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 1t7q_1_A DATA FIRST_RESID 27 DATA SEQUENCE SHMAHQDALP RLPVPPLQQS LDYYLKALQP IVSEEEWAHT KQLVDEFQTS DATA SEQUENCE GGVGERLQKG LERRAKKMEN WLSEWWLKTA YLQFRQPVVI YSSPGVILPK DATA SEQUENCE QDFVDLQGQL RFAAKLIEGV LDFKSMIDNE TLPVEFLGGQ PLCMNQYYQI DATA SEQUENCE LSSCRVPGPK QDSVVNFLKS KRPPTHITVV HNYQFFELDV YHSDGTPLTS DATA SEQUENCE DQIFVQLEKI WNSSLQSNKE PVGILTSNHR NTWAKAYNNL IKDKVNRESV DATA SEQUENCE NSIQKSIFTV CLDKQVPRVS DDVYRNHVAG QMLHGGGSKF NSGNRWFDKT DATA SEQUENCE LQFIVAEDGS CGMVYEHAAA EGPPIVALVD HVMEYTKKPE LVRSPMVPLP DATA SEQUENCE MPKKLRFNIT PEIKNDIEKA KQNLSIMIQD LDIMMLTFHH FGKDFPKSEK DATA SEQUENCE LSPDAFIQVA LQLAYYRIYG QACATYESAS LRMFHLGRTD TIRSASIDSL DATA SEQUENCE AFVKGMGDST VPEQQKVELL RKAVQAHRAY TDRAIRGEAF DRHLLGLKLQ DATA SEQUENCE AIEDLVSMPD IFMDTSYAIA MHFNLSTSQV PAKTDCVMAF 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 0.000 174.654 174.600 0.090 0.000 1.055 27 S CA 0.000 58.229 58.200 0.048 0.000 1.107 27 S CB 0.000 63.216 63.200 0.027 0.000 0.593 28 H N 1.000 120.056 119.070 -0.024 0.000 2.290 28 H HA -0.116 4.442 4.556 0.003 0.000 0.298 28 H C 1.567 176.889 175.328 -0.010 0.000 1.087 28 H CA 2.315 58.344 56.048 -0.031 0.000 1.291 28 H CB -0.112 29.522 29.762 -0.213 0.000 1.369 28 H HN 0.525 nan 8.280 nan 0.000 0.492 29 M N 0.758 120.255 119.600 -0.172 0.000 2.106 29 M HA -0.179 4.303 4.480 0.003 0.000 0.259 29 M C 2.778 178.982 176.300 -0.160 0.000 1.068 29 M CA 1.429 56.590 55.300 -0.231 0.000 1.100 29 M CB -1.425 31.098 32.600 -0.129 0.000 1.351 29 M HN 0.442 nan 8.290 nan 0.000 0.404 30 A N -1.008 121.772 122.820 -0.067 0.000 1.908 30 A HA -0.236 4.086 4.320 0.003 0.000 0.218 30 A C 2.025 179.596 177.584 -0.021 0.000 1.181 30 A CA 2.311 54.326 52.037 -0.037 0.000 0.627 30 A CB -1.085 17.917 19.000 0.003 0.000 0.818 30 A HN 0.630 nan 8.150 nan 0.000 0.445 31 H N -0.582 118.440 119.070 -0.081 0.000 2.326 31 H HA -0.077 4.481 4.556 0.003 0.000 0.301 31 H C 2.122 177.393 175.328 -0.095 0.000 1.081 31 H CA 2.015 58.029 56.048 -0.058 0.000 1.334 31 H CB -0.077 29.686 29.762 0.001 0.000 1.385 31 H HN 0.364 nan 8.280 nan 0.000 0.504 32 Q N 0.420 120.025 119.800 -0.325 0.000 2.084 32 Q HA -0.120 4.221 4.340 0.003 0.000 0.202 32 Q C 1.761 177.508 176.000 -0.421 0.000 0.978 32 Q CA 1.353 56.923 55.803 -0.388 0.000 0.844 32 Q CB -0.171 28.352 28.738 -0.359 0.000 0.898 32 Q HN 0.654 nan 8.270 nan 0.000 0.426 33 D N 0.483 120.684 120.400 -0.331 0.000 2.218 33 D HA -0.085 4.556 4.640 0.003 0.000 0.204 33 D C 1.406 177.581 176.300 -0.208 0.000 0.976 33 D CA 1.146 54.977 54.000 -0.281 0.000 0.853 33 D CB 0.073 40.762 40.800 -0.185 0.000 0.939 33 D HN 0.224 nan 8.370 nan 0.000 0.481 34 A N 0.176 122.886 122.820 -0.182 0.000 2.208 34 A HA 0.106 4.428 4.320 0.003 0.000 0.209 34 A C 1.104 178.614 177.584 -0.125 0.000 1.161 34 A CA -0.032 51.933 52.037 -0.119 0.000 0.782 34 A CB -0.160 18.798 19.000 -0.070 0.000 0.816 34 A HN 0.124 nan 8.150 nan 0.000 0.477 35 L N 1.763 122.875 121.223 -0.186 0.000 2.371 35 L HA 0.278 4.619 4.340 0.003 0.000 0.272 35 L C -1.916 174.941 176.870 -0.022 0.000 1.124 35 L CA -2.075 52.690 54.840 -0.126 0.000 0.816 35 L CB 0.764 42.735 42.059 -0.147 0.000 1.129 35 L HN 0.123 nan 8.230 nan 0.000 0.448 36 P HA 0.126 nan 4.420 nan 0.000 0.272 36 P C -0.881 176.595 177.300 0.293 0.000 1.223 36 P CA -0.519 62.673 63.100 0.154 0.000 0.784 36 P CB 0.777 32.589 31.700 0.186 0.000 0.923 37 R N 0.988 121.634 120.500 0.243 0.000 2.459 37 R HA 0.358 4.699 4.340 0.003 0.000 0.281 37 R C -0.181 176.198 176.300 0.131 0.000 1.050 37 R CA -1.176 55.049 56.100 0.209 0.000 1.055 37 R CB -0.568 29.808 30.300 0.127 0.000 1.045 37 R HN 0.421 nan 8.270 nan 0.000 0.495 38 L N 5.584 126.794 121.223 -0.022 0.000 2.584 38 L HA 0.133 4.475 4.340 0.003 0.000 0.272 38 L C -1.917 174.857 176.870 -0.159 0.000 1.195 38 L CA -0.442 54.161 54.840 -0.394 0.000 0.920 38 L CB 0.110 41.949 42.059 -0.366 0.000 1.173 38 L HN 0.570 nan 8.230 nan 0.000 0.489 39 P HA 0.192 nan 4.420 nan 0.000 0.278 39 P C -1.358 175.975 177.300 0.054 0.000 1.266 39 P CA -0.472 62.576 63.100 -0.086 0.000 0.807 39 P CB 1.405 33.022 31.700 -0.137 0.000 1.094 40 V N 2.433 122.281 119.914 -0.109 0.000 2.357 40 V HA 0.273 4.394 4.120 0.003 0.000 0.284 40 V C -2.052 173.855 176.094 -0.312 0.000 1.018 40 V CA -1.756 60.337 62.300 -0.346 0.000 0.841 40 V CB 0.770 32.280 31.823 -0.522 0.000 0.991 40 V HN 0.558 nan 8.190 nan 0.000 0.437 41 P HA 0.248 nan 4.420 nan 0.000 0.270 41 P C -2.678 174.564 177.300 -0.096 0.000 1.223 41 P CA -1.269 61.729 63.100 -0.170 0.000 0.785 41 P CB -0.105 31.594 31.700 -0.003 0.000 0.923 42 P HA -0.003 nan 4.420 nan 0.000 0.268 42 P C 0.741 178.155 177.300 0.191 0.000 1.205 42 P CA -0.149 62.993 63.100 0.071 0.000 0.771 42 P CB 0.351 32.076 31.700 0.041 0.000 0.858 43 L N 4.291 125.612 121.223 0.163 0.000 1.970 43 L HA -0.248 4.093 4.340 0.003 0.000 0.212 43 L C 2.085 178.993 176.870 0.063 0.000 1.071 43 L CA 2.060 56.987 54.840 0.145 0.000 0.751 43 L CB -1.290 40.787 42.059 0.031 0.000 0.889 43 L HN 0.382 nan 8.230 nan 0.000 0.432 44 Q N -1.033 118.775 119.800 0.014 0.000 2.181 44 Q HA -0.287 4.055 4.340 0.003 0.000 0.205 44 Q C 2.220 178.188 176.000 -0.053 0.000 0.980 44 Q CA 1.861 57.650 55.803 -0.023 0.000 0.862 44 Q CB -0.263 28.453 28.738 -0.038 0.000 0.905 44 Q HN 0.705 nan 8.270 nan 0.000 0.429 45 Q N 0.241 120.017 119.800 -0.039 0.000 2.020 45 Q HA -0.176 4.166 4.340 0.003 0.000 0.202 45 Q C 2.027 177.952 176.000 -0.125 0.000 0.982 45 Q CA 1.772 57.495 55.803 -0.135 0.000 0.838 45 Q CB 0.003 28.724 28.738 -0.029 0.000 0.899 45 Q HN 0.227 nan 8.270 nan 0.000 0.423 46 S N 0.818 116.593 115.700 0.127 0.000 2.382 46 S HA -0.107 4.365 4.470 0.003 0.000 0.228 46 S C 1.909 176.530 174.600 0.035 0.000 1.027 46 S CA 1.119 59.472 58.200 0.256 0.000 0.991 46 S CB -0.228 63.194 63.200 0.369 0.000 0.823 46 S HN 0.361 nan 8.310 nan 0.000 0.469 47 L N 0.968 122.178 121.223 -0.022 0.000 2.141 47 L HA -0.134 4.208 4.340 0.003 0.000 0.209 47 L C 2.328 179.173 176.870 -0.042 0.000 1.094 47 L CA 1.290 56.112 54.840 -0.030 0.000 0.763 47 L CB -0.544 41.511 42.059 -0.007 0.000 0.908 47 L HN 0.282 nan 8.230 nan 0.000 0.437 48 D N -0.632 119.710 120.400 -0.097 0.000 2.097 48 D HA -0.229 4.413 4.640 0.003 0.000 0.197 48 D C 2.082 178.353 176.300 -0.049 0.000 0.984 48 D CA 1.431 55.363 54.000 -0.113 0.000 0.826 48 D CB -0.021 40.646 40.800 -0.222 0.000 0.973 48 D HN 0.161 nan 8.370 nan 0.000 0.460 49 Y N -0.538 119.747 120.300 -0.025 0.000 2.224 49 Y HA -0.147 4.404 4.550 0.003 0.000 0.289 49 Y C 2.143 177.941 175.900 -0.170 0.000 1.146 49 Y CA 0.964 59.057 58.100 -0.012 0.000 1.182 49 Y CB -1.227 37.302 38.460 0.115 0.000 0.983 49 Y HN 0.171 nan 8.280 nan 0.000 0.524 50 Y N 0.299 120.254 120.300 -0.576 0.000 2.097 50 Y HA -0.244 4.307 4.550 0.003 0.000 0.282 50 Y C 2.108 177.881 175.900 -0.210 0.000 1.152 50 Y CA 1.412 58.971 58.100 -0.901 0.000 1.136 50 Y CB -0.858 37.106 38.460 -0.827 0.000 0.975 50 Y HN 0.064 nan 8.280 nan 0.000 0.498 51 L N 0.049 121.110 121.223 -0.270 0.000 2.079 51 L HA -0.253 4.089 4.340 0.003 0.000 0.210 51 L C 2.485 179.486 176.870 0.219 0.000 1.081 51 L CA 1.767 56.507 54.840 -0.167 0.000 0.752 51 L CB -0.515 41.488 42.059 -0.092 0.000 0.896 51 L HN 0.171 nan 8.230 nan 0.000 0.433 52 K N -0.069 120.443 120.400 0.187 0.000 2.057 52 K HA -0.102 4.220 4.320 0.003 0.000 0.206 52 K C 2.166 178.903 176.600 0.227 0.000 1.050 52 K CA 1.294 57.716 56.287 0.224 0.000 0.935 52 K CB -0.222 32.413 32.500 0.226 0.000 0.715 52 K HN 0.268 nan 8.250 nan 0.000 0.439 53 A N 0.970 123.947 122.820 0.262 0.000 2.067 53 A HA -0.052 4.270 4.320 0.003 0.000 0.219 53 A C 1.957 179.685 177.584 0.240 0.000 1.158 53 A CA 0.983 53.224 52.037 0.340 0.000 0.661 53 A CB -0.361 19.003 19.000 0.606 0.000 0.801 53 A HN 0.151 nan 8.150 nan 0.000 0.452 54 L N -1.409 119.901 121.223 0.145 0.000 2.209 54 L HA -0.133 4.209 4.340 0.003 0.000 0.207 54 L C 2.707 179.712 176.870 0.225 0.000 1.094 54 L CA 1.129 56.047 54.840 0.130 0.000 0.790 54 L CB -0.420 41.612 42.059 -0.044 0.000 0.932 54 L HN 0.547 nan 8.230 nan 0.000 0.447 55 Q N 0.750 120.685 119.800 0.225 0.000 2.118 55 Q HA -0.225 4.117 4.340 0.003 0.000 0.211 55 Q C -0.709 175.301 176.000 0.017 0.000 0.998 55 Q CA 2.350 58.150 55.803 -0.006 0.000 0.872 55 Q CB -0.631 28.010 28.738 -0.162 0.000 0.925 55 Q HN 0.346 nan 8.270 nan 0.000 0.414 56 P HA -0.049 nan 4.420 nan 0.000 0.236 56 P C 0.888 178.248 177.300 0.101 0.000 1.177 56 P CA 1.007 64.152 63.100 0.075 0.000 0.773 56 P CB -0.105 31.649 31.700 0.090 0.000 0.878 57 I N -3.140 117.497 120.570 0.112 0.000 4.154 57 I HA 0.236 4.407 4.170 0.003 0.000 0.334 57 I C 0.269 176.444 176.117 0.097 0.000 1.371 57 I CA -0.574 60.790 61.300 0.107 0.000 1.110 57 I CB 0.777 38.840 38.000 0.105 0.000 1.085 57 I HN -0.309 nan 8.210 nan 0.000 0.398 58 V N -0.909 119.072 119.914 0.111 0.000 3.040 58 V HA 0.713 4.835 4.120 0.003 0.000 0.312 58 V C 0.394 176.555 176.094 0.111 0.000 1.115 58 V CA -0.320 62.046 62.300 0.111 0.000 0.998 58 V CB 1.398 33.304 31.823 0.138 0.000 1.042 58 V HN 0.316 nan 8.190 nan 0.000 0.433 59 S N 0.990 116.747 115.700 0.095 0.000 2.589 59 S HA 0.242 4.714 4.470 0.003 0.000 0.265 59 S C 0.769 175.441 174.600 0.120 0.000 1.342 59 S CA 0.486 58.736 58.200 0.083 0.000 1.005 59 S CB 0.532 63.769 63.200 0.061 0.000 0.909 59 S HN 0.873 nan 8.310 nan 0.000 0.555 60 E N 0.881 121.131 120.200 0.085 0.000 2.110 60 E HA -0.175 4.176 4.350 0.003 0.000 0.193 60 E C 1.843 178.542 176.600 0.166 0.000 0.988 60 E CA 1.616 58.076 56.400 0.100 