 3.730 531 L HA -0.191 4.137 4.340 -0.019 0.000 0.410 531 L C -0.083 176.804 176.870 0.028 0.000 1.234 531 L CA -0.168 54.691 54.840 0.032 0.000 0.911 531 L CB -2.274 39.802 42.059 0.029 0.000 1.942 531 L HN -0.061 nan 8.230 nan 0.000 0.860 532 V N -3.939 115.994 119.914 0.033 0.000 2.881 532 V HA 0.739 4.847 4.120 -0.019 0.000 0.316 532 V C 0.873 176.988 176.094 0.036 0.000 1.070 532 V CA -0.299 62.021 62.300 0.033 0.000 0.976 532 V CB 1.846 33.692 31.823 0.038 0.000 1.038 532 V HN 0.228 nan 8.190 nan 0.000 0.446 533 S N 2.409 118.130 115.700 0.034 0.000 2.563 533 S HA 0.244 4.702 4.470 -0.019 0.000 0.284 533 S C 0.204 174.837 174.600 0.055 0.000 1.331 533 S CA -0.364 57.858 58.200 0.036 0.000 1.047 533 S CB -0.055 63.162 63.200 0.029 0.000 0.859 533 S HN 0.985 nan 8.310 nan 0.000 0.514 534 M N 6.617 126.250 119.600 0.055 0.000 2.327 534 M HA 0.245 4.714 4.480 -0.019 0.000 0.353 534 M C -2.351 174.012 176.300 0.104 0.000 1.539 534 M CA -1.300 54.052 55.300 0.086 0.000 1.039 534 M CB -0.178 32.462 32.600 0.066 0.000 1.967 534 M HN 0.325 nan 8.290 nan 0.000 0.459 535 P HA 0.008 nan 4.420 nan 0.000 0.266 535 P C -0.067 177.178 177.300 -0.092 0.000 1.195 535 P CA -0.009 63.124 63.100 0.055 0.000 0.768 535 P CB 0.524 32.261 31.700 0.061 0.000 0.838 536 D N 1.865 122.197 120.400 -0.114 0.000 2.182 536 D HA -0.161 4.467 4.640 -0.019 0.000 0.201 536 D C 1.660 177.804 176.300 -0.260 0.000 0.986 536 D CA 1.094 55.018 54.000 -0.127 0.000 0.847 536 D CB -0.265 40.483 40.800 -0.087 0.000 0.942 536 D HN 0.402 nan 8.370 nan 0.000 0.467 537 I N -0.290 119.945 120.570 -0.558 0.000 2.454 537 I HA -0.259 3.900 4.170 -0.019 0.000 0.254 537 I C 1.426 177.091 176.117 -0.753 0.000 1.156 537 I CA 1.050 61.882 61.300 -0.780 0.000 1.433 537 I CB -0.028 37.155 38.000 -1.361 0.000 1.082 537 I HN -0.105 nan 8.210 nan 0.000 0.432 538 F N -0.838 118.854 119.950 -0.429 0.000 2.743 538 F HA 0.030 4.545 4.527 -0.019 0.000 0.297 538 F C 2.020 177.762 175.800 -0.097 0.000 1.131 538 F CA -0.119 57.616 58.000 -0.442 0.000 1.426 538 F CB -0.031 38.712 39.000 -0.427 0.000 1.116 538 F HN 0.029 nan 8.300 nan 0.000 0.583 539 M N -0.551 119.083 119.600 0.057 0.000 2.509 539 M HA 0.055 4.524 4.480 -0.019 0.000 0.250 539 M C 0.147 176.500 176.300 0.088 0.000 1.132 539 M CA 0.413 55.763 55.300 0.083 0.000 1.080 539 M CB -0.878 31.751 32.600 0.047 0.000 1.408 539 M HN -0.090 nan 8.290 nan 0.000 0.484 540 D N 1.036 121.480 120.400 0.073 0.000 2.472 540 D HA -0.029 4.600 4.640 -0.019 0.000 0.237 540 D C 0.923 177.308 176.300 0.141 0.000 1.141 540 D CA 0.690 54.755 54.000 0.108 0.000 0.875 540 D CB 1.211 42.053 40.800 0.070 0.000 1.192 540 D HN 0.076 nan 8.370 nan 0.000 0.450 541 T N 1.931 116.548 114.554 0.105 0.000 2.720 541 T HA -0.138 4.200 4.350 -0.019 0.000 0.268 541 T C 1.971 176.727 174.700 0.093 0.000 1.037 541 T CA 1.573 63.718 62.100 0.074 0.000 1.144 541 T CB -0.156 68.733 68.868 0.034 0.000 0.864 541 T HN 0.378 nan 8.240 nan 0.000 0.444 542 S N 0.215 115.985 115.700 0.117 0.000 2.383 542 S HA -0.122 4.337 4.470 -0.019 0.000 0.229 542 S C 1.672 176.393 174.600 0.202 0.000 1.030 542 S CA 1.085 59.356 58.200 0.119 0.000 1.002 542 S CB -0.488 62.753 63.200 0.068 0.000 0.829 542 S HN 0.623 nan 8.310 nan 0.000 0.467 543 Y N 