0.000 0.804 60 E CB -0.166 29.557 29.700 0.039 0.000 0.745 60 E HN 0.753 nan 8.360 nan 0.000 0.458 61 E N 1.160 121.431 120.200 0.118 0.000 2.031 61 E HA -0.179 4.172 4.350 0.003 0.000 0.193 61 E C 1.866 178.547 176.600 0.136 0.000 0.994 61 E CA 1.193 57.659 56.400 0.111 0.000 0.800 61 E CB -0.169 29.568 29.700 0.062 0.000 0.752 61 E HN 0.294 nan 8.360 nan 0.000 0.447 62 E N -0.332 119.939 120.200 0.118 0.000 2.118 62 E HA -0.205 4.147 4.350 0.003 0.000 0.195 62 E C 1.823 178.515 176.600 0.154 0.000 0.992 62 E CA 1.003 57.465 56.400 0.103 0.000 0.804 62 E CB -0.287 29.458 29.700 0.075 0.000 0.741 62 E HN 0.342 nan 8.360 nan 0.000 0.458 63 W N 1.377 122.688 121.300 0.019 0.000 2.381 63 W HA -0.151 4.510 4.660 0.003 0.000 0.301 63 W C 2.459 178.981 176.519 0.005 0.000 1.205 63 W CA 1.941 59.283 57.345 -0.005 0.000 1.285 63 W CB -0.199 29.249 29.460 -0.019 0.000 1.133 63 W HN 0.031 nan 8.180 nan 0.000 0.521 64 A N -0.662 122.374 122.820 0.361 0.000 1.908 64 A HA -0.316 4.006 4.320 0.003 0.000 0.218 64 A C 2.091 179.677 177.584 0.003 0.000 1.181 64 A CA 1.995 54.162 52.037 0.216 0.000 0.627 64 A CB -1.555 17.580 19.000 0.226 0.000 0.818 64 A HN 0.612 nan 8.150 nan 0.000 0.445 65 H N -0.153 118.891 119.070 -0.045 0.000 2.321 65 H HA -0.104 4.454 4.556 0.003 0.000 0.300 65 H C 1.996 177.229 175.328 -0.158 0.000 1.087 65 H CA 2.084 58.085 56.048 -0.078 0.000 1.319 65 H CB -0.270 29.467 29.762 -0.042 0.000 1.379 65 H HN 0.415 nan 8.280 nan 0.000 0.501 66 T N 0.944 115.427 114.554 -0.120 0.000 2.788 66 T HA -0.142 4.209 4.350 0.003 0.000 0.268 66 T C 1.994 176.438 174.700 -0.427 0.000 1.044 66 T CA 1.695 63.643 62.100 -0.252 0.000 1.139 66 T CB -0.101 68.592 68.868 -0.291 0.000 0.867 66 T HN 0.211 nan 8.240 nan 0.000 0.454 67 K N 1.527 121.566 120.400 -0.603 0.000 2.063 67 K HA -0.112 4.210 4.320 0.003 0.000 0.208 67 K C 2.282 178.679 176.600 -0.337 0.000 1.048 67 K CA 1.555 57.477 56.287 -0.608 0.000 0.928 67 K CB -0.333 31.736 32.500 -0.717 0.000 0.713 67 K HN 0.417 nan 8.250 nan 0.000 0.442 68 Q N -0.068 119.554 119.800 -0.297 0.000 2.046 68 Q HA -0.086 4.255 4.340 0.003 0.000 0.200 68 Q C 2.196 178.052 176.000 -0.239 0.000 0.975 68 Q CA 1.701 57.361 55.803 -0.238 0.000 0.836 68 Q CB -0.199 28.387 28.738 -0.254 0.000 0.896 68 Q HN 0.291 nan 8.270 nan 0.000 0.428 69 L N 0.072 121.107 121.223 -0.314 0.000 2.042 69 L HA -0.199 4.142 4.340 0.003 0.000 0.210 69 L C 2.390 179.159 176.870 -0.169 0.000 1.076 69 L CA 0.811 55.499 54.840 -0.254 0.000 0.749 69 L CB -0.605 41.279 42.059 -0.292 0.000 0.893 69 L HN 0.111 nan 8.230 nan 0.000 0.432 70 V N -0.152 119.652 119.914 -0.184 0.000 2.295 70 V HA -0.291 3.831 4.120 0.003 0.000 0.246 70 V C 2.197 178.269 176.094 -0.036 0.000 1.049 70 V CA 1.930 64.169 62.300 -0.102 0.000 1.024 70 V CB -0.522 31.219 31.823 -0.138 0.000 0.648 70 V HN 0.455 nan 8.190 nan 0.000 0.447 71 D N -0.327 120.022 120.400 -0.084 0.000 2.104 71 D HA -0.209 4.432 4.640 0.003 0.000 0.194 71 D C 2.172 178.444 176.300 -0.046 0.000 0.994 71 D CA 1.701 55.663 54.000 -0.064 0.000 0.830 71 D CB -0.096 40.657 40.800 -0.077 0.000 0.959 71 D HN 0.505 nan 8.370 nan 0.000 0.452 72 E N 0.302 120.474 120.200 -0.047 0.000 2.051 72 E HA -0.166 4.185 4.350 0.003 0.000 0.192 72 E C 1.925 178.521 176.600 -0.006 0.000 0.991 72 E CA 0.606 56.984 56.400 -0.036 0.000 0.799 72 E CB -0.559 29.114 29.700 -0.046 0.000 0.748 72 E HN 0.178 nan 8.360 nan 0.000 0.449 73 F N 1.757 121.615 119.950 -0.153 0.000 2.154 73 F HA -0.197 4.331 4.527 0.003 0.000 0.301 73 F C 2.114 177.833 175.800 -0.135 0.000 1.087 73 F CA 2.236 60.136 58.000 -0.166 0.000 1.274 73 F CB -0.251 38.608 39.000 -0.233 0.000 1.009 73 F HN 0.257 nan 8.300 nan 0.000 0.485 74 Q N -0.535 119.196 119.800 -0.115 0.000 2.280 74 Q HA 0.104 4.446 4.340 0.003 0.000 0.201 74 Q C 0.678 176.591 176.000 -0.144 0.000 0.890 74 Q CA 0.188 55.880 55.803 -0.185 0.000 0.947 74 Q CB -0.448 28.245 28.738 -0.076 0.000 1.081 74 Q HN 0.227 nan 8.270 nan 0.000 0.502 75 T N 1.108 115.588 114.554 -0.123 0.000 2.900 75 T HA 0.087 4.439 4.350 0.003 0.000 0.307 75 T C -0.061 174.578 174.700 -0.102 0.000 1.065 75 T CA -0.035 62.008 62.100 -0.094 0.000 1.105 75 T CB 0.833 69.656 68.868 -0.075 0.000 0.979 75 T HN 0.344 nan 8.240 nan 0.000 0.544 76 S N 2.482 118.135 115.700 -0.079 0.000 2.563 76 S HA 0.354 4.826 4.470 0.003 0.000 0.294 76 S C 1.493 176.048 174.600 -0.074 0.000 1.279 76 S CA 0.651 58.807 58.200 -0.073 0.000 1.069 76 S CB 0.106 63.273 63.200 -0.055 0.000 0.828 76 S HN 1.291 nan 8.310 nan 0.000 0.497 77 G N 2.449 111.202 108.800 -0.078 0.000 2.155 77 G HA2 -0.194 3.768 3.960 0.003 0.000 0.257 77 G HA3 -0.194 3.768 3.960 0.003 0.000 0.257 77 G C 0.396 175.245 174.900 -0.086 0.000 0.983 77 G CA 0.049 45.106 45.100 -0.072 0.000 0.676 77 G HN 1.081 nan 8.290 nan 0.000 0.528 78 G N -1.486 107.243 108.800 -0.118 0.000 2.532 78 G HA2 0.589 4.551 3.960 0.003 0.000 0.291 78 G HA3 0.589 4.551 3.960 0.003 0.000 0.291 78 G C 1.223 176.012 174.900 -0.185 0.000 1.349 78 G CA 0.336 45.352 45.100 -0.141 0.000 1.038 78 G HN 0.645 nan 8.290 nan 0.000 0.518 79 V N 0.970 120.761 119.914 -0.205 0.000 2.261 79 V HA -0.108 4.014 4.120 0.003 0.000 0.246 79 V C 3.152 178.995 176.094 -0.418 0.000 1.047 79 V CA 2.566 64.739 62.300 -0.212 0.000 1.015 79 V CB -1.221 30.551 31.823 -0.086 0.000 0.642 79 V HN 0.825 nan 8.190 nan 0.000 0.446 80 G N -0.786 107.435 108.800 -0.966 0.000 2.440 80 G HA2 -0.332 3.630 3.960 0.003 0.000 0.218 80 G HA3 -0.332 3.630 3.960 0.003 0.000 0.218 80 G C 1.539 176.112 174.900 -0.545 0.000 1.154 80 G CA 1.089 45.391 45.100 -1.329 0.000 0.767 80 G HN 0.602 nan 8.290 nan 0.000 0.552 81 E N 0.133 120.100 120.200 -0.387 0.000 2.077 81 E HA -0.124 4.227 4.350 0.003 0.000 0.193 81 E C 2.645 179.155 176.600 -0.150 0.000 0.989 81 E CA 0.682 56.954 56.400 -0.214 0.000 0.800 81 E CB -0.092 29.508 29.700 -0.167 0.000 0.746 81 E HN 0.390 nan 8.360 nan 0.000 0.452 82 R N -0.020 120.393 120.500 -0.146 0.000 2.092 82 R HA -0.082 4.260 4.340 0.003 0.000 0.231 82 R C 2.568 178.833 176.300 -0.059 0.000 1.119 82 R CA 1.139 57.188 56.100 -0.086 0.000 0.970 82 R CB -0.222 30.037 30.300 -0.070 0.000 0.864 82 R HN 0.285 nan 8.270 nan 0.000 0.440 83 L N 0.322 121.503 121.223 -0.070 0.000 2.056 83 L HA -0.196 4.145 4.340 0.003 0.000 0.207 83 L C 2.671 179.541 176.870 0.000 0.000 1.078 83 L CA 1.158 55.998 54.840 -0.001 0.000 0.749 83 L CB -0.415 41.676 42.059 0.053 0.000 0.901 83 L HN 0.156 nan 8.230 nan 0.000 0.433 84 Q N 0.912 120.691 119.800 -0.035 0.000 2.050 84 Q HA -0.217 4.125 4.340 0.003 0.000 0.202 84 Q C 2.090 178.059 176.000 -0.052 0.000 0.980 84 Q CA 1.770 57.562 55.803 -0.018 0.000 0.840 84 Q CB -0.027 28.697 28.738 -0.023 0.000 0.898 84 Q HN 0.286 nan 8.270 nan 0.000 0.424 85 K N -0.842 119.526 120.400 -0.053 0.000 2.147 85 K HA -0.067 4.254 4.320 0.003 0.000 0.205 85 K C 1.989 178.562 176.600 -0.044 0.000 1.049 85 K CA 0.978 57.234 56.287 -0.052 0.000 0.936 85 K CB -0.359 32.114 32.500 -0.046 0.000 0.722 85 K HN 0.425 nan 8.250 nan 0.000 0.446 86 G N 1.443 110.229 108.800 -0.024 0.000 2.402 86 G HA2 -0.211 3.750 3.960 0.003 0.000 0.216 86 G HA3 -0.211 3.750 3.960 0.003 0.000 0.216 86 G C 1.473 176.361 174.900 -0.020 0.000 1.162 86 G CA 0.425 45.526 45.100 0.002 0.000 0.777 86 G HN 0.092 nan 8.290 nan 0.000 0.539 87 L N 0.119 121.307 121.223 -0.059 0.000 2.093 87 L HA -0.041 4.300 4.340 0.003 0.000 0.208 87 L C 2.895 179.611 176.870 -0.256 0.000 1.085 87 L CA 1.162 55.886 54.840 -0.193 0.000 0.755 87 L CB -0.389 41.465 42.059 -0.343 0.000 0.904 87 L HN 0.315 nan 8.230 nan 0.000 0.435 88 E N -0.214 119.874 120.200 -0.187 0.000 2.106 88 E HA -0.186 4.166 4.350 0.003 0.000 0.192 88 E C 2.320 178.864 176.600 -0.094 0.000 0.984 88 E CA 0.739 57.047 56.400 -0.154 0.000 0.806 88 E CB -0.008 29.625 29.700 -0.111 0.000 0.750 88 E HN 0.422 nan 8.360 nan 0.000 0.458 89 R N 0.609 121.068 120.500 -0.069 0.000 2.075 89 R HA -0.063 4.278 4.340 0.003 0.000 0.232 89 R C 2.463 178.739 176.300 -0.040 0.000 1.126 89 R CA 0.924 56.999 56.100 -0.042 0.000 0.963 89 R CB -0.254 30.030 30.300 -0.027 0.000 0.858 89 R HN 0.054 nan 8.270 nan 0.000 0.435 90 R N 0.768 121.236 120.500 -0.054 0.000 2.105 90 R HA -0.136 4.206 4.340 0.003 0.000 0.239 90 R C 2.072 178.367 176.300 -0.008 0.000 1.135 90 R CA 1.615 57.683 56.100 -0.053 0.000 0.967 90 R CB -0.204 30.042 30.300 -0.090 0.000 0.861 90 R HN 0.218 nan 8.270 nan 0.000 0.442 91 A N 0.762 123.578 122.820 -0.006 0.000 2.015 91 A HA -0.122 4.200 4.320 0.003 0.000 0.219 91 A C 1.815 179.422 177.584 0.038 0.000 1.163 91 A CA 1.265 53.344 52.037 0.069 0.000 0.646 91 A CB -0.159 18.855 19.000 0.024 0.000 0.806 91 A HN 0.324 nan 8.150 nan 0.000 0.448 92 K N -0.099 120.303 120.400 0.003 0.000 2.228 92 K HA -0.068 4.253 4.320 0.003 0.000 0.202 92 K C 1.551 178.152 176.600 0.003 0.000 1.051 92 K CA 1.357 57.645 56.287 0.002 0.000 0.960 92 K CB 0.001 32.495 32.500 -0.010 0.000 0.743 92 K HN 0.693 nan 8.250 nan 0.000 0.458 93 K N -0.249 120.149 120.400 -0.003 0.000 2.358 93 K HA 0.206 4.528 4.320 0.003 0.000 0.197 93 K C 0.376 176.972 176.600 -0.007 0.000 1.025 93 K CA 0.098 56.381 56.287 -0.007 0.000 1.104 93 K CB 0.427 32.918 32.500 -0.015 0.000 0.855 93 K HN -0.032 nan 8.250 nan 0.000 0.531 94 M N 0.721 120.323 119.600 0.004 0.000 2.619 94 M HA 0.252 4.734 4.480 0.003 0.000 0.297 94 M C 0.104 176.424 176.300 0.034 0.000 1.229 94 M CA -0.616 54.685 55.300 0.002 0.000 0.860 94 M CB 2.443 35.027 32.600 -0.027 0.000 1.741 94 M HN -0.073 nan 8.290 nan 0.000 0.462 95 E N 0.884 121.109 120.200 0.043 0.000 2.150 95 E HA -0.064 4.288 4.350 0.003 0.000 0.193 95 E C 0.221 176.876 176.600 0.093 0.000 0.985 95 E CA 0.811 57.279 56.400 0.115 0.000 0.814 95 E CB 0.245 30.053 29.700 0.179 0.000 0.752 95 E HN 0.394 nan 8.360 nan 0.000 0.466 96 N N -0.276 118.418 118.700 -0.009 0.000 2.549 96 N HA -0.023 4.719 4.740 0.003 0.000 0.290 96 N C -0.005 175.432 175.510 -0.123 0.000 1.122 96 N CA -0.482 52.511 53.050 -0.095 0.000 0.885 96 N CB 0.609 38.983 38.487 -0.188 0.000 1.455 96 N HN 0.183 nan 8.380 nan 0.000 0.521 97 W N 4.049 125.284 121.300 -0.109 0.000 2.421 97 W HA -0.080 4.581 4.660 0.003 0.000 0.270 97 W C 0.440 176.851 176.519 -0.181 0.000 1.233 97 W CA 0.312 57.553 57.345 -0.175 0.000 1.226 97 W CB -0.159 29.221 29.460 -0.133 0.000 1.121 97 W HN 0.435 nan 8.180 nan 0.000 0.579 98 L N 1.684 122.407 121.223 -0.834 0.000 2.357 98 L HA 0.111 4.452 4.340 0.003 0.000 0.211 98 L C 2.608 179.365 176.870 -0.187 0.000 1.075 98 L CA 1.603 56.019 54.840 -0.708 0.000 0.830 98 L CB -0.701 40.554 42.059 -1.339 0.000 0.996 98 L HN -0.191 nan 8.230 nan 0.000 0.467 99 S N 0.304 115.885 115.700 -0.199 0.000 2.422 99 S HA -0.395 4.076 4.470 0.003 0.000 0.248 99 S C 1.842 176.491 174.600 0.082 0.000 1.069 99 S CA 2.337 60.517 58.200 -0.033 0.000 1.214 99 S CB -0.577 62.574 63.200 -0.081 0.000 1.122 99 S HN 0.675 nan 8.310 nan 0.000 0.432 100 E N -0.552 119.662 120.200 0.023 0.000 2.077 100 E HA -0.189 4.162 4.350 0.003 0.000 0.193 100 E C 1.948 178.671 176.600 0.205 0.000 0.989 100 E CA 1.254 57.694 56.400 0.068 0.000 0.800 100 E CB -0.153 29.540 29.700 -0.011 0.000 0.746 100 E HN 0.587 nan 8.360 nan 0.000 0.452 101 W N 0.762 122.107 121.300 0.074 0.000 2.335 101 W HA -0.194 4.468 4.660 0.003 0.000 0.311 101 W C 2.230 178.804 176.519 0.091 0.000 1.213 101 W CA 0.604 58.001 57.345 0.087 0.000 1.274 101 W CB -1.391 28.151 29.460 0.137 0.000 1.148 101 W HN 0.392 nan 8.180 nan 0.000 0.498 102 W N 0.467 121.865 121.300 0.162 0.000 2.379 102 W HA -0.225 4.437 4.660 0.003 0.000 0.307 102 W C 2.148 178.669 176.519 0.003 0.000 1.200 102 W CA 1.279 58.639 57.345 0.024 0.000 1.297 102 W CB -0.745 28.701 29.460 -0.024 0.000 1.140 102 W HN -0.188 nan 8.180 nan 0.000 0.507 103 L N 2.168 123.423 121.223 0.054 0.000 2.042 103 L HA -0.229 4.113 4.340 0.003 0.000 0.210 103 L C 2.540 179.374 176.870 -0.060 0.000 1.076 103 L CA 2.484 57.340 54.840 0.026 0.000 0.749 103 L CB -1.162 40.972 42.059 0.125 0.000 0.893 103 L HN -0.089 nan 8.230 nan 0.000 0.432 104 K N -1.220 119.169 120.400 -0.019 0.000 2.001 104 K HA -0.164 4.158 4.320 0.003 0.000 0.208 104 K C 2.038 178.559 176.600 -0.131 0.000 1.048 104 K CA 1.960 58.234 56.287 -0.020 0.000 0.932 104 K CB -0.281 32.261 32.500 0.070 0.000 0.715 104 K HN 0.629 nan 8.250 nan 0.000 0.437 105 T N -1.605 112.827 114.554 -0.202 0.000 2.857 105 T HA 0.019 4.371 4.350 0.003 0.000 0.266 105 T C 1.977 176.343 174.700 -0.556 0.000 1.048 105 T CA 0.965 62.888 62.100 -0.295 0.000 1.139 105 T CB -0.168 68.562 68.868 -0.230 0.000 0.874 105 T HN 0.226 nan 8.240 nan 0.000 0.455 106 A N -0.255 121.967 122.820 -0.997 0.000 1.930 106 A HA 0.295 4.617 4.320 0.003 0.000 0.215 106 A C 1.733 178.526 177.584 -1.319 0.000 1.176 106 A CA 0.687 51.808 52.037 -1.526 0.000 0.632 106 A CB -0.411 16.979 19.000 -2.683 0.000 0.819 106 A HN 0.686 nan 8.150 nan 0.000 0.445 107 Y N -1.712 118.380 120.300 -0.347 0.000 3.011 107 Y HA 0.281 4.832 4.550 0.003 0.000 0.231 107 Y C 1.970 177.860 175.900 -0.016 0.000 0.983 107 Y CA -0.278 57.753 58.100 -0.116 0.000 1.429 107 Y CB -0.103 38.284 38.460 -0.122 0.000 1.491 107 Y HN -0.018 nan 8.280 nan 0.000 0.444 108 L N 0.575 121.866 121.223 0.113 0.000 2.127 108 L HA -0.238 4.104 4.340 0.003 0.000 0.211 108 L C 1.484 178.375 176.870 0.035 0.000 1.089 108 L CA 1.697 56.578 54.840 0.068 0.000 0.757 108 L CB -0.477 41.612 42.059 0.050 0.000 0.899 108 L HN 0.428 nan 8.230 nan 0.000 0.434 109 Q N -1.118 118.692 119.800 0.016 0.000 2.319 109 Q HA 0.063 4.404 4.340 0.003 0.000 0.202 109 Q C -0.046 175.992 176.000 0.064 0.000 0.896 109 Q CA -0.308 55.504 55.803 0.014 0.000 0.942 109 Q CB 0.460 29.190 28.738 -0.013 0.000 1.083 109 Q HN 0.186 nan 8.270 nan 0.000 0.510 110 F N 1.945 121.818 119.950 -0.128 0.000 2.438 110 F HA 0.147 4.676 4.527 0.003 0.000 0.360 110 F C 0.651 176.369 175.800 -0.137 0.000 1.118 110 F CA -0.617 57.298 58.000 -0.142 0.000 1.164 110 F CB 0.541 39.446 39.000 -0.160 0.000 1.131 110 F HN -0.154 nan 8.300 nan 0.000 0.527 111 R N 2.591 122.908 120.500 -0.304 0.000 2.297 111 R HA 0.089 4.431 4.340 0.003 0.000 0.197 111 R C 0.506 176.209 176.300 -0.995 0.000 0.943 111 R CA 0.113 55.901 56.100 -0.521 0.000 1.038 111 R CB -0.389 29.752 30.300 -0.264 0.000 0.957 111 R HN 0.593 nan 8.270 nan 0.000 0.484 112 Q N 1.200 120.309 119.800 -1.152 0.000 2.454 112 Q HA 0.203 4.545 4.340 0.003 0.000 0.247 112 Q C -2.130 173.481 176.000 -0.647 0.000 1.028 112 Q CA -2.050 53.186 55.803 -0.945 0.000 0.910 112 Q CB -0.159 27.927 28.738 -1.086 0.000 1.276 112 Q HN -0.043 nan 8.270 nan 0.000 0.489 113 P HA -0.100 nan 4.420 nan 0.000 0.266 113 P C 0.850 178.096 177.300 -0.091 0.000 1.193 113 P CA 0.216 63.238 63.100 -0.129 0.000 0.770 113 P CB 0.421 32.118 31.700 -0.004 0.000 0.836 114 V N 1.021 120.861 119.914 -0.123 0.000 2.809 114 V HA -0.051 4.070 4.120 0.003 0.000 0.256 114 V C 0.822 176.838 176.094 -0.130 0.000 1.080 114 V CA 0.880 63.144 62.300 -0.060 0.000 1.102 114 V CB -0.803 31.009 31.823 -0.018 0.000 0.705 114 V HN 0.142 nan 8.190 nan 0.000 0.475 115 V N 1.990 121.720 119.914 -0.307 0.000 2.585 115 V HA 0.224 4.346 4.120 0.003 0.000 0.296 115 V C 1.392 177.228 176.094 -0.431 0.000 1.035 115 V CA 0.963 62.975 62.300 -0.481 0.000 1.084 115 V CB 0.246 31.617 31.823 -0.752 0.000 0.953 115 V HN 0.615 nan 8.190 nan 0.000 0.483 116 I N 1.501 121.868 120.570 -0.338 0.000 4.300 116 I HA -0.439 3.733 4.170 0.003 0.000 0.079 116 I C 1.399 177.365 176.117 -0.253 0.000 0.562 116 I CA 1.977 63.065 61.300 -0.353 0.000 1.126 116 I CB -1.211 36.421 38.000 -0.613 0.000 1.002 116 I HN 0.666 nan 8.210 nan 0.000 0.174 117 Y N -0.297 120.064 120.300 0.101 0.000 2.516 117 Y HA -0.003 4.549 4.550 0.003 0.000 0.291 117 Y C 2.388 178.453 175.900 0.275 0.000 1.131 117 Y CA 1.185 59.410 58.100 0.209 0.000 1.281 117 Y CB 0.087 38.645 38.460 0.163 0.000 1.013 117 Y HN 0.350 nan 8.280 nan 0.000 0.554 118 S N -1.679 114.186 115.700 0.275 0.000 3.325 118 S HA 0.123 4.595 4.470 0.003 0.000 0.254 118 S C 0.539 175.216 174.600 0.128 0.000 1.084 118 S CA -0.239 58.129 58.200 0.280 0.000 0.786 118 S CB -0.446 62.965 63.200 0.352 0.000 0.849 118 S HN 0.055 nan 8.310 nan 0.000 0.483 119 S N 4.238 119.935 115.700 -0.004 0.000 2.465 119 S HA 0.412 4.884 4.470 0.003 0.000 0.280 119 S C -2.667 171.792 174.600 -0.236 0.000 1.232 119 S CA -0.610 57.482 58.200 -0.180 0.000 1.066 119 S CB 0.951 64.099 63.200 -0.088 0.000 0.929 119 S HN 0.390 nan 8.310 nan 0.000 0.494 120 P HA 0.274 nan 4.420 nan 0.000 0.275 120 P C 0.114 177.313 177.300 -0.168 0.000 1.228 120 P CA -0.218 62.719 63.100 -0.272 0.000 0.786 120 P CB 0.571 32.045 31.700 -0.377 0.000 0.927 121 G N 1.159 109.941 108.800 -0.029 0.000 2.389 121 G HA2 0.529 4.491 3.960 0.003 0.000 0.317 121 G HA3 0.529 4.491 3.960 0.003 0.000 0.317 121 G C -1.156 173.764 174.900 0.033 0.000 1.137 121 G CA -0.449 44.648 45.100 -0.004 0.000 0.870 121 G HN 0.339 nan 8.290 nan 0.000 0.496 122 V N 2.379 122.317 119.914 0.041 0.000 2.444 122 V HA 0.361 4.483 4.120 0.003 0.000 0.294 122 V C -0.651 175.466 176.094 0.038 0.000 1.022 122 V CA -0.628 61.703 62.300 0.052 0.000 0.850 122 V CB 1.411 33.267 31.823 0.056 0.000 0.992 122 V HN 0.580 nan 8.190 nan 0.000 0.426 123 I N 6.076 126.667 120.570 0.034 0.000 2.330 123 I HA 0.441 4.613 4.170 0.003 0.000 0.289 123 I C 0.024 176.168 176.117 0.046 0.000 1.001 123 I CA 0.261 61.578 61.300 0.028 0.000 1.193 123 I CB 1.160 39.164 38.000 0.006 0.000 1.345 123 I HN 0.405 nan 8.210 nan 0.000 0.461 124 L N 7.069 128.329 121.223 0.061 0.000 2.400 124 L HA 0.605 4.946 4.340 0.003 0.000 0.264 124 L C -2.134 174.764 176.870 0.047 0.000 1.061 124 L CA -1.968 52.916 54.840 0.074 0.000 0.799 124 L CB 0.555 42.688 42.059 0.123 0.000 1.240 124 L HN 0.300 nan 8.230 nan 0.000 0.461 125 P HA 0.027 nan 4.420 nan 0.000 0.268 125 P C -0.976 176.301 177.300 -0.039 0.000 1.204 125 P CA -0.203 62.904 63.100 0.011 0.000 0.768 125 P CB 0.433 32.145 31.700 0.018 0.000 0.842 126 K N 3.281 123.647 120.400 -0.057 0.000 2.448 126 K HA 0.021 4.343 4.320 0.003 0.000 0.278 126 K C 0.161 176.625 176.600 -0.226 0.000 1.009 126 K CA -0.181 56.030 56.287 -0.126 0.000 0.995 126 K CB 0.325 32.779 32.500 -0.076 0.000 0.917 126 K HN 0.375 nan 8.250 nan 0.000 0.481 127 Q N 2.037 121.594 119.800 -0.405 0.000 2.256 127 Q HA 0.033 4.375 4.340 0.003 0.000 0.232 127 Q C 0.153 175.855 176.000 -0.496 0.000 0.965 127 Q CA -0.170 55.343 55.803 -0.484 0.000 0.908 127 Q CB 1.316 29.619 28.738 -0.724 0.000 1.209 127 Q HN 0.786 nan 8.270 nan 0.000 0.489 128 D N -0.943 119.277 120.400 -0.300 0.000 2.340 128 D HA -0.019 4.622 4.640 0.003 0.000 0.220 128 D C 0.275 176.480 176.300 -0.159 0.000 1.039 128 D CA -0.166 53.705 54.000 -0.215 0.000 0.866 128 D CB -0.579 40.161 40.800 -0.100 0.000 0.913 128 D HN 0.339 nan 8.370 nan 0.000 0.523 129 F N 0.476 120.376 119.950 -0.083 0.000 2.572 129 F HA 0.259 4.787 4.527 0.003 0.000 0.370 129 F C 1.088 176.866 175.800 -0.038 0.000 1.103 129 F CA -1.296 56.674 58.000 -0.049 0.000 1.286 129 F CB 0.569 39.552 39.000 -0.028 0.000 1.105 129 F HN -0.135 nan 8.300 nan 0.000 0.583 130 V N -0.841 119.193 119.914 0.201 0.000 3.427 130 V HA 0.327 