1.882 122.272 120.300 0.149 0.000 2.200 543 Y HA -0.100 4.438 4.550 -0.019 0.000 0.290 543 Y C 2.443 178.407 175.900 0.107 0.000 1.137 543 Y CA 0.954 59.167 58.100 0.188 0.000 1.163 543 Y CB -0.450 38.101 38.460 0.152 0.000 0.988 543 Y HN 0.256 nan 8.280 nan 0.000 0.518 544 A N 0.483 123.349 122.820 0.077 0.000 1.877 544 A HA -0.197 4.112 4.320 -0.019 0.000 0.216 544 A C 2.186 179.720 177.584 -0.083 0.000 1.186 544 A CA 2.002 54.025 52.037 -0.023 0.000 0.620 544 A CB -1.073 17.942 19.000 0.024 0.000 0.822 544 A HN 0.574 nan 8.150 nan 0.000 0.443 545 I N -0.295 120.246 120.570 -0.048 0.000 2.179 545 I HA -0.272 3.886 4.170 -0.019 0.000 0.242 545 I C 2.945 178.997 176.117 -0.108 0.000 1.088 545 I CA 1.100 62.363 61.300 -0.062 0.000 1.357 545 I CB -0.406 37.584 38.000 -0.017 0.000 1.051 545 I HN 0.358 nan 8.210 nan 0.000 0.409 546 A N 0.432 123.193 122.820 -0.098 0.000 2.019 546 A HA -0.148 4.161 4.320 -0.019 0.000 0.219 546 A C 2.112 179.398 177.584 -0.497 0.000 1.164 546 A CA 1.388 53.348 52.037 -0.128 0.000 0.644 546 A CB -0.274 18.807 19.000 0.135 0.000 0.805 546 A HN 0.333 nan 8.150 nan 0.000 0.449 547 M N -0.554 118.708 119.600 -0.563 0.000 2.428 547 M HA 0.115 4.584 4.480 -0.019 0.000 0.239 547 M C 0.401 176.305 176.300 -0.660 0.000 1.121 547 M CA 0.347 55.221 55.300 -0.710 0.000 1.019 547 M CB -0.673 31.611 32.600 -0.525 0.000 1.485 547 M HN 0.451 nan 8.290 nan 0.000 0.484 548 H N 0.499 119.206 119.070 -0.605 0.000 2.746 548 H HA 0.249 4.793 4.556 -0.019 0.000 0.269 548 H C -1.352 173.774 175.328 -0.338 0.000 1.248 548 H CA -0.456 55.393 56.048 -0.331 0.000 1.258 548 H CB 0.022 29.671 29.762 -0.188 0.000 1.441 548 H HN -0.042 nan 8.280 nan 0.000 0.508 549 F N 4.751 124.622 119.950 -0.132 0.000 2.462 549 F HA 0.135 4.651 4.527 -0.019 0.000 0.354 549 F C 1.693 177.463 175.800 -0.051 0.000 1.192 549 F CA -0.456 57.520 58.000 -0.041 0.000 1.173 549 F CB 0.199 39.193 39.000 -0.010 0.000 1.402 549 F HN 0.507 nan 8.300 nan 0.000 0.595 550 N N 2.416 121.205 118.700 0.149 0.000 2.272 550 N HA -0.106 4.622 4.740 -0.019 0.000 0.185 550 N C 0.187 175.801 175.510 0.174 0.000 1.014 550 N CA 1.019 54.146 53.050 0.128 0.000 0.870 550 N CB 0.344 38.881 38.487 0.083 0.000 0.975 550 N HN 0.386 nan 8.380 nan 0.000 0.433 551 L N 0.507 121.830 121.223 0.166 0.000 2.343 551 L HA 0.254 4.583 4.340 -0.019 0.000 0.278 551 L C -0.462 176.546 176.870 0.230 0.000 0.996 551 L CA -0.377 54.577 54.840 0.190 0.000 0.831 551 L CB 2.115 44.214 42.059 0.067 0.000 1.232 551 L HN -0.191 nan 8.230 nan 0.000 0.413 552 S N 2.272 118.121 115.700 0.248 0.000 2.498 552 S HA 0.773 5.232 4.470 -0.019 0.000 0.317 552 S C -0.356 174.471 174.600 0.380 0.000 1.090 552 S CA -0.344 57.979 58.200 0.205 0.000 1.089 552 S CB 1.102 64.367 63.200 0.107 0.000 0.997 552 S HN 0.708 nan 8.310 nan 0.000 0.470 553 T N 0.916 115.694 114.554 0.374 0.000 2.865 553 T HA 0.887 5.225 4.350 -0.019 0.000 0.294 553 T C -0.719 174.212 174.700 0.385 0.000 1.119 553 T CA -0.487 61.889 62.100 0.459 0.000 1.007 553 T CB 1.516 70.618 68.868 0.391 0.000 1.225 553 T HN 1.173 nan 8.240 nan 0.000 0.515 554 S N 0.037 115.933 115.700 0.326 0.000 2.565 554 S HA 0.501 4.960 4.470 -0.019 0.000 0.274 554 S C -1.634 172.810 174.600 -0.261 0.000 1.144 554 S CA -0.969 57.294 58.200 0.105 0.000 0.849 554 S CB 1.767 65.071 63.200 0.173 0.000 1.103 554 S HN 1.103 nan 8.310 nan 0.000 0.455 555 Q N 1.035 120.614 119.800 -0.367 0.000 2.316 555 Q HA 0.677 5.005 4.340 -0.019 0.000 0.264 555 Q C -1.673 174.170 176.000 -0.262 0.000 0.987 555 Q CA -0.854 54.559 55.803 -0.651 0.000 0.852 555 Q CB 1.776 30.240 28.738 -0.456 0.000 1.287 555 Q HN 0.713 nan 8.270 nan 0.000 0.448 556 V N 5.996 125.777 119.914 -0.222 0.000 2.383 556 V HA 0.312 4.420 4.120 -0.019 0.000 0.264 556 V C -2.389 173.660 176.094 -0.075 0.000 1.001 556 V CA -1.489 60.755 62.300 -0.094 0.000 0.828 556 V CB 0.924 32.720 31.823 -0.046 0.000 1.069 556 V HN 0.755 nan 8.190 nan 0.000 0.451 557 P HA 0.541 nan 4.420 nan 0.000 0.271 557 P C -0.368 176.925 177.300 -0.011 0.000 1.216 557 P CA 0.281 63.365 63.100 -0.028 0.000 0.776 557 P CB 1.118 32.814 31.700 -0.007 0.000 0.881 558 A N 2.389 125.205 122.820 -0.006 0.000 2.594 558 A HA 0.374 4.682 4.320 -0.019 0.000 0.295 558 A C 0.534 178.128 177.584 0.016 0.000 1.071 558 A CA -0.616 51.426 52.037 0.008 0.000 0.685 558 A CB 1.225 20.229 19.000 0.006 0.000 1.285 558 A HN 0.378 nan 8.150 nan 0.000 0.405 559 K N 0.013 120.430 120.400 0.028 0.000 2.167 559 K HA 0.039 4.348 4.320 -0.019 0.000 0.203 559 K C 0.221 176.846 176.600 0.041 0.000 1.052 559 K CA 1.192 57.500 56.287 0.034 0.000 0.956 559 K CB -0.051 32.473 32.500 0.040 0.000 0.735 559 K HN 0.722 nan 8.250 nan 0.000 0.451 560 T N 1.845 116.425 114.554 0.043 0.000 2.901 560 T HA -0.023 4.315 4.350 -0.019 0.000 0.301 560 T C -0.058 174.679 174.700 0.062 0.000 1.012 560 T CA -0.127 62.006 62.100 0.055 0.000 1.135 560 T CB 0.882 69.785 68.868 0.057 0.000 0.936 560 T HN 0.026 nan 8.240 nan 0.000 0.539 561 D N 2.570 123.019 120.400 0.083 0.000 2.671 561 D HA 0.150 4.779 4.640 -0.019 0.000 0.228 561 D C 0.383 176.746 176.300 0.105 0.000 1.102 561 D CA -0.552 53.518 54.000 0.116 0.000 1.044 561 D CB -0.916 39.977 40.800 0.156 0.000 1.113 561 D HN 0.604 nan 8.370 nan 0.000 0.480 562 C N -0.309 119.041 119.300 0.083 0.000 2.710 562 C HA 0.915 5.363 4.460 -0.019 0.000 0.367 562 C C -0.070 174.972 174.990 0.086 0.000 1.315 562 C CA -0.890 58.180 59.018 0.087 0.000 1.764 562 C CB 1.354 29.136 27.740 0.070 0.000 2.182 562 C HN 0.197 nan 8.230 nan 0.000 0.491 563 V N 0.852 120.833 119.914 0.112 0.000 3.048 563 V HA 0.607 4.715 4.120 -0.019 0.000 0.303 563 V C -1.024 175.154 176.094 0.140 0.000 1.214 563 V CA -0.451 61.928 62.300 0.131 0.000 0.984 563 V CB 2.199 34.130 31.823 0.179 0.000 1.054 563 V HN 1.056 nan 8.190 nan 0.000 0.430 564 M N 5.354 124.998 119.600 0.073 0.000 2.762 564 M HA 0.787 5.255 4.480 -0.019 0.000 0.306 564 M C -1.235 175.062 176.300 -0.004 0.000 1.223 564 M CA -0.539 54.678 55.300 -0.137 0.000 0.896 564 M CB 2.140 34.695 32.600 -0.076 0.000 1.684 564 M HN 0.689 nan 8.290 nan 0.000 0.491 565 F N -0.220 119.731 119.950 0.001 0.000 2.713 565 F HA 0.853 5.369 4.527 -0.019 0.000 0.311 565 F C -1.435 174.345 175.800 -0.034 0.000 1.141 565 F CA -1.510 56.388 58.000 -0.170 0.000 0.939 565 F CB 1.143 40.060 39.000 -0.137 0.000 1.325 565 F HN 0.553 nan 8.300 nan 0.000 0.453 566 F N -1.209 118.867 119.950 0.210 0.000 2.741 566 F HA 0.872 5.388 4.527 -0.018 0.000 0.311 566 F C -0.231 175.642 175.800 0.122 