4.449 4.120 0.003 0.000 0.305 130 V C -0.486 175.688 176.094 0.132 0.000 1.412 130 V CA 0.442 62.810 62.300 0.113 0.000 1.086 130 V CB -1.045 30.801 31.823 0.037 0.000 0.964 130 V HN 0.996 nan 8.190 nan 0.000 0.439 131 D N -1.508 118.996 120.400 0.173 0.000 2.725 131 D HA 0.145 4.787 4.640 0.003 0.000 0.292 131 D C 0.721 177.004 176.300 -0.028 0.000 1.288 131 D CA -0.614 53.426 54.000 0.067 0.000 0.784 131 D CB 0.894 41.703 40.800 0.016 0.000 1.308 131 D HN -0.175 nan 8.370 nan 0.000 0.429 132 L N -0.071 121.067 121.223 -0.142 0.000 2.034 132 L HA -0.244 4.098 4.340 0.003 0.000 0.217 132 L C 2.559 179.255 176.870 -0.290 0.000 1.077 132 L CA 2.311 56.931 54.840 -0.366 0.000 0.769 132 L CB -2.088 39.649 42.059 -0.537 0.000 0.890 132 L HN 0.682 nan 8.230 nan 0.000 0.435 133 Q N 0.297 120.011 119.800 -0.143 0.000 2.014 133 Q HA -0.174 4.167 4.340 0.003 0.000 0.207 133 Q C 2.229 178.190 176.000 -0.066 0.000 0.993 133 Q CA 2.424 58.209 55.803 -0.029 0.000 0.850 133 Q CB -0.805 27.910 28.738 -0.039 0.000 0.916 133 Q HN 0.448 nan 8.270 nan 0.000 0.417 134 G N -0.088 108.662 108.800 -0.083 0.000 2.422 134 G HA2 -0.335 3.626 3.960 0.003 0.000 0.218 134 G HA3 -0.335 3.626 3.960 0.003 0.000 0.218 134 G C 1.329 176.005 174.900 -0.374 0.000 1.146 134 G CA 0.804 45.864 45.100 -0.067 0.000 0.769 134 G HN 0.542 nan 8.290 nan 0.000 0.547 135 Q N -0.230 119.114 119.800 -0.760 0.000 2.050 135 Q HA -0.021 4.320 4.340 0.003 0.000 0.202 135 Q C 2.534 178.244 176.000 -0.483 0.000 0.980 135 Q CA 1.045 56.061 55.803 -1.312 0.000 0.840 135 Q CB -0.212 28.024 28.738 -0.836 0.000 0.898 135 Q HN 0.505 nan 8.270 nan 0.000 0.424 136 L N 0.027 121.116 121.223 -0.225 0.000 2.156 136 L HA -0.120 4.222 4.340 0.003 0.000 0.208 136 L C 2.677 179.659 176.870 0.188 0.000 1.095 136 L CA 0.548 55.389 54.840 0.001 0.000 0.770 136 L CB -0.425 41.633 42.059 -0.002 0.000 0.914 136 L HN 0.166 nan 8.230 nan 0.000 0.439 137 R N -0.136 120.434 120.500 0.116 0.000 2.081 137 R HA -0.163 4.179 4.340 0.003 0.000 0.235 137 R C 2.191 178.519 176.300 0.048 0.000 1.131 137 R CA 1.452 57.548 56.100 -0.006 0.000 0.960 137 R CB -0.912 29.281 30.300 -0.179 0.000 0.856 137 R HN 0.259 nan 8.270 nan 0.000 0.436 138 F N 1.434 121.342 119.950 -0.070 0.000 2.113 138 F HA -0.106 4.423 4.527 0.003 0.000 0.297 138 F C 2.220 178.029 175.800 0.015 0.000 1.103 138 F CA 1.285 59.289 58.000 0.006 0.000 1.248 138 F CB -0.482 38.566 39.000 0.079 0.000 0.999 138 F HN 0.025 nan 8.300 nan 0.000 0.475 139 A N 0.481 123.247 122.820 -0.091 0.000 1.940 139 A HA -0.093 4.229 4.320 0.003 0.000 0.219 139 A C 2.408 179.896 177.584 -0.160 0.000 1.176 139 A CA 1.915 53.867 52.037 -0.143 0.000 0.631 139 A CB -1.573 17.429 19.000 0.003 0.000 0.814 139 A HN 0.528 nan 8.150 nan 0.000 0.446 140 A N -0.623 122.157 122.820 -0.067 0.000 1.930 140 A HA -0.091 4.230 4.320 0.003 0.000 0.217 140 A C 2.101 179.635 177.584 -0.084 0.000 1.175 140 A CA 1.608 53.626 52.037 -0.031 0.000 0.627 140 A CB -0.290 18.763 19.000 0.089 0.000 0.815 140 A HN 0.340 nan 8.150 nan 0.000 0.443 141 K N -0.331 119.997 120.400 -0.120 0.000 2.097 141 K HA -0.048 4.274 4.320 0.003 0.000 0.205 141 K C 1.972 178.457 176.600 -0.192 0.000 1.050 141 K CA 1.222 57.458 56.287 -0.086 0.000 0.938 141 K CB -0.723 31.743 32.500 -0.058 0.000 0.718 141 K HN 0.588 nan 8.250 nan 0.000 0.442 142 L N 0.882 121.846 121.223 -0.431 0.000 2.046 142 L HA -0.126 4.216 4.340 0.003 0.000 0.208 142 L C 2.211 178.824 176.870 -0.428 0.000 1.077 142 L CA 1.137 55.674 54.840 -0.504 0.000 0.747 142 L CB -0.178 41.467 42.059 -0.691 0.000 0.896 142 L HN 0.044 nan 8.230 nan 0.000 0.432 143 I N 0.051 120.449 120.570 -0.286 0.000 2.179 143 I HA -0.324 3.848 4.170 0.003 0.000 0.242 143 I C 2.561 178.581 176.117 -0.162 0.000 1.088 143 I CA 1.805 63.031 61.300 -0.124 0.000 1.357 143 I CB -0.378 37.610 38.000 -0.019 0.000 1.051 143 I HN 0.432 nan 8.210 nan 0.000 0.409 144 E N 1.090 121.178 120.200 -0.187 0.000 2.110 144 E HA -0.191 4.160 4.350 0.003 0.000 0.193 144 E C 2.266 178.552 176.600 -0.524 0.000 0.988 144 E CA 1.332 57.599 56.400 -0.222 0.000 0.804 144 E CB -0.211 29.459 29.700 -0.051 0.000 0.745 144 E HN 0.501 nan 8.360 nan 0.000 0.458 145 G N 0.414 108.811 108.800 -0.671 0.000 2.418 145 G HA2 -0.231 3.731 3.960 0.003 0.000 0.217 145 G HA3 -0.231 3.731 3.960 0.003 0.000 0.217 145 G C 1.631 176.266 174.900 -0.442 0.000 1.158 145 G CA 0.962 45.506 45.100 -0.927 0.000 0.771 145 G HN 0.239 nan 8.290 nan 0.000 0.545 146 V N 1.008 120.682 119.914 -0.401 0.000 2.358 146 V HA -0.081 4.040 4.120 0.003 0.000 0.246 146 V C 2.871 178.896 176.094 -0.115 0.000 1.047 146 V CA 1.237 63.331 62.300 -0.343 0.000 1.035 146 V CB -0.400 30.946 31.823 -0.795 0.000 0.658 146 V HN 0.340 nan 8.190 nan 0.000 0.452 147 L N 0.077 121.240 121.223 -0.099 0.000 2.131 147 L HA -0.192 4.150 4.340 0.003 0.000 0.210 147 L C 2.285 179.137 176.870 -0.030 0.000 1.092 147 L CA 1.883 56.711 54.840 -0.020 0.000 0.759 147 L CB -0.620 41.370 42.059 -0.116 0.000 0.903 147 L HN 0.411 nan 8.230 nan 0.000 0.435 148 D N -0.047 120.281 120.400 -0.120 0.000 2.117 148 D HA -0.237 4.405 4.640 0.003 0.000 0.198 148 D C 2.033 178.297 176.300 -0.060 0.000 0.982 148 D CA 0.971 54.946 54.000 -0.042 0.000 0.828 148 D CB -0.006 40.757 40.800 -0.061 0.000 0.967 148 D HN 0.207 nan 8.370 nan 0.000 0.464 149 F N 1.160 120.924 119.950 -0.311 0.000 2.146 149 F HA -0.050 4.479 4.527 0.003 0.000 0.298 149 F C 2.154 177.780 175.800 -0.290 0.000 1.096 149 F CA 1.254 58.935 58.000 -0.532 0.000 1.275 149 F CB -0.065 38.622 39.000 -0.522 0.000 1.008 149 F HN -0.170 nan 8.300 nan 0.000 0.480 150 K N 0.271 120.647 120.400 -0.040 0.000 2.209 150 K HA -0.185 4.136 4.320 0.003 0.000 0.204 150 K C 2.203 178.739 176.600 -0.107 0.000 1.048 150 K CA 1.504 57.766 56.287 -0.041 0.000 0.940 150 K CB -0.277 32.286 32.500 0.104 0.000 0.729 150 K HN 0.435 nan 8.250 nan 0.000 0.451 151 S N 0.513 116.158 115.700 -0.092 0.000 2.382 151 S HA -0.174 4.298 4.470 0.003 0.000 0.228 151 S C 1.986 176.499 174.600 -0.144 0.000 1.027 151 S CA 1.249 59.408 58.200 -0.068 0.000 0.991 151 S CB -0.294 62.894 63.200 -0.019 0.000 0.823 151 S HN 0.318 nan 8.310 nan 0.000 0.469 152 M N 0.676 120.110 119.600 -0.277 0.000 2.254 152 M HA 0.114 4.596 4.480 0.003 0.000 0.265 152 M C 2.133 178.240 176.300 -0.321 0.000 1.066 152 M CA 1.217 56.322 55.300 -0.324 0.000 1.123 152 M CB -0.532 31.765 32.600 -0.505 0.000 1.388 152 M HN 0.324 nan 8.290 nan 0.000 0.425 153 I N 0.207 120.535 120.570 -0.402 0.000 2.163 153 I HA -0.289 3.883 4.170 0.003 0.000 0.240 153 I C 1.907 177.954 176.117 -0.117 0.000 1.081 153 I CA 1.171 62.230 61.300 -0.402 0.000 1.353 153 I CB -0.561 37.150 38.000 -0.482 0.000 1.054 153 I HN 0.249 nan 8.210 nan 0.000 0.407 154 D N 0.970 121.324 120.400 -0.076 0.000 2.123 154 D HA -0.152 4.489 4.640 0.003 0.000 0.196 154 D C 1.555 177.871 176.300 0.027 0.000 0.992 154 D CA 1.203 55.208 54.000 0.010 0.000 0.833 154 D CB -0.412 40.380 40.800 -0.014 0.000 0.954 154 D HN 0.354 nan 8.370 nan 0.000 0.455 155 N N 0.793 119.485 118.700 -0.014 0.000 2.398 155 N HA -0.036 4.706 4.740 0.003 0.000 0.188 155 N C -0.240 175.274 175.510 0.006 0.000 1.122 155 N CA 0.117 53.163 53.050 -0.006 0.000 0.866 155 N CB 0.423 38.894 38.487 -0.026 0.000 0.970 155 N HN 0.298 nan 8.380 nan 0.000 0.462 156 E N -0.683 119.537 120.200 0.033 0.000 2.440 156 E HA -0.182 4.170 4.350 0.003 0.000 0.246 156 E C -0.090 176.503 176.600 -0.013 0.000 1.165 156 E CA 0.902 57.340 56.400 0.063 0.000 0.726 156 E CB -1.763 27.988 29.700 0.086 0.000 1.271 156 E HN 0.482 nan 8.360 nan 0.000 0.397 157 T N -2.599 111.908 114.554 -0.078 0.000 3.134 157 T HA 0.291 4.643 4.350 0.003 0.000 0.260 157 T C 0.417 175.022 174.700 -0.160 0.000 1.027 157 T CA -0.595 61.447 62.100 -0.096 0.000 0.913 157 T CB 0.249 69.067 68.868 -0.083 0.000 1.046 157 T HN 0.064 nan 8.240 nan 0.000 0.553 158 L N 3.620 124.707 121.223 -0.227 0.000 2.513 158 L HA 0.356 4.698 4.340 0.003 0.000 0.272 158 L C -2.155 174.569 176.870 -0.243 0.000 1.187 158 L CA -1.876 52.762 54.840 -0.337 0.000 0.895 158 L CB 0.026 41.788 42.059 -0.495 0.000 1.147 158 L HN 0.047 nan 8.230 nan 0.000 0.483 159 P HA 0.016 nan 4.420 nan 0.000 0.265 159 P C -0.844 176.345 177.300 -0.185 0.000 1.187 159 P CA -0.262 62.755 63.100 -0.138 0.000 0.766 159 P CB 0.368 32.026 31.700 -0.070 0.000 0.820 160 V N 3.243 123.029 119.914 -0.214 0.000 2.637 160 V HA 0.042 4.163 4.120 0.003 0.000 0.296 160 V C 0.789 176.644 176.094 -0.398 0.000 1.046 160 V CA 0.330 62.404 62.300 -0.378 0.000 1.066 160 V CB 0.154 31.707 31.823 -0.450 0.000 0.968 160 V HN 0.542 nan 8.190 nan 0.000 0.483 161 E N 3.020 122.971 120.200 -0.415 0.000 2.222 161 E HA 0.670 5.021 4.350 0.003 0.000 0.267 161 E C -1.482 174.775 176.600 -0.572 0.000 0.963 161 E CA -0.475 55.748 56.400 -0.295 0.000 0.837 161 E CB 2.008 31.688 29.700 -0.034 0.000 1.183 161 E HN 0.486 nan 8.360 nan 0.000 0.403 162 F N 0.678 120.661 119.950 0.055 0.000 2.603 162 F HA 0.552 5.080 4.527 0.003 0.000 0.317 162 F C -0.818 175.001 175.800 0.032 0.000 1.066 162 F CA -1.067 56.957 58.000 0.040 0.000 0.941 162 F CB 1.513 40.530 39.000 0.029 0.000 1.291 162 F HN 0.178 nan 8.300 nan 0.000 0.472 163 L N 1.649 123.003 121.223 0.218 0.000 2.676 163 L HA 0.618 4.959 4.340 0.003 0.000 0.262 163 L C -0.003 176.922 176.870 0.092 0.000 0.965 163 L CA 0.038 54.949 54.840 0.119 0.000 0.920 163 L CB 1.468 43.567 42.059 0.066 0.000 1.260 163 L HN 0.822 nan 8.230 nan 0.000 0.422 164 G N 2.938 111.784 108.800 0.078 0.000 2.147 164 G HA2 0.066 4.027 3.960 0.003 0.000 0.244 164 G HA3 0.066 4.027 3.960 0.003 0.000 0.244 164 G C 1.088 176.018 174.900 0.049 0.000 1.005 164 G CA 0.597 45.727 45.100 0.050 0.000 0.713 164 G HN 2.206 nan 8.290 nan 0.000 0.515 165 G N -1.970 106.870 108.800 0.068 0.000 2.143 165 G HA2 -0.178 3.783 3.960 0.003 0.000 0.248 165 G HA3 -0.178 3.783 3.960 0.003 0.000 0.248 165 G C 0.096 175.073 174.900 0.128 0.000 0.991 165 G CA 1.043 46.156 45.100 0.023 0.000 0.689 165 G HN 1.199 nan 8.290 nan 0.000 0.522 166 Q N -0.181 119.752 119.800 0.222 0.000 2.337 166 Q HA 0.439 4.781 4.340 0.003 0.000 0.266 166 Q C -2.662 173.508 176.000 0.283 0.000 1.023 166 Q CA -1.981 53.947 55.803 0.208 0.000 0.829 166 Q CB 2.387 31.140 28.738 0.026 0.000 1.306 166 Q HN 0.142 nan 8.270 nan 0.000 0.449 167 P HA 0.087 nan 4.420 nan 0.000 0.267 167 P C -0.571 176.700 177.300 -0.047 0.000 1.200 167 P CA 0.246 63.308 63.100 -0.064 0.000 0.772 167 P CB 0.538 32.292 31.700 0.090 0.000 0.855 168 L N 1.923 123.110 121.223 -0.060 0.000 2.334 168 L HA 0.420 4.762 4.340 0.003 0.000 0.273 168 L C 0.546 177.525 176.870 0.182 0.000 1.013 168 L CA -1.081 53.778 54.840 0.031 0.000 0.816 168 L CB 1.715 43.785 42.059 0.019 0.000 1.278 168 L HN 0.446 nan 8.230 nan 0.000 0.431 169 C N 3.886 123.262 119.300 0.127 0.000 2.642 169 C HA 0.110 4.572 4.460 0.003 0.000 0.420 169 C C 1.319 176.479 174.990 0.283 0.000 1.349 169 C CA -0.245 58.883 59.018 0.184 0.000 1.821 169 C CB -0.056 27.755 27.740 0.119 0.000 2.637 169 C HN 0.780 nan 8.230 nan 0.000 0.605 170 M N 4.983 124.843 119.600 0.434 0.000 2.346 170 M HA 0.099 4.581 4.480 0.003 0.000 0.280 170 M C 1.462 178.085 176.300 0.538 0.000 1.075 170 M CA 0.232 55.846 55.300 0.523 0.000 0.989 170 M CB -1.582 31.327 32.600 0.516 0.000 1.447 170 M HN 0.898 nan 8.290 nan 0.000 0.511 171 N N 1.498 120.460 118.700 0.438 0.000 2.149 171 N HA -0.189 4.553 4.740 0.003 0.000 0.188 171 N C 1.580 177.253 175.510 0.271 0.000 1.019 171 N CA 1.714 54.993 53.050 0.381 0.000 0.857 171 N CB 0.123 38.739 38.487 0.215 0.000 0.997 171 N HN 0.423 nan 8.380 nan 0.000 0.426 172 Q N -1.341 118.522 119.800 0.106 0.000 2.181 172 Q HA -0.189 4.152 4.340 0.003 0.000 0.205 172 Q C 1.274 177.218 176.000 -0.093 0.000 0.980 172 Q CA 1.410 57.185 55.803 -0.047 0.000 0.862 172 Q CB -0.207 28.415 28.738 -0.193 0.000 0.905 172 Q HN 0.607 nan 8.270 nan 0.000 0.429 173 Y N -1.633 118.696 120.300 0.048 0.000 2.421 173 Y HA -0.175 4.377 4.550 0.003 0.000 0.292 173 Y C 0.883 176.602 175.900 -0.302 0.000 1.136 173 Y CA 0.781 58.810 58.100 -0.117 0.000 1.255 173 Y CB 0.027 38.361 38.460 -0.210 0.000 0.991 173 Y HN 0.170 nan 8.280 nan 0.000 0.552 174 Y N -0.558 119.805 120.300 0.105 0.000 2.532 174 Y HA 0.087 4.639 4.550 0.003 0.000 0.283 174 Y C 1.291 177.231 175.900 0.067 0.000 1.181 174 Y CA -0.208 57.930 58.100 0.063 0.000 1.256 174 Y CB 0.157 38.633 38.460 0.028 0.000 1.112 174 Y HN 0.114 nan 8.280 nan 0.000 0.521 175 Q N -0.673 119.200 119.800 0.121 0.000 2.210 175 Q HA 0.198 4.540 4.340 0.003 0.000 0.252 175 Q C 1.944 177.987 176.000 0.071 0.000 0.811 175 Q CA 0.421 56.280 55.803 0.094 0.000 0.953 175 Q CB 0.482 29.265 28.738 0.075 0.000 1.136 175 Q HN 0.683 nan 8.270 nan 0.000 0.491 176 I N -2.579 118.020 120.570 0.049 0.000 2.716 176 I HA 0.114 4.285 4.170 0.003 0.000 0.259 176 I C 0.635 176.817 176.117 0.108 0.000 1.172 176 I CA 0.394 61.724 61.300 0.049 0.000 1.478 176 I CB 0.061 38.054 38.000 -0.010 0.000 1.104 176 I HN -0.131 nan 8.210 nan 0.000 0.439 177 L N 1.457 122.755 121.223 0.125 0.000 2.360 177 L HA 0.349 4.691 4.340 0.003 0.000 0.271 177 L C 0.761 177.740 176.870 0.181 0.000 1.057 177 L CA -0.695 54.253 54.840 0.180 0.000 0.803 177 L CB 1.453 43.617 42.059 0.175 0.000 1.207 177 L HN 0.172 nan 8.230 nan 0.000 0.445 178 S N 0.369 116.187 115.700 0.198 0.000 3.549 178 S HA -0.166 4.305 4.470 0.003 0.000 0.366 178 S C 0.024 174.806 174.600 0.303 0.000 1.012 178 S CA 0.935 59.257 58.200 0.205 0.000 1.141 178 S CB -1.431 61.887 63.200 0.197 0.000 0.910 178 S HN 0.882 nan 8.310 nan 0.000 0.471 179 S N -1.493 114.356 115.700 0.249 0.000 2.667 179 S HA 0.898 5.369 4.470 0.003 0.000 0.292 179 S C -0.462 174.280 174.600 0.236 0.000 1.126 179 S CA -0.369 57.971 58.200 0.233 0.000 0.881 179 S CB 2.629 65.915 63.200 0.143 0.000 1.132 179 S HN 0.935 nan 8.310 nan 0.000 0.492 180 C N 0.567 119.997 119.300 0.217 0.000 3.283 180 C HA 0.661 5.123 4.460 0.003 0.000 0.359 180 C C -0.683 174.416 174.990 0.181 0.000 1.160 180 C CA -0.487 58.671 59.018 0.233 0.000 1.232 180 C CB 1.406 29.321 27.740 0.292 0.000 1.571 180 C HN 1.222 nan 8.230 nan 0.000 0.522 181 R N 2.540 123.148 120.500 0.180 0.000 2.500 181 R HA 0.785 5.127 4.340 0.003 0.000 0.275 181 R C -1.317 175.042 176.300 0.098 0.000 1.051 181 R CA -0.174 55.997 56.100 0.119 0.000 1.088 181 R CB 0.999 31.367 30.300 0.113 0.000 1.063 181 R HN 0.614 nan 8.270 nan 0.000 0.511 182 V N 5.856 125.770 119.914 -0.000 0.000 2.531 182 V HA 0.393 4.515 4.120 0.003 0.000 0.301 182 V C -2.195 173.752 176.094 -0.244 0.000 1.034 182 V CA -1.922 60.283 62.300 -0.157 0.000 0.865 182 V CB 1.711 33.472 31.823 -0.103 0.000 0.995 182 V HN 0.881 nan 8.190 nan 0.000 0.424 183 P HA 0.319 nan 4.420 nan 0.000 0.276 183 P C -0.147 176.979 177.300 -0.291 0.000 1.230 183 P CA 0.313 63.172 63.100 -0.402 0.000 0.776 183 P CB 1.565 32.813 31.700 -0.753 0.000 0.888 184 G N 2.858 111.568 108.800 -0.150 0.000 2.519 184 G HA2 0.493 4.454 3.960 0.003 0.000 0.307 184 G HA3 0.493 4.454 3.960 0.003 0.000 0.307 184 G C -1.946 172.923 174.900 -0.051 0.000 1.266 184 G CA -1.517 43.536 45.100 -0.079 0.000 0.970 184 G HN 0.189 nan 8.290 nan 0.000 0.481 185 P HA -0.115 nan 4.420 nan 0.000 0.217 185 P C 1.099 178.400 177.300 0.000 0.000 1.150 185 P CA 1.227 64.322 63.100 -0.008 0.000 0.832 185 P CB 0.595 32.295 31.700 -0.001 0.000 0.787 186 K N -0.532 119.867 120.400 -0.001 0.000 2.240 186 K HA 0.039 4.361 4.320 0.003 0.000 0.202 186 K C 1.131 177.732 176.600 0.001 0.000 1.053 186 K CA 0.342 56.631 56.287 0.005 0.000 0.973 186 K CB 0.491 32.995 32.500 0.008 0.000 0.924 186 K HN 0.204 nan 8.250 nan 0.000 0.477 187 Q N 0.165 119.963 119.800 -0.004 0.000 2.511 187 Q HA 0.325 4.667 4.340 0.003 0.000 0.289 187 Q C -1.615 174.377 176.000 -0.014 0.000 1.021 187 Q CA -1.117 54.683 55.803 -0.005 0.000 0.785 187 Q CB 1.772 30.515 28.738 0.008 0.000 1.472 187 Q HN -0.155 nan 8.270 nan 0.000 0.411 188 D N 0.892 121.285 120.400 -0.012 0.000 2.423 188 D HA 0.560 5.202 4.640 0.003 0.000 0.255 188 D C -0.429 175.869 176.300 -0.003 0.000 1.174 188 D CA -0.078 53.910 54.000 -0.021 0.000 1.008 188 D CB 1.500 42.292 40.800 -0.012 0.000 1.101 188 D HN 0.662 nan 8.370 nan 0.000 0.516 189 S N -1.383 114.311 115.700 -0.010 0.000 2.697 189 S HA 0.800 5.272 4.470 0.003 0.000 0.289 189 S C -1.065 173.542 174.600 0.011 0.000 1.149 189 S CA -0.774 57.428 58.200 0.003 0.000 0.850 189 S CB 1.344 64.542 63.200 -0.002 0.000 1.151 189 S HN 0.153 nan 8.310 nan 0.000 0.491 190 V N 1.162 121.083 119.914 0.012 0.000 2.789 190 V HA 0.706 4.827 4.120 0.003 0.000 0.311 190 V C -0.549 175.532 176.094 -0.022 0.000 1.073 190 V CA -0.650 61.661 62.300 0.018 0.000 0.921 190 V CB 1.814 33.654 31.823 0.028 0.000 1.009 190 V HN 1.105 nan 8.190 nan 0.000 0.426 191 V N 1.392 121.287 119.914 -0.031 0.000 2.581 191 V HA 0.687 4.809 4.120 0.003 0.000 0.303 191 V C -0.485 175.448 176.094 -0.268 0.000 1.041 191 V CA -0.590 61.587 62.300 -0.205 0.000 0.907 191 V CB 1.632 33.346 31.823 -0.182 0.000 0.994 191 V HN 0.947 nan 8.190 nan 0.000 0.442 192 N N 2.199 120.622 118.700 -0.462 0.000 2.504 192 N HA 0.554 5.296 4.740 0.003 0.000 0.280 192 N C -0.787 174.487 175.510 -0.393 0.000 1.052 192 N CA -0.631 52.265 53.050 -0.257 0.000 0.887 192 N CB 1.424 39.862 38.487 -0.082 0.000 1.323 192 N HN 0.683 nan 8.380 nan 0.000 0.509 193 F N 2.652 122.643 119.950 0.069 0.000 2.653 193 F HA 0.204 4.733 4.527 0.003 0.000 0.304 193 F C 1.626 177.462 175.800 0.060 0.000 1.092 193 F CA -0.454 57.582 58.000 0.060 0.000 1.279 193 F CB 0.244 39.277 39.000 0.055 0.000 1.044 193 F HN 0.452 nan 8.300 nan 0.000 0.564 194 L N 1.011 122.354 121.223 0.199 0.000 2.081 194 L HA -0.185 4.156 4.340 0.003 0.000 0.212 194 L C 1.345 178.296 176.870 0.135 0.000 1.080 194 L CA 2.098 57.033 54.840 0.159 0.000 0.754 194 L CB -0.383 41.767 42.059 0.151 0.000 0.893 194 L HN 0.028 nan 8.230 nan 0.000 0.433 195 K N -0.674 119.799 120.400 0.122 0.000 2.618 195 K HA 0.217 4.538 4.320 0.003 0.000 0.207 195 K C 0.416 177.068 176.600 0.085 0.000 1.058 195 K CA 0.201 56.546 56.287 0.097 0.000 1.086 195 K CB 0.276 32.830 32.500 0.090 0.000 0.827 195 K HN 0.388 nan 8.250 nan 0.000 0.481 196 S N 0.157 115.926 115.700 0.116 0.000 2.600 196 S HA 0.160 4.632 4.470 0.003 0.000 0.265 196 S C 1.261 175.914 174.600 0.088 0.000 1.325 196 S CA -0.661 57.611 58.200 0.120 0.000 1.002 196 S CB 1.195 64.525 63.200 0.217 0.000 0.921 196 S HN 0.004 nan 8.310 nan 0.000 0.554 197 K N 1.125 121.569 120.400 0.074 0.000 2.127 197 K HA -0.166 4.155 4.320 0.003 0.000 0.208 197 K C 0.840 177.466 176.600 0.044 0.000 1.047 197 K CA 1.571 57.888 56.287 0.051 0.000 0.927 197 K CB -0.490 32.037 32.500 0.044 0.000 0.716 197 K HN 0.871 nan 8.250 nan 0.000 0.450 198 R N 0.766 121.300 120.500 0.057 0.000 2.587 198 R HA 0.353 4.695 4.340 0.003 0.000 0.283 198 R C -2.828 173.504 176.300 0.054 0.000 1.472 198 R CA -1.700 54.424 56.100 0.040 0.000 1.578 198 R CB 0.360 30.679 30.300 0.032 0.000 1.130 198 R HN -0.202 nan 8.270 nan 0.000 0.602 199 P HA 0.044 nan 4.420 nan 0.000 0.264 199 P C -2.287 175.037 177.300 0.040 0.000 1.183 199 P CA -0.693 62.443 63.100 0.059 0.000 0.763 199 P