0.000 1.149 566 F CA -1.743 56.329 58.000 0.120 0.000 0.930 566 F CB 0.809 39.852 39.000 0.072 0.000 1.312 566 F HN 0.845 nan 8.300 nan 0.000 0.450 567 G N 0.427 109.444 108.800 0.362 0.000 2.572 567 G HA2 0.582 4.531 3.960 -0.019 0.000 0.261 567 G HA3 0.582 4.531 3.960 -0.019 0.000 0.261 567 G C -2.985 172.098 174.900 0.305 0.000 1.197 567 G CA -1.784 43.448 45.100 0.221 0.000 0.870 567 G HN 0.501 nan 8.290 nan 0.000 0.548 568 P HA 0.070 nan 4.420 nan 0.000 0.269 568 P C 1.147 178.622 177.300 0.291 0.000 1.217 568 P CA -0.220 62.958 63.100 0.129 0.000 0.783 568 P CB 0.908 32.535 31.700 -0.122 0.000 0.898 569 V N -0.138 119.879 119.914 0.172 0.000 3.608 569 V HA 0.111 4.219 4.120 -0.019 0.000 0.269 569 V C 0.563 176.677 176.094 0.033 0.000 1.245 569 V CA 0.557 62.901 62.300 0.074 0.000 1.138 569 V CB -0.653 31.125 31.823 -0.075 0.000 0.841 569 V HN 0.336 nan 8.190 nan 0.000 0.451 570 V N -5.499 114.449 119.914 0.056 0.000 2.962 570 V HA 0.643 4.751 4.120 -0.019 0.000 0.313 570 V C -2.061 174.126 176.094 0.155 0.000 1.099 570 V CA -1.936 60.340 62.300 -0.040 0.000 0.971 570 V CB 1.326 32.892 31.823 -0.430 0.000 1.028 570 V HN -0.017 nan 8.190 nan 0.000 0.430 571 P HA -0.104 nan 4.420 nan 0.000 0.218 571 P C 0.414 177.835 177.300 0.200 0.000 1.148 571 P CA 1.836 65.014 63.100 0.130 0.000 0.822 571 P CB 0.009 31.718 31.700 0.015 0.000 0.784 572 D N -1.498 118.986 120.400 0.141 0.000 2.615 572 D HA 0.213 4.841 4.640 -0.019 0.000 0.236 572 D C 0.710 177.019 176.300 0.016 0.000 1.233 572 D CA -0.361 53.687 54.000 0.080 0.000 0.829 572 D CB -0.367 40.493 40.800 0.100 0.000 1.024 572 D HN 0.010 nan 8.370 nan 0.000 0.490 573 G N -0.800 107.999 108.800 -0.002 0.000 2.735 573 G HA2 0.563 4.511 3.960 -0.019 0.000 0.301 573 G HA3 0.563 4.511 3.960 -0.019 0.000 0.301 573 G C -1.565 173.209 174.900 -0.209 0.000 1.279 573 G CA -0.808 44.272 45.100 -0.034 0.000 1.019 573 G HN 0.081 nan 8.290 nan 0.000 0.497 574 Y N -1.285 119.059 120.300 0.074 0.000 2.485 574 Y HA 0.593 5.131 4.550 -0.020 0.000 0.345 574 Y C 0.682 176.631 175.900 0.082 0.000 0.998 574 Y CA -0.550 57.578 58.100 0.047 0.000 1.059 574 Y CB 2.741 41.254 38.460 0.089 0.000 1.234 574 Y HN 0.685 nan 8.280 nan 0.000 0.461 575 G N 3.150 112.067 108.800 0.196 0.000 2.502 575 G HA2 0.667 4.616 3.960 -0.019 0.000 0.311 575 G HA3 0.667 4.616 3.960 -0.019 0.000 0.311 575 G C -1.259 173.594 174.900 -0.078 0.000 1.270 575 G CA -0.461 44.731 45.100 0.154 0.000 0.948 575 G HN 0.532 nan 8.290 nan 0.000 0.487 576 I N 1.560 122.149 120.570 0.031 0.000 2.466 576 I HA 0.413 4.572 4.170 -0.019 0.000 0.289 576 I C -0.560 175.647 176.117 0.150 0.000 1.026 576 I CA -0.734 60.609 61.300 0.072 0.000 1.078 576 I CB 2.255 40.378 38.000 0.205 0.000 1.249 576 I HN 0.434 nan 8.210 nan 0.000 0.429 577 C N 6.827 126.195 119.300 0.113 0.000 2.802 577 C HA 0.857 5.306 4.460 -0.019 0.000 0.307 577 C C -1.358 173.801 174.990 0.282 0.000 1.222 577 C CA -0.398 58.717 59.018 0.162 0.000 1.580 577 C CB 1.580 29.333 27.740 0.022 0.000 2.119 577 C HN 0.749 nan 8.230 nan 0.000 0.479 578 Y N 2.002 122.328 120.300 0.043 0.000 2.609 578 Y HA 0.620 5.159 4.550 -0.020 0.000 0.336 578 Y C -0.917 174.902 175.900 -0.135 0.000 1.129 578 Y CA -1.242 56.766 58.100 -0.152 0.000 1.040 578 Y CB 