CB 0.198 31.914 31.700 0.026 0.000 0.807 200 P HA 0.011 nan 4.420 nan 0.000 0.266 200 P C 0.500 177.841 177.300 0.068 0.000 1.195 200 P CA 0.390 63.524 63.100 0.057 0.000 0.768 200 P CB 0.252 31.926 31.700 -0.043 0.000 0.838 201 T N -2.060 112.587 114.554 0.154 0.000 3.145 201 T HA 0.211 4.563 4.350 0.003 0.000 0.281 201 T C 0.098 174.955 174.700 0.262 0.000 1.003 201 T CA -0.356 61.899 62.100 0.259 0.000 0.901 201 T CB -0.871 68.121 68.868 0.206 0.000 1.112 201 T HN 0.614 nan 8.240 nan 0.000 0.535 202 H N 0.237 119.320 119.070 0.022 0.000 2.747 202 H HA 0.795 5.352 4.556 0.003 0.000 0.371 202 H C -0.396 174.840 175.328 -0.153 0.000 1.161 202 H CA -1.516 54.491 56.048 -0.068 0.000 1.167 202 H CB 1.435 31.157 29.762 -0.066 0.000 1.732 202 H HN 0.334 nan 8.280 nan 0.000 0.544 203 I N -0.389 119.994 120.570 -0.312 0.000 3.100 203 I HA 0.707 4.879 4.170 0.003 0.000 0.312 203 I C -0.669 175.354 176.117 -0.157 0.000 1.063 203 I CA -1.085 59.921 61.300 -0.489 0.000 1.031 203 I CB 2.495 39.992 38.000 -0.838 0.000 1.243 203 I HN 0.803 nan 8.210 nan 0.000 0.483 204 T N 0.464 114.965 114.554 -0.088 0.000 2.885 204 T HA 0.752 5.104 4.350 0.003 0.000 0.285 204 T C -0.555 174.240 174.700 0.157 0.000 1.019 204 T CA -0.708 61.462 62.100 0.118 0.000 1.010 204 T CB 1.812 70.789 68.868 0.182 0.000 1.022 204 T HN 0.491 nan 8.240 nan 0.000 0.466 205 V N 2.254 122.303 119.914 0.226 0.000 2.588 205 V HA 0.687 4.809 4.120 0.003 0.000 0.304 205 V C -0.524 175.705 176.094 0.224 0.000 1.042 205 V CA -0.907 61.506 62.300 0.187 0.000 0.877 205 V CB 1.750 33.629 31.823 0.094 0.000 0.996 205 V HN 0.891 nan 8.190 nan 0.000 0.425 206 V N 4.762 124.736 119.914 0.099 0.000 2.495 206 V HA 0.751 4.873 4.120 0.003 0.000 0.298 206 V C -1.246 174.862 176.094 0.023 0.000 1.031 206 V CA -0.179 62.057 62.300 -0.106 0.000 0.871 206 V CB 1.733 33.207 31.823 -0.581 0.000 0.988 206 V HN 1.056 nan 8.190 nan 0.000 0.432 207 H N 5.839 124.852 119.070 -0.094 0.000 2.877 207 H HA 0.475 5.033 4.556 0.003 0.000 0.347 207 H C 0.260 175.462 175.328 -0.209 0.000 1.042 207 H CA -0.339 55.603 56.048 -0.177 0.000 1.276 207 H CB 1.062 30.650 29.762 -0.291 0.000 1.681 207 H HN 0.755 nan 8.280 nan 0.000 0.521 208 N N 4.766 123.005 118.700 -0.768 0.000 2.721 208 N HA -0.260 4.482 4.740 0.003 0.000 0.249 208 N C -0.422 174.769 175.510 -0.531 0.000 1.072 208 N CA 1.636 54.186 53.050 -0.834 0.000 0.710 208 N CB -1.516 36.436 38.487 -0.891 0.000 0.993 208 N HN 0.974 nan 8.380 nan 0.000 0.547 209 Y N -4.077 116.092 120.300 -0.218 0.000 4.936 209 Y HA -0.374 4.177 4.550 0.002 0.000 0.260 209 Y C 0.551 176.352 175.900 -0.166 0.000 0.928 209 Y CA 0.528 58.526 58.100 -0.169 0.000 1.869 209 Y CB -1.499 36.919 38.460 -0.070 0.000 1.344 209 Y HN 0.315 nan 8.280 nan 0.000 0.521 210 Q N 0.817 120.605 119.800 -0.020 0.000 2.278 210 Q HA 0.505 4.847 4.340 0.003 0.000 0.257 210 Q C -0.748 175.247 176.000 -0.009 0.000 0.928 210 Q CA -0.568 55.262 55.803 0.045 0.000 0.932 210 Q CB 0.903 29.706 28.738 0.108 0.000 1.221 210 Q HN 0.119 nan 8.270 nan 0.000 0.434 211 F N 1.985 121.986 119.950 0.085 0.000 2.399 211 F HA 0.492 5.021 4.527 0.003 0.000 0.334 211 F C -0.317 175.374 175.800 -0.181 0.000 1.097 211 F CA -0.376 57.679 58.000 0.092 0.000 1.076 211 F CB 0.753 39.802 39.000 0.082 0.000 1.162 211 F HN 0.390 nan 8.300 nan 0.000 0.495 212 F N 0.480 120.542 119.950 0.187 0.000 2.565 212 F HA 0.300 4.828 4.527 0.002 0.000 0.313 212 F C -0.210 175.631 175.800 0.068 0.000 1.091 212 F CA -1.212 56.837 58.000 0.082 0.000 0.915 212 F CB 1.850 40.875 39.000 0.042 0.000 1.208 212 F HN 0.371 nan 8.300 nan 0.000 0.453 213 E N 3.198 123.496 120.200 0.163 0.000 2.130 213 E HA 0.463 4.815 4.350 0.003 0.000 0.284 213 E C -1.747 174.911 176.600 0.097 0.000 1.018 213 E CA -0.679 55.776 56.400 0.091 0.000 0.817 213 E CB 1.010 30.650 29.700 -0.101 0.000 1.078 213 E HN 0.564 nan 8.360 nan 0.000 0.396 214 L N 5.513 126.805 121.223 0.113 0.000 2.343 214 L HA 0.377 4.719 4.340 0.003 0.000 0.278 214 L C -1.061 175.828 176.870 0.031 0.000 0.996 214 L CA -0.542 54.326 54.840 0.046 0.000 0.831 214 L CB 1.519 43.579 42.059 0.002 0.000 1.232 214 L HN 0.473 nan 8.230 nan 0.000 0.413 215 D N 3.848 124.261 120.400 0.021 0.000 2.390 215 D HA 0.166 4.807 4.640 0.003 0.000 0.249 215 D C 0.821 177.074 176.300 -0.079 0.000 1.144 215 D CA 0.280 54.294 54.000 0.023 0.000 0.880 215 D CB 2.074 42.892 40.800 0.030 0.000 1.182 215 D HN 0.501 nan 8.370 nan 0.000 0.451 216 V N 0.362 120.184 119.914 -0.153 0.000 3.276 216 V HA 0.313 4.434 4.120 0.003 0.000 0.319 216 V C -0.633 175.103 176.094 -0.598 0.000 1.427 216 V CA -0.211 61.867 62.300 -0.370 0.000 1.102 216 V CB -0.832 30.719 31.823 -0.453 0.000 1.020 216 V HN 0.270 nan 8.190 nan 0.000 0.456 217 Y N -0.333 119.871 120.300 -0.159 0.000 2.512 217 Y HA 0.708 5.259 4.550 0.003 0.000 0.348 217 Y C 0.523 176.320 175.900 -0.172 0.000 0.990 217 Y CA -1.101 56.901 58.100 -0.164 0.000 1.033 217 Y CB 1.370 39.796 38.460 -0.057 0.000 1.259 217 Y HN 0.127 nan 8.280 nan 0.000 0.461 218 H N 0.132 119.308 119.070 0.177 0.000 2.547 218 H HA 0.093 4.651 4.556 0.003 0.000 0.362 218 H C 1.096 176.478 175.328 0.090 0.000 1.181 218 H CA 0.559 56.667 56.048 0.100 0.000 1.376 218 H CB 1.523 31.328 29.762 0.072 0.000 1.488 218 H HN 0.787 nan 8.280 nan 0.000 0.583 219 S N 0.238 116.058 115.700 0.200 0.000 2.465 219 S HA -0.192 4.280 4.470 0.003 0.000 0.241 219 S C 1.181 175.835 174.600 0.091 0.000 1.000 219 S CA 1.407 59.673 58.200 0.111 0.000 0.964 219 S CB -0.132 63.114 63.200 0.077 0.000 0.763 219 S HN 0.777 nan 8.310 nan 0.000 0.512 220 D N 0.346 120.816 120.400 0.117 0.000 2.348 220 D HA 0.170 4.811 4.640 0.003 0.000 0.211 220 D C 1.509 177.857 176.300 0.080 0.000 0.998 220 D CA 0.900 54.948 54.000 0.080 0.000 0.873 220 D CB -0.346 40.494 40.800 0.067 0.000 0.925 220 D HN 0.622 nan 8.370 nan 0.000 0.524 221 G N 0.434 109.299 108.800 0.108 0.000 2.238 221 G HA2 -0.243 3.718 3.960 0.003 0.000 0.217 221 G HA3 -0.243 3.718 3.960 0.003 0.000 0.217 221 G C 0.544 175.530 174.900 0.143 0.000 0.996 221 G CA 0.287 45.425 45.100 0.064 0.000 0.632 221 G HN 0.712 nan 8.290 nan 0.000 0.503 222 T N 1.131 115.812 114.554 0.211 0.000 2.913 222 T HA 0.610 4.961 4.350 0.003 0.000 0.297 222 T C -2.109 172.775 174.700 0.307 0.000 1.029 222 T CA -0.949 61.303 62.100 0.254 0.000 1.104 222 T CB 2.384 71.395 68.868 0.238 0.000 0.964 222 T HN 0.295 nan 8.240 nan 0.000 0.532 223 P HA 0.333 nan 4.420 nan 0.000 0.281 223 P C -0.498 176.707 177.300 -0.157 0.000 1.249 223 P CA -0.786 62.279 63.100 -0.060 0.000 0.810 223 P CB 0.733 32.379 31.700 -0.090 0.000 1.008 224 L N 2.102 123.101 121.223 -0.372 0.000 2.467 224 L HA 0.194 4.536 4.340 0.003 0.000 0.270 224 L C 1.614 178.438 176.870 -0.076 0.000 1.205 224 L CA 0.886 55.565 54.840 -0.267 0.000 0.828 224 L CB -0.313 41.571 42.059 -0.291 0.000 1.101 224 L HN 0.511 nan 8.230 nan 0.000 0.479 225 T N -2.180 112.390 114.554 0.026 0.000 2.881 225 T HA 0.264 4.615 4.350 0.003 0.000 0.278 225 T C 1.281 176.000 174.700 0.032 0.000 0.982 225 T CA -0.134 61.993 62.100 0.045 0.000 0.989 225 T CB 0.906 69.817 68.868 0.073 0.000 1.058 225 T HN 0.644 nan 8.240 nan 0.000 0.529 226 S N 0.537 116.265 115.700 0.046 0.000 2.383 226 S HA -0.204 4.268 4.470 0.003 0.000 0.229 226 S C 1.201 175.843 174.600 0.070 0.000 1.030 226 S CA 1.592 59.818 58.200 0.044 0.000 1.002 226 S CB -0.916 62.311 63.200 0.045 0.000 0.829 226 S HN 0.801 nan 8.310 nan 0.000 0.467 227 D N 1.800 122.237 120.400 0.062 0.000 2.097 227 D HA -0.071 4.571 4.640 0.003 0.000 0.197 227 D C 2.379 178.761 176.300 0.138 0.000 0.984 227 D CA 1.486 55.540 54.000 0.089 0.000 0.826 227 D CB -0.372 40.457 40.800 0.049 0.000 0.973 227 D HN 0.558 nan 8.370 nan 0.000 0.460 228 Q N -0.013 119.842 119.800 0.091 0.000 2.084 228 Q HA -0.087 4.255 4.340 0.003 0.000 0.202 228 Q C 2.332 178.356 176.000 0.041 0.000 0.978 228 Q CA 0.824 56.672 55.803 0.074 0.000 0.844 228 Q CB -0.086 28.702 28.738 0.083 0.000 0.898 228 Q HN 0.378 nan 8.270 nan 0.000 0.426 229 I N 0.061 120.647 120.570 0.026 0.000 2.226 229 I HA -0.260 3.912 4.170 0.003 0.000 0.245 229 I C 2.179 178.299 176.117 0.006 0.000 1.100 229 I CA 0.967 62.260 61.300 -0.013 0.000 1.374 229 I CB -0.276 37.707 38.000 -0.029 0.000 1.057 229 I HN 0.168 nan 8.210 nan 0.000 0.413 230 F N 1.534 121.446 119.950 -0.063 0.000 2.095 230 F HA -0.219 4.310 4.527 0.003 0.000 0.298 230 F C 2.341 178.099 175.800 -0.070 0.000 1.104 230 F CA 1.640 59.596 58.000 -0.073 0.000 1.232 230 F CB -0.486 38.474 39.000 -0.067 0.000 0.987 230 F HN -0.228 nan 8.300 nan 0.000 0.475 231 V N 0.648 120.492 119.914 -0.116 0.000 2.392 231 V HA -0.303 3.818 4.120 0.003 0.000 0.249 231 V C 2.451 178.409 176.094 -0.227 0.000 1.059 231 V CA 2.008 64.194 62.300 -0.191 0.000 1.051 231 V CB -0.740 31.075 31.823 -0.014 0.000 0.658 231 V HN 0.397 nan 8.190 nan 0.000 0.455 232 Q N -0.443 119.260 119.800 -0.162 0.000 2.083 232 Q HA -0.041 4.301 4.340 0.003 0.000 0.198 232 Q C 2.302 178.180 176.000 -0.203 0.000 0.969 232 Q CA 1.352 57.070 55.803 -0.143 0.000 0.838 232 Q CB -0.374 28.308 28.738 -0.094 0.000 0.900 232 Q HN 0.543 nan 8.270 nan 0.000 0.436 233 L N 0.615 121.691 121.223 -0.244 0.000 2.131 233 L HA -0.182 4.160 4.340 0.003 0.000 0.210 233 L C 2.445 179.133 176.870 -0.304 0.000 1.092 233 L CA 1.087 55.777 54.840 -0.251 0.000 0.759 233 L CB -0.351 41.577 42.059 -0.218 0.000 0.903 233 L HN 0.291 nan 8.230 nan 0.000 0.435 234 E N 0.622 120.549 120.200 -0.455 0.000 2.051 234 E HA -0.234 4.117 4.350 0.003 0.000 0.192 234 E C 2.152 178.626 176.600 -0.210 0.000 0.991 234 E CA 1.263 57.408 56.400 -0.424 0.000 0.799 234 E CB 0.175 29.529 29.700 -0.577 0.000 0.748 234 E HN 0.383 nan 8.360 nan 0.000 0.449 235 K N 0.209 120.491 120.400 -0.197 0.000 2.026 235 K HA -0.134 4.188 4.320 0.003 0.000 0.208 235 K C 2.229 178.722 176.600 -0.179 0.000 1.048 235 K CA 1.468 57.676 56.287 -0.132 0.000 0.929 235 K CB -0.196 32.242 32.500 -0.104 0.000 0.713 235 K HN 0.213 nan 8.250 nan 0.000 0.439 236 I N 0.323 120.710 120.570 -0.305 0.000 2.163 236 I HA -0.310 3.861 4.170 0.003 0.000 0.243 236 I C 2.418 178.232 176.117 -0.505 0.000 1.085 236 I CA 1.179 62.083 61.300 -0.659 0.000 1.347 236 I CB -0.347 37.254 38.000 -0.664 0.000 1.044 236 I HN 0.443 nan 8.210 nan 0.000 0.408 237 W N 2.487 123.520 121.300 -0.445 0.000 2.355 237 W HA -0.204 4.458 4.660 0.003 0.000 0.309 237 W C 2.251 178.670 176.519 -0.166 0.000 1.206 237 W CA 1.567 58.690 57.345 -0.371 0.000 1.284 237 W CB -0.523 28.689 29.460 -0.413 0.000 1.145 237 W HN 0.231 nan 8.180 nan 0.000 0.502 238 N N 0.209 119.000 118.700 0.152 0.000 2.381 238 N HA -0.118 4.624 4.740 0.003 0.000 0.182 238 N C 1.588 177.129 175.510 0.052 0.000 1.025 238 N CA 1.547 54.670 53.050 0.122 0.000 0.888 238 N CB -0.587 37.943 38.487 0.072 0.000 0.965 238 N HN 0.000 nan 8.380 nan 0.000 0.438 239 S N -0.235 115.472 115.700 0.012 0.000 2.593 239 S HA 0.035 4.507 4.470 0.003 0.000 0.217 239 S C 0.911 175.625 174.600 0.191 0.000 0.966 239 S CA 0.034 58.298 58.200 0.108 0.000 0.914 239 S CB 0.137 63.454 63.200 0.195 0.000 0.776 239 S HN 0.403 nan 8.310 nan 0.000 0.523 240 S N 0.147 115.894 115.700 0.079 0.000 2.825 240 S HA 0.377 4.849 4.470 0.003 0.000 0.242 240 S C 0.606 175.138 174.600 -0.115 0.000 0.980 240 S CA -0.465 57.776 58.200 0.069 0.000 1.107 240 S CB -0.586 62.733 63.200 0.197 0.000 1.172 240 S HN 0.247 nan 8.310 nan 0.000 0.483 241 L N 0.939 122.110 121.223 -0.088 0.000 2.217 241 L HA 0.041 4.383 4.340 0.003 0.000 0.211 241 L C 1.430 178.220 176.870 -0.133 0.000 1.107 241 L CA 0.564 55.338 54.840 -0.109 0.000 0.783 241 L CB -0.234 41.829 42.059 0.007 0.000 0.919 241 L HN 0.576 nan 8.230 nan 0.000 0.442 242 Q N 0.200 119.935 119.800 -0.108 0.000 2.288 242 Q HA 0.073 4.415 4.340 0.003 0.000 0.254 242 Q C -0.073 175.816 176.000 -0.185 0.000 0.932 242 Q CA 0.076 55.814 55.803 -0.109 0.000 0.902 242 Q CB 1.719 30.425 28.738 -0.053 0.000 1.203 242 Q HN -0.092 nan 8.270 nan 0.000 0.415 243 S N 2.531 118.112 115.700 -0.200 0.000 2.438 243 S HA 0.108 4.580 4.470 0.003 0.000 0.227 243 S C 0.404 174.907 174.600 -0.161 0.000 1.265 243 S CA -0.400 57.626 58.200 -0.290 0.000 1.265 243 S CB -0.416 62.564 63.200 -0.366 0.000 0.987 243 S HN 0.697 nan 8.310 nan 0.000 0.502 244 N N 0.697 119.346 118.700 -0.084 0.000 2.454 244 N HA 0.049 4.791 4.740 0.003 0.000 0.177 244 N C -0.123 175.405 175.510 0.030 0.000 1.049 244 N CA -0.158 52.881 53.050 -0.019 0.000 0.887 244 N CB -0.174 38.305 38.487 -0.013 0.000 1.095 244 N HN 0.143 nan 8.380 nan 0.000 0.446 245 K N 2.011 122.435 120.400 0.040 0.000 2.469 245 K HA 0.032 4.354 4.320 0.003 0.000 0.274 245 K C 0.379 177.074 176.600 0.158 0.000 0.983 245 K CA 0.177 56.521 56.287 0.095 0.000 0.974 245 K CB 0.628 33.192 32.500 0.107 0.000 0.913 245 K HN 0.231 nan 8.250 nan 0.000 0.493 246 E N 3.166 123.442 120.200 0.128 0.000 2.392 246 E HA 0.035 4.387 4.350 0.003 0.000 0.264 246 E C -1.911 174.745 176.600 0.093 0.000 1.024 246 E CA -1.699 54.759 56.400 0.096 0.000 0.903 246 E CB 0.233 29.963 29.700 0.050 0.000 0.963 246 E HN 0.265 nan 8.360 nan 0.000 0.432 247 P HA 0.056 nan 4.420 nan 0.000 0.225 247 P C 0.867 178.076 177.300 -0.152 0.000 1.813 247 P CA -0.001 62.951 63.100 -0.246 0.000 1.013 247 P CB 0.036 31.301 31.700 -0.725 0.000 1.961 248 V N 2.195 122.069 119.914 -0.067 0.000 2.370 248 V HA -0.240 3.882 4.120 0.003 0.000 0.252 248 V C 2.806 178.818 176.094 -0.137 0.000 1.068 248 V CA 2.670 64.875 62.300 -0.159 0.000 1.061 248 V CB -1.608 29.942 31.823 -0.454 0.000 0.656 248 V HN 0.413 nan 8.190 nan 0.000 0.455 249 G N -0.673 108.169 108.800 0.071 0.000 2.462 249 G HA2 -0.272 3.690 3.960 0.003 0.000 0.220 249 G HA3 -0.272 3.690 3.960 0.003 0.000 0.220 249 G C 1.589 176.347 174.900 -0.237 0.000 1.121 249 G CA 0.842 45.979 45.100 0.061 0.000 0.758 249 G HN 0.541 nan 8.290 nan 0.000 0.559 250 I N 0.354 120.797 120.570 -0.212 0.000 2.700 250 I HA -0.059 4.113 4.170 0.003 0.000 0.261 250 I C 2.359 178.273 176.117 -0.338 0.000 1.219 250 I CA 0.349 61.527 61.300 -0.203 0.000 1.463 250 I CB 0.071 37.957 38.000 -0.190 0.000 1.092 250 I HN 0.158 nan 8.210 nan 0.000 0.452 251 L N 0.211 121.135 121.223 -0.499 0.000 2.131 251 L HA -0.204 4.138 4.340 0.003 0.000 0.210 251 L C 2.488 178.611 176.870 -1.245 0.000 1.092 251 L CA 1.853 56.271 54.840 -0.703 0.000 0.759 251 L CB -1.074 40.566 42.059 -0.698 0.000 0.903 251 L HN 0.424 nan 8.230 nan 0.000 0.435 252 T N -4.035 109.666 114.554 -1.421 0.000 3.155 252 T HA -0.078 4.274 4.350 0.003 0.000 0.264 252 T C 1.654 175.956 174.700 -0.664 0.000 1.160 252 T CA 0.880 62.113 62.100 -1.446 0.000 1.075 252 T CB -0.284 67.929 68.868 -1.092 0.000 0.921 252 T HN 0.423 nan 8.240 nan 0.000 0.533 253 S N -0.352 115.068 115.700 -0.466 0.000 2.556 253 S HA 0.210 4.682 4.470 0.003 0.000 0.216 253 S C 0.720 175.152 174.600 -0.278 0.000 0.970 253 S CA -0.725 57.247 58.200 -0.380 0.000 0.912 253 S CB -0.310 62.691 63.200 -0.332 0.000 0.790 253 S HN 0.385 nan 8.310 nan 0.000 0.504 254 N N 1.808 120.358 118.700 -0.250 0.000 2.413 254 N HA 0.190 4.931 4.740 0.003 0.000 0.266 254 N C -0.383 175.122 175.510 -0.008 0.000 1.238 254 N CA -0.347 52.648 53.050 -0.090 0.000 0.972 254 N CB 0.443 38.908 38.487 -0.036 0.000 1.210 254 N HN 0.451 nan 8.380 nan 0.000 0.547 255 H N 0.869 119.912 119.070 -0.046 0.000 3.038 255 H HA 0.003 4.561 4.556 0.003 0.000 0.338 255 H C 1.208 176.543 175.328 0.012 0.000 1.041 255 H CA 0.361 56.376 56.048 -0.054 0.000 1.394 255 H CB 0.736 30.459 29.762 -0.064 0.000 1.357 255 H HN 0.332 nan 8.280 nan 0.000 0.600 256 R N 3.212 123.528 120.500 -0.307 0.000 2.120 256 R HA -0.134 4.208 4.340 0.003 0.000 0.234 256 R C 1.460 177.802 176.300 0.070 0.000 1.123 256 R CA 1.106 57.160 56.100 -0.076 0.000 0.975 256 R CB -0.562 29.622 30.300 -0.193 0.000 0.866 256 R HN 0.712 nan 8.270 nan 0.000 0.446 257 N N 0.044 118.884 118.700 0.233 0.000 2.188 257 N HA -0.082 4.659 4.740 0.003 0.000 0.184 257 N C 1.553 177.161 175.510 0.164 0.000 1.018 257 N CA 1.595 54.770 53.050 0.209 0.000 0.858 257 N CB -0.260 38.374 38.487 0.245 0.000 0.989 257 N HN 0.202 nan 8.380 nan 0.000 0.426 258 T N 0.442 115.129 114.554 0.221 0.000 2.812 258 T HA -0.118 4.233 4.350 0.003 0.000 0.264 258 T C 1.479 176.320 174.700 0.234 0.000 1.042 258 T CA 0.587 62.785 62.100 0.164 0.000 1.140 258 T CB -0.293 68.658 68.868 0.137 0.000 0.870 258 T HN 0.486 nan 8.240 nan 0.000 0.445 259 W N 1.789 123.101 121.300 0.020 0.000 2.402 259 W HA -0.052 4.609 4.660 0.003 0.000 0.286 259 W C 2.373 178.924 176.519 0.053 0.000 1.221 259 W CA 0.544 57.891 57.345 0.004 0.000 1.257 259 W CB -0.111 29.314 29.460 -0.059 0.000 1.120 259 W HN 0.285 nan 8.180 nan 0.000 0.551 260 A N 1.296 124.077 122.820 -0.065 0.000 1.902 260 A HA -0.221 4.101 4.320 0.003 0.000 0.217 260 A C 1.989 179.525 177.584 -0.080 0.000 1.181 260 A CA 1.699 53.622 52.037 -0.191 0.000 0.623 260 A CB -0.694 18.253 19.000 -0.088 0.000 0.818 260 A HN 0.129 nan 8.150 nan 0.000 0.443 261 K N -0.166 120.238 120.400 0.005 0.000 2.025 261 K HA 0.002 4.323 4.320 0.003 0.000 0.207 261 K C 2.279 178.902 176.600 0.037 0.000 1.049 261 K CA 1.346 57.648 56.287 0.023 0.000 0.933 261 K CB -0.844 31.681 32.500 0.041 0.000 0.714 261 K HN 0.438 nan 8.250 nan 0.000 0.438 262 A N 0.532 123.418 122.820 0.110 0.000 1.930 262 A HA -0.189 4.132 4.320 0.003 0.000 0.217 262 A C 2.176 179.832 177.584 0.119 0.000 1.175 262 A CA 1.260 53.406 52.037 0.182 0.000 0.627 262 A CB -0.702 18.519 19.000 0.369 0.000 0.815 262 A HN 0.377 nan 8.150 nan 0.000 0.443 263 Y N 1.235 121.339 120.300 -0.327 0.000 2.145 263 Y HA -0.223 4.329 4.550 0.003 0.000 0.286 263 Y C 2.321 178.087 175.900 -0.224 0.000 1.145 263 Y CA 2.005 59.738 58.100 -0.612 0.000 1.148 263 Y CB -0.376 37.305 38.460 -1.298 0.000 0.981 263 Y HN 0.422 nan 8.280 nan 0.000 0.507 264 N N 0.523 119.119 118.700 -0.173 0.000 2.149 264 N HA -0.263 4.479 4.740 0.003 0.000 0.188 264 N C 1.604 177.026 175.510 -0.146 0.000 1.019 264 N CA 1.707 54.658 53.050 -0.165 0.000 0.857 264 N CB -0.451 38.011 38.487 -0.042 0.000 0.997 264 N HN 0.526 nan 8.380 nan 0.000 0.426 265 N N 0.548 119.201 118.700 -0.078 0.000 2.135 265 N HA -0.108 4.633 4.740 0.003 0.000 0.186 265 N C 1.905 177.393 175.510 -0.038 0.000 1.027 265 N CA 0.589 53.617 53.050 -0.036 0.000 0.849 265 N CB -0.404 38.087 38.487 0.006 0.000 1.002 265 N HN 0.154 nan 8.380 nan 0.000 0.425 266 L N 1.245 122.450 121.223 -0.029 0.000 2.043 266 L HA -0.090 4.252 4.340 0.003 0.000 0.212 266 L C 1.706 178.565 176.870 -0.018 0.000 1.075 266 L CA 1.620 56.474 54.840 0.022 0.000 0.752 266 L CB -0.641 41.486 42.059 0.113 0.000 0.891 266 L HN 0.509 nan 8.230 nan 0.000 0.432 267 I N -4.551 115.921 120.570 -0.165 0.000 3.735 267 I HA -0.017 4.154 4.170 0.003 0.000 0.310 267 I C 1.786 177.846 176.117 -0.096 0.000 1.270 267 I CA 0.325 61.532 61.300 -0.155 0.000 1.207 267 I CB -0.586 37.220 38.000 -0.323 0.000 1.013 267 I HN 0.126 nan 8.210 nan 0.000 0.452 268 K N 1.319 121.677 120.400 -0.069 0.000 2.211 268 K HA -0.095 4.227 4.320 0.003 0.000 0.203 268 K C 0.423 177.009 176.600 -0.024 0.000 1.050 268 K CA 0.882 57.143 56.287 -0.043 0.000 0.945 268 K CB -0.231 32.252 32.500 -0.029 