0.831 38.998 38.460 -0.490 0.000 1.310 578 Y HN 0.544 nan 8.280 nan 0.000 0.460 579 N N 2.353 121.011 118.700 -0.068 0.000 2.569 579 N HA 0.490 5.218 4.740 -0.019 0.000 0.254 579 N C -3.329 172.129 175.510 -0.087 0.000 1.004 579 N CA -2.591 50.416 53.050 -0.072 0.000 0.904 579 N CB 1.651 40.111 38.487 -0.044 0.000 1.165 579 N HN 0.372 nan 8.380 nan 0.000 0.513 580 P HA 0.181 nan 4.420 nan 0.000 0.274 580 P C -0.086 177.167 177.300 -0.078 0.000 1.291 580 P CA -0.056 63.027 63.100 -0.028 0.000 0.815 580 P CB 0.372 32.120 31.700 0.079 0.000 0.897 581 M N 1.818 121.303 119.600 -0.191 0.000 2.336 581 M HA 0.217 4.685 4.480 -0.019 0.000 0.256 581 M C 1.741 177.984 176.300 -0.096 0.000 1.176 581 M CA -0.559 54.606 55.300 -0.224 0.000 0.948 581 M CB 0.225 32.464 32.600 -0.602 0.000 1.393 581 M HN 0.181 nan 8.290 nan 0.000 0.528 582 E N 1.158 121.340 120.200 -0.030 0.000 2.047 582 E HA -0.017 4.322 4.350 -0.019 0.000 0.191 582 E C 1.311 177.977 176.600 0.110 0.000 0.987 582 E CA 2.113 58.542 56.400 0.048 0.000 0.799 582 E CB 0.036 29.772 29.700 0.060 0.000 0.752 582 E HN 0.698 nan 8.360 nan 0.000 0.449 583 A N -0.185 122.730 122.820 0.158 0.000 2.390 583 A HA 0.195 4.503 4.320 -0.019 0.000 0.232 583 A C 0.086 177.861 177.584 0.318 0.000 1.233 583 A CA 0.225 52.405 52.037 0.238 0.000 0.907 583 A CB -0.287 18.844 19.000 0.218 0.000 0.967 583 A HN 0.507 nan 8.150 nan 0.000 0.512 584 H N -2.370 116.780 119.070 0.133 0.000 2.948 584 H HA 0.666 5.212 4.556 -0.018 0.000 0.315 584 H C -1.955 173.448 175.328 0.125 0.000 1.360 584 H CA -1.368 54.760 56.048 0.133 0.000 1.125 584 H CB 0.600 30.418 29.762 0.094 0.000 1.844 584 H HN 0.003 nan 8.280 nan 0.000 0.529 585 I N 1.365 122.034 120.570 0.164 0.000 2.569 585 I HA 0.238 4.396 4.170 -0.019 0.000 0.290 585 I C -0.716 175.389 176.117 -0.020 0.000 1.088 585 I CA -0.589 60.663 61.300 -0.081 0.000 1.047 585 I CB 2.110 39.964 38.000 -0.242 0.000 1.237 585 I HN 0.444 nan 8.210 nan 0.000 0.421 586 N N 5.648 124.289 118.700 -0.099 0.000 2.419 586 N HA 0.535 5.263 4.740 -0.019 0.000 0.264 586 N C -1.370 174.084 175.510 -0.092 0.000 1.031 586 N CA -0.366 52.704 53.050 0.034 0.000 0.951 586 N CB 1.097 39.634 38.487 0.082 0.000 1.101 586 N HN 0.271 nan 8.380 nan 0.000 0.488 587 F N 0.684 120.735 119.950 0.168 0.000 2.522 587 F HA 0.483 4.997 4.527 -0.020 0.000 0.324 587 F C 0.443 176.308 175.800 0.108 0.000 1.077 587 F CA -0.765 57.325 58.000 0.150 0.000 0.944 587 F CB 1.841 40.898 39.000 0.096 0.000 1.175 587 F HN 0.302 nan 8.300 nan 0.000 0.468 588 S N 1.169 117.057 115.700 0.314 0.000 2.538 588 S HA 0.895 5.353 4.470 -0.019 0.000 0.288 588 S C -1.570 173.086 174.600 0.093 0.000 1.108 588 S CA -0.707 57.580 58.200 0.145 0.000 0.971 588 S CB 1.629 64.920 63.200 0.153 0.000 1.041 588 S HN 0.382 nan 8.310 nan 0.000 0.483 589 V N 2.802 122.734 119.914 0.029 0.000 2.569 589 V HA 0.737 4.846 4.120 -0.019 0.000 0.301 589 V C -0.148 175.955 176.094 0.014 0.000 1.044 589 V CA -0.517 61.800 62.300 0.029 0.000 0.874 589 V CB 1.615 33.452 31.823 0.024 0.000 1.002 589 V HN 1.152 nan 8.190 nan 0.000 0.424 590 S N 3.257 118.965 115.700 0.013 0.000 2.607 590 S HA 1.020 5.478 4.470 -0.019 0.000 0.303 590 S C -0.389 174.172 174.600 -0.065 0.000 1.086 590 S CA -0.215 57.956 58.200 -0.048 0.000 0.995 590 S CB 2.573 65.710 63.200 -0.106 0.000 1.084 590 S HN 1.662 nan 8.310 nan 0.000 0.507 591 A N 0.505 123.195 122.820 -0.217 0.000 2.586 591 A HA 0.697 5.005 4.320 -0.019 0.000 0.290 591 A C -2.289 175.057 177.584 -0.397 0.000 1.086 591 A CA -0.844 50.973 52.037 -0.367 0.000 0.665 591 A CB 0.585 19.436 19.000 -0.249 0.000 1.279 591 A HN 0.734 nan 8.150 nan 0.000 0.423 592 Y N 1.298 121.567 120.300 -0.051 0.000 2.341 592 Y HA 0.341 4.879 4.550 -0.019 0.000 0.337 592 Y C 1.330 177.218 175.900 -0.020 0.000 1.014 592 Y CA -1.185 56.909 58.100 -0.009 0.000 1.111 592 Y CB 1.457 39.922 38.460 0.008 0.000 1.194 592 Y HN 0.707 nan 8.280 nan 0.000 0.462 593 N N 0.494 119.288 118.700 0.156 0.000 2.381 593 N HA -0.133 4.595 4.740 -0.019 0.000 0.182 593 N C 1.612 177.166 175.510 0.074 0.000 1.025 593 N CA 1.241 54.341 53.050 0.084 0.000 0.888 593 N CB -0.087 38.437 38.487 0.062 0.000 0.965 593 N HN 0.659 nan 8.380 nan 0.000 0.438 594 S N -0.785 114.968 115.700 0.088 0.000 2.507 594 S HA -0.044 4.414 4.470 -0.019 0.000 0.235 594 S C 1.151 175.778 174.600 0.045 0.000 0.988 594 S CA -0.118 58.110 58.200 0.047 0.000 0.944 594 S CB -0.512 62.696 63.200 0.014 0.000 0.762 594 S HN 0.340 nan 8.310 nan 0.000 0.526 595 C N 2.029 121.368 119.300 0.065 0.000 2.264 595 C HA 0.831 5.280 4.460 -0.019 0.000 0.322 595 C C 1.553 176.568 174.990 0.041 0.000 1.210 595 C CA -0.541 58.507 59.018 0.049 0.000 1.539 595 C CB -0.305 27.468 27.740 0.055 0.000 2.167 595 C HN 0.544 nan 8.230 nan 0.000 0.463 596 A N 3.441 126.284 122.820 0.038 0.000 2.121 596 A HA -0.042 4.266 4.320 -0.019 0.000 0.218 596 A C 1.822 179.438 177.584 0.053 0.000 1.154 596 A CA 1.389 53.449 52.037 0.039 0.000 0.679 596 A CB -0.246 18.772 19.000 0.031 0.000 0.795 596 A HN 0.871 nan 8.150 nan 0.000 0.458 597 E N 0.045 120.286 120.200 0.068 0.000 2.418 597 E HA -0.001 4.338 4.350 -0.019 0.000 0.197 597 E C 0.755 177.468 176.600 0.189 0.000 1.026 597 E CA 0.989 57.466 56.400 0.128 0.000 0.862 597 E CB -0.108 29.669 29.700 0.129 0.000 0.799 597 E HN 0.722 nan 8.360 nan 0.000 0.518 598 T N -1.729 112.874 114.554 0.081 0.000 2.887 598 T HA 0.541 4.879 4.350 -0.019 0.000 0.288 598 T C -0.493 174.248 174.700 0.069 0.000 1.021 598 T CA -1.043 61.080 62.100 0.037 0.000 1.000 598 T CB 1.783 70.405 68.868 -0.411 0.000 1.034 598 T HN -0.073 nan 8.240 nan 0.000 0.467 599 N N 0.541 119.376 118.700 0.226 0.000 2.572 599 N HA 0.329 5.057 4.740 -0.019 0.000 0.287 599 N C 0.825 176.502 175.510 0.278 0.000 1.136 599 N CA -0.177 52.976 53.050 0.172 0.000 0.900 599 N CB 2.014 40.562 38.487 0.102 0.000 1.484 599 N HN 0.797 nan 8.380 nan 0.000 0.526 600 A N 3.302 126.249 122.820 0.212 0.000 1.908 600 A HA -0.081 4.228 4.320 -0.019 0.000 0.218 600 A C 2.081 179.669 177.584 0.006 0.000 1.181 600 A CA 2.224 54.365 52.037 0.173 0.000 0.627 600 A CB -0.574 18.474 19.000 0.082 0.000 0.818 600 A HN 0.750 nan 8.150 nan 0.000 0.445 601 A N -0.502 122.280 122.820 -0.062 0.000 1.902 601 A HA -0.176 4.132 4.320 -0.019 0.000 0.217 601 A C 2.274 179.598 177.584 -0.434 0.000 1.181 601 A CA 1.790 53.671 52.037 -0.261 0.000 0.623 601 A CB -0.492 18.392 19.000 -0.193 0.000 0.818 601 A HN 0.561 nan 8.150 nan 0.000 0.443 602 R N -1.488 118.926 120.500 -0.143 0.000 2.075 602 R HA -0.144 4.185 4.340 -0.019 0.000 0.232 602 R C 2.166 178.507 176.300 0.069 0.000 1.126 602 R CA 1.873 57.985 56.100 0.020 0.000 0.963 602 R CB -0.316 30.027 30.300 0.072 0.000 0.858 602 R HN 0.465 nan 8.270 nan 0.000 0.435 603 M N 0.616 120.190 119.600 -0.044 0.000 2.080 603 M HA -0.083 4.385 4.480 -0.019 0.000 0.260 603 M C 2.015 178.261 176.300 -0.089 0.000 1.068 603 M CA 2.062 57.265 55.300 -0.163 0.000 1.109 603 M CB -0.445 31.847 32.600 -0.512 0.000 1.342 603 M HN 0.215 nan 8.290 nan 0.000 0.405 604 A N -1.104 121.650 122.820 -0.110 0.000 1.902 604 A HA -0.217 4.092 4.320 -0.019 0.000 0.217 604 A C 2.030 179.634 177.584 0.034 0.000 1.181 604 A CA 2.097 54.077 52.037 -0.095 0.000 0.623 604 A CB -1.390 17.554 19.000 -0.093 0.000 0.818 604 A HN 0.795 nan 8.150 nan 0.000 0.443 605 H N -3.060 116.037 119.070 0.045 0.000 2.321 605 H HA -0.156 4.388 4.556 -0.020 0.000 0.300 605 H C 1.973 177.300 175.328 -0.002 0.000 1.087 605 H CA 1.663 57.729 56.048 0.031 0.000 1.319 605 H CB -0.150 29.634 29.762 0.037 0.000 1.379 605 H HN 0.605 nan 8.280 nan 0.000 0.501 606 Y N 0.202 120.537 120.300 0.057 0.000 2.242 606 Y HA -0.178 4.360 4.550 -0.019 0.000 0.291 606 Y C 2.410 178.285 175.900 -0.041 0.000 1.137 606 Y CA 0.705 58.801 58.100 -0.006 0.000 1.181 606 Y CB -0.211 38.222 38.460 -0.045 0.000 0.989 606 Y HN 0.160 nan 8.280 nan 0.000 0.527 607 L N 0.548 121.797 121.223 0.044 0.000 2.017 607 L HA -0.185 4.143 4.340 -0.019 0.000 0.208 607 L C 2.290 179.076 176.870 -0.140 0.000 1.073 607 L CA 2.052 56.818 54.840 -0.124 0.000 0.745 607 L CB -0.887 40.978 42.059 -0.322 0.000 0.894 607 L HN 0.320 nan 8.230 nan 0.000 0.432 608 E N -0.536 119.639 120.200 -0.042 0.000 2.058 608 E HA -0.327 4.012 4.350 -0.019 0.000 0.194 608 E C 2.152 178.849 176.600 0.161 0.000 0.997 608 E CA 1.474 57.975 56.400 0.168 0.000 0.801 608 E CB -0.082 29.784 29.700 0.277 0.000 0.746 608 E HN 0.336 nan 8.360 nan 0.000 0.450 609 K N 0.545 120.971 120.400 0.044 0.000 2.097 609 K HA -0.032 4.276 4.320 -0.019 0.000 0.205 609 K C 1.744 178.361 176.600 0.028 0.000 1.050 609 K CA 1.326 57.608 56.287 -0.009 0.000 0.938 609 K CB -0.428 32.002 32.500 -0.116 0.000 0.718 609 K HN 0.222 nan 8.250 nan 0.000 0.442 610 A N 0.518 123.359 122.820 0.034 0.000 1.898 610 A HA -0.083 4.225 4.320 -0.019 0.000 0.216 610 A C 2.174 179.809 177.584 0.086 0.000 1.181 610 A CA 1.486 53.554 52.037 0.053 0.000 0.620 610 A CB -0.682 18.343 19.000 0.042 0.000 0.819 610 A HN 0.296 nan 8.150 nan 0.000 0.442 611 L N -0.611 120.664 121.223 0.085 0.000 2.046 611 L HA -0.193 4.135 4.340 -0.019 0.000 0.208 611 L C 2.566 179.737 176.870 0.502 0.000 1.077 611 L CA 1.123 56.120 54.840 0.262 0.000 0.747 611 L CB -0.520 41.490 42.059 -0.082 0.000 0.896 611 L HN 0.372 nan 8.230 nan 0.000 0.432 612 L N -0.702 120.730 121.223 0.349 0.000 2.056 612 L HA -0.204 4.125 4.340 -0.019 0.000 0.207 612 L C 2.181 179.144 176.870 0.155 0.000 1.078 612 L CA 1.000 55.989 54.840 0.249 0.000 0.749 612 L CB -0.604 41.465 42.059 0.017 0.000 0.901 612 L HN 0.256 nan 8.230 nan 0.000 0.433 613 D N -0.277 120.196 120.400 0.122 0.000 2.178 613 D HA -0.162 4.466 4.640 -0.019 0.000 0.202 613 D C 2.295 178.687 176.300 0.154 0.000 0.974 613 D CA 1.269 55.329 54.000 0.100 0.000 0.841 613 D CB -0.043 40.800 40.800 0.072 0.000 0.953 613 D HN 0.300 nan 8.370 nan 0.000 0.478 614 M N -0.260 119.463 119.600 0.204 0.000 2.200 614 M HA -0.069 4.399 4.480 -0.019 0.000 0.265 614 M C 2.271 178.788 176.300 0.362 0.000 1.066 614 M CA 0.897 56.340 55.300 0.239 0.000 1.127 614 M CB 0.051 32.657 32.600 0.010 0.000 1.379 614 M HN -0.113 nan 8.290 nan 0.000 0.420 615 R N -0.110 120.580 120.500 0.316 0.000 2.066 615 R HA -0.121 4.208 4.340 -0.019 0.000 0.232 615 R C 1.921 178.196 176.300 -0.040 0.000 1.131 615 R CA 2.020 58.068 56.100 -0.085 0.000 0.955 615 R CB -0.325 29.569 30.300 -0.676 0.000 0.851 615 R HN 0.233 nan 8.270 nan 0.000 0.432 616 T N 1.970 116.528 114.554 0.005 0.000 2.684 616 T HA -0.184 4.154 4.350 -0.019 0.000 0.267 616 T C 1.706 176.454 174.700 0.080 0.000 1.036 616 T CA 1.445 63.553 62.100 0.014 0.000 1.148 616 T CB -0.314 68.565 68.868 0.018 0.000 0.863 616 T HN 0.175 nan 8.240 nan 0.000 0.436 617 L N 0.917 122.228 121.223 0.146 0.000 1.989 617 L HA -0.046 4.283 4.340 -0.019 0.000 0.211 617 L C 2.221 179.250 176.870 0.266 0.000 1.071 617 L CA 1.678 56.648 54.840 0.218 0.000 0.749 617 L CB -0.690 41.507 42.059 0.229 0.000 0.890 617 L HN 0.260 nan 8.230 nan 0.000 0.431 618 L N -1.150 120.232 121.223 0.266 0.000 2.046 618 L HA -0.239 4.089 4.340 -0.019 0.000 0.208 618 L C 2.633 179.636 176.870 0.221 0.000 1.077 618 L CA 1.461 56.467 54.840 0.278 0.000 0.747 618 L CB -0.626 41.663 42.059 0.383 0.000 0.896 618 L HN 0.400 nan 8.230 nan 0.000 0.432 619 Q N -0.136 119.773 119.800 0.181 0.000 2.224 619 Q HA -0.152 4.176 4.340 -0.019 0.000 0.203 619 Q C 1.480 177.485 176.000 0.009 0.000 0.970 619 Q CA 1.174 57.034 55.803 0.096 0.000 0.865 619 Q CB -0.147 28.609 28.738 0.031 0.000 0.922 619 Q HN 0.612 nan 8.270 nan 0.000 0.445 620 N N -0.285 118.387 118.700 -0.045 0.000 2.461 620 N HA -0.041 4.688 4.740 -0.019 0.000 0.188 620 N C -0.395 174.776 175.510 -0.566 0.000 1.134 620 N CA 0.094 52.988 53.050 -0.259 0.000 0.878 620 N CB 0.393 38.711 38.487 -0.281 0.000 0.972 620 N HN 0.174 nan 8.380 nan 0.000 0.456 621 H N -0.167 118.936 119.070 0.054 0.000 2.514 621 H HA 0.259 4.804 4.556 -0.019 0.000 0.226 621 H C -2.498 172.856 175.328 0.044 0.000 1.421 621 H CA -1.400 54.676 56.048 0.047 0.000 1.394 621 H CB 0.582 30.374 29.762 0.050 0.000 1.701 621 H HN 0.081 nan 8.280 nan 0.000 0.515 622 P HA 0.133 nan 4.420 nan 0.000 0.270 622 P C 1.076 178.418 177.300 0.070 0.000 1.223 622 P CA -0.075 63.067 63.100 0.070 0.000 0.785 622 P CB 1.871 33.595 31.700 0.040 0.000 0.923 623 R N 1.036 121.565 120.500 0.047 0.000 2.024 623 R HA 0.246 4.575 4.340 -0.019 0.000 0.216 623 R C 1.305 177.621 176.300 0.028 0.000 1.259 623 R CA 0.524 56.647 56.100 0.037 0.000 1.001 623 R CB -0.841 29.474 30.300 0.024 0.000 0.881 623 R HN 0.528 nan 8.270 nan 0.000 0.459 624 A N 1.664 124.495 122.820 0.019 0.000 2.311 624 A HA 0.207 4.515 4.320 -0.019 0.000 0.269 624 A C 0.113 177.707 177.584 0.017 0.000 1.514 624 A CA -0.015 52.031 52.037 0.015 0.000 0.827 624 A CB -0.134 18.871 19.000 0.009 0.000 1.358 624 A HN 0.308 nan 8.150 nan 0.000 0.549 625 K N 0.000 120.408 120.400 0.013 0.000 2.780 625 K HA 0.000 4.308 4.320 -0.019 0.000 0.191 625 K CA 0.000 56.294 56.287 0.012 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