0.000 0.732 268 K HN 0.444 nan 8.250 nan 0.000 0.451 269 D N 0.552 120.946 120.400 -0.010 0.000 2.304 269 D HA -0.008 4.634 4.640 0.003 0.000 0.250 269 D C 0.880 177.171 176.300 -0.015 0.000 1.107 269 D CA -0.158 53.842 54.000 -0.001 0.000 0.885 269 D CB 1.358 42.173 40.800 0.025 0.000 1.192 269 D HN -0.209 nan 8.370 nan 0.000 0.436 270 K N 2.473 122.859 120.400 -0.023 0.000 2.015 270 K HA -0.183 4.138 4.320 0.003 0.000 0.216 270 K C 1.495 178.062 176.600 -0.055 0.000 1.052 270 K CA 1.912 58.177 56.287 -0.036 0.000 0.937 270 K CB -0.686 31.794 32.500 -0.034 0.000 0.719 270 K HN 0.397 nan 8.250 nan 0.000 0.446 271 V N 1.552 121.430 119.914 -0.060 0.000 2.343 271 V HA -0.250 3.871 4.120 0.003 0.000 0.247 271 V C 1.977 177.985 176.094 -0.144 0.000 1.051 271 V CA 2.136 64.373 62.300 -0.105 0.000 1.036 271 V CB -0.820 30.942 31.823 -0.102 0.000 0.654 271 V HN 0.408 nan 8.190 nan 0.000 0.451 272 N N 0.305 118.972 118.700 -0.055 0.000 2.104 272 N HA -0.191 4.551 4.740 0.003 0.000 0.190 272 N C 1.938 177.452 175.510 0.006 0.000 1.024 272 N CA 1.582 54.655 53.050 0.039 0.000 0.853 272 N CB -0.496 38.126 38.487 0.225 0.000 1.008 272 N HN 0.449 nan 8.380 nan 0.000 0.424 273 R N 1.223 121.708 120.500 -0.025 0.000 2.096 273 R HA -0.055 4.287 4.340 0.003 0.000 0.235 273 R C 1.611 177.866 176.300 -0.075 0.000 1.127 273 R CA 1.301 57.375 56.100 -0.044 0.000 0.968 273 R CB 0.040 30.309 30.300 -0.050 0.000 0.861 273 R HN 0.355 nan 8.270 nan 0.000 0.440 274 E N -0.437 119.695 120.200 -0.112 0.000 2.106 274 E HA -0.105 4.247 4.350 0.003 0.000 0.192 274 E C 2.016 178.491 176.600 -0.209 0.000 0.984 274 E CA 1.328 57.642 56.400 -0.144 0.000 0.806 274 E CB 0.099 29.713 29.700 -0.143 0.000 0.750 274 E HN 0.281 nan 8.360 nan 0.000 0.458 275 S N 0.570 116.091 115.700 -0.298 0.000 2.355 275 S HA -0.119 4.352 4.470 0.003 0.000 0.222 275 S C 2.254 176.641 174.600 -0.355 0.000 1.031 275 S CA 0.821 58.753 58.200 -0.447 0.000 0.993 275 S CB -0.156 62.477 63.200 -0.945 0.000 0.859 275 S HN 0.051 nan 8.310 nan 0.000 0.453 276 V N 3.371 123.161 119.914 -0.206 0.000 2.287 276 V HA -0.218 3.903 4.120 0.003 0.000 0.248 276 V C 2.442 178.436 176.094 -0.165 0.000 1.053 276 V CA 1.801 63.994 62.300 -0.178 0.000 1.027 276 V CB -0.808 31.075 31.823 0.100 0.000 0.646 276 V HN 0.574 nan 8.190 nan 0.000 0.447 277 N N -0.140 118.498 118.700 -0.103 0.000 2.104 277 N HA -0.218 4.524 4.740 0.003 0.000 0.190 277 N C 2.152 177.571 175.510 -0.152 0.000 1.024 277 N CA 1.978 54.973 53.050 -0.092 0.000 0.853 277 N CB -0.054 38.382 38.487 -0.085 0.000 1.008 277 N HN 0.465 nan 8.380 nan 0.000 0.424 278 S N 0.474 116.070 115.700 -0.173 0.000 2.368 278 S HA -0.017 4.455 4.470 0.003 0.000 0.225 278 S C 2.185 176.771 174.600 -0.022 0.000 1.030 278 S CA 0.710 58.843 58.200 -0.111 0.000 0.999 278 S CB -0.218 62.867 63.200 -0.192 0.000 0.844 278 S HN 0.346 nan 8.310 nan 0.000 0.459 279 I N 1.332 121.771 120.570 -0.218 0.000 2.179 279 I HA -0.233 3.939 4.170 0.003 0.000 0.242 279 I C 2.776 178.772 176.117 -0.201 0.000 1.088 279 I CA 1.471 62.582 61.300 -0.315 0.000 1.357 279 I CB -0.483 37.020 38.000 -0.829 0.000 1.051 279 I HN 0.429 nan 8.210 nan 0.000 0.409 280 Q N 0.684 120.390 119.800 -0.156 0.000 2.124 280 Q HA -0.211 4.131 4.340 0.003 0.000 0.202 280 Q C 2.085 178.103 176.000 0.029 0.000 0.977 280 Q CA 1.327 57.151 55.803 0.036 0.000 0.850 280 Q CB -0.123 28.707 28.738 0.153 0.000 0.901 280 Q HN 0.503 nan 8.270 nan 0.000 0.429 281 K N 0.935 121.206 120.400 -0.216 0.000 2.305 281 K HA 0.016 4.338 4.320 0.003 0.000 0.199 281 K C 0.855 177.303 176.600 -0.255 0.000 1.047 281 K CA 0.311 56.333 56.287 -0.442 0.000 0.976 281 K CB 0.166 32.316 32.500 -0.583 0.000 0.765 281 K HN 0.131 nan 8.250 nan 0.000 0.474 282 S N 0.913 116.433 115.700 -0.299 0.000 2.558 282 S HA -0.024 4.448 4.470 0.003 0.000 0.291 282 S C 1.282 175.726 174.600 -0.261 0.000 1.306 282 S CA -0.268 57.587 58.200 -0.575 0.000 1.056 282 S CB 0.277 63.268 63.200 -0.348 0.000 0.836 282 S HN 0.119 nan 8.310 nan 0.000 0.504 283 I N 1.308 121.696 120.570 -0.305 0.000 2.264 283 I HA -0.046 4.126 4.170 0.003 0.000 0.248 283 I C 0.691 176.929 176.117 0.201 0.000 1.111 283 I CA 1.377 62.657 61.300 -0.033 0.000 1.382 283 I CB -0.543 37.435 38.000 -0.036 0.000 1.060 283 I HN 0.826 nan 8.210 nan 0.000 0.418 284 F N -2.957 117.023 119.950 0.050 0.000 2.842 284 F HA 0.486 5.014 4.527 0.003 0.000 0.319 284 F C -1.053 174.842 175.800 0.157 0.000 1.159 284 F CA -1.259 56.833 58.000 0.152 0.000 0.902 284 F CB 0.675 39.848 39.000 0.288 0.000 1.311 284 F HN -0.508 nan 8.300 nan 0.000 0.453 285 T N 1.710 116.564 114.554 0.499 0.000 2.856 285 T HA 0.696 5.048 4.350 0.003 0.000 0.283 285 T C -1.168 173.836 174.700 0.507 0.000 1.008 285 T CA -0.686 61.637 62.100 0.372 0.000 0.997 285 T CB 1.921 70.986 68.868 0.328 0.000 0.992 285 T HN 0.609 nan 8.240 nan 0.000 0.454 286 V N 2.254 122.389 119.914 0.367 0.000 2.448 286 V HA 0.358 4.480 4.120 0.003 0.000 0.295 286 V C -0.288 175.951 176.094 0.243 0.000 1.025 286 V CA -0.826 61.683 62.300 0.348 0.000 0.859 286 V CB 1.378 33.362 31.823 0.268 0.000 0.988 286 V HN 1.063 nan 8.190 nan 0.000 0.431 287 C N 6.382 125.823 119.300 0.234 0.000 2.251 287 C HA 0.538 5.000 4.460 0.003 0.000 0.323 287 C C 0.286 175.396 174.990 0.199 0.000 1.241 287 C CA -0.913 58.212 59.018 0.178 0.000 1.601 287 C CB -0.253 27.575 27.740 0.147 0.000 2.251 287 C HN 0.709 nan 8.230 nan 0.000 0.488 288 L N 3.930 125.272 121.223 0.199 0.000 2.288 288 L HA 0.271 4.612 4.340 0.003 0.000 0.283 288 L C -0.230 176.814 176.870 0.290 0.000 1.072 288 L CA 0.098 55.093 54.840 0.257 0.000 0.862 288 L CB -0.096 42.110 42.059 0.244 0.000 1.245 288 L HN 0.614 nan 8.230 nan 0.000 0.432 289 D N 2.919 123.478 120.400 0.264 0.000 2.341 289 D HA 0.164 4.806 4.640 0.003 0.000 0.245 289 D C 0.268 176.724 176.300 0.261 0.000 1.106 289 D CA -0.175 53.964 54.000 0.233 0.000 0.905 289 D CB 1.095 42.025 40.800 0.216 0.000 1.202 289 D HN 0.392 nan 8.370 nan 0.000 0.426 290 K N 0.516 121.029 120.400 0.187 0.000 2.107 290 K HA 0.221 4.542 4.320 0.003 0.000 0.251 290 K C 0.208 176.935 176.600 0.211 0.000 1.012 290 K CA -0.848 55.547 56.287 0.179 0.000 0.920 290 K CB 0.916 33.439 32.500 0.039 0.000 1.033 290 K HN 0.307 nan 8.250 nan 0.000 0.478 291 Q N 1.195 121.120 119.800 0.209 0.000 2.330 291 Q HA 0.114 4.456 4.340 0.003 0.000 0.279 291 Q C -0.556 175.562 176.000 0.197 0.000 1.024 291 Q CA -0.563 55.357 55.803 0.195 0.000 0.900 291 Q CB 0.760 29.601 28.738 0.172 0.000 1.221 291 Q HN 0.537 nan 8.270 nan 0.000 0.396 292 V N 1.192 121.226 119.914 0.200 0.000 2.960 292 V HA 0.666 4.787 4.120 0.003 0.000 0.315 292 V C -2.479 173.724 176.094 0.181 0.000 1.087 292 V CA -2.399 60.045 62.300 0.239 0.000 0.982 292 V CB 0.951 32.902 31.823 0.213 0.000 1.039 292 V HN 0.787 nan 8.190 nan 0.000 0.437 293 P HA 0.183 nan 4.420 nan 0.000 0.261 293 P C -0.250 177.093 177.300 0.072 0.000 1.183 293 P CA 0.037 63.219 63.100 0.137 0.000 0.761 293 P CB 0.211 32.018 31.700 0.178 0.000 0.785 294 R N 2.972 123.504 120.500 0.053 0.000 2.522 294 R HA 0.209 4.550 4.340 0.003 0.000 0.284 294 R C -0.061 176.230 176.300 -0.015 0.000 1.032 294 R CA -0.208 55.906 56.100 0.023 0.000 1.049 294 R CB 0.079 30.382 30.300 0.006 0.000 0.956 294 R HN 0.382 nan 8.270 nan 0.000 0.422 295 V N 1.376 121.263 119.914 -0.044 0.000 3.096 295 V HA 0.538 4.660 4.120 0.003 0.000 0.319 295 V C 0.024 176.073 176.094 -0.075 0.000 1.103 295 V CA -0.836 61.388 62.300 -0.126 0.000 1.016 295 V CB 1.710 33.296 31.823 -0.395 0.000 1.090 295 V HN 0.942 nan 8.190 nan 0.000 0.449 296 S N 0.564 116.219 115.700 -0.075 0.000 2.563 296 S HA 0.051 4.522 4.470 0.003 0.000 0.284 296 S C 0.541 175.139 174.600 -0.003 0.000 1.331 296 S CA 0.254 58.434 58.200 -0.033 0.000 1.047 296 S CB 0.253 63.443 63.200 -0.016 0.000 0.859 296 S HN 0.828 nan 8.310 nan 0.000 0.514 297 D N 1.219 121.614 120.400 -0.009 0.000 2.310 297 D HA -0.115 4.527 4.640 0.003 0.000 0.212 297 D C 1.400 177.735 176.300 0.059 0.000 0.965 297 D CA 1.225 55.229 54.000 0.007 0.000 0.879 297 D CB -0.241 40.534 40.800 -0.041 0.000 0.921 297 D HN 0.869 nan 8.370 nan 0.000 0.510 298 D N 0.829 121.259 120.400 0.050 0.000 2.347 298 D HA -0.097 4.544 4.640 0.003 0.000 0.215 298 D C 1.673 178.029 176.300 0.094 0.000 0.976 298 D CA 0.478 54.517 54.000 0.065 0.000 0.884 298 D CB 0.111 40.943 40.800 0.052 0.000 0.915 298 D HN 0.268 nan 8.370 nan 0.000 0.526 299 V N -3.550 116.428 119.914 0.105 0.000 3.330 299 V HA 0.218 4.340 4.120 0.003 0.000 0.309 299 V C 1.749 177.958 176.094 0.191 0.000 1.481 299 V CA -0.686 61.705 62.300 0.151 0.000 1.068 299 V CB -0.819 31.109 31.823 0.176 0.000 0.935 299 V HN -0.056 nan 8.190 nan 0.000 0.453 300 Y N 2.807 123.119 120.300 0.019 0.000 2.097 300 Y HA -0.169 4.382 4.550 0.002 0.000 0.282 300 Y C 2.649 178.587 175.900 0.063 0.000 1.152 300 Y CA 2.569 60.672 58.100 0.006 0.000 1.136 300 Y CB -0.118 38.328 38.460 -0.023 0.000 0.975 300 Y HN 0.196 nan 8.280 nan 0.000 0.498 301 R N -0.070 120.417 120.500 -0.022 0.000 2.105 301 R HA -0.193 4.149 4.340 0.003 0.000 0.239 301 R C 1.864 178.106 176.300 -0.095 0.000 1.135 301 R CA 1.446 57.482 56.100 -0.107 0.000 0.967 301 R CB -0.524 29.792 30.300 0.027 0.000 0.861 301 R HN 0.430 nan 8.270 nan 0.000 0.442 302 N N 0.285 118.984 118.700 -0.002 0.000 2.188 302 N HA -0.131 4.611 4.740 0.003 0.000 0.184 302 N C 1.573 177.031 175.510 -0.086 0.000 1.018 302 N CA 1.336 54.375 53.050 -0.018 0.000 0.858 302 N CB -0.366 38.139 38.487 0.030 0.000 0.989 302 N HN 0.371 nan 8.380 nan 0.000 0.426 303 H N -0.146 118.833 119.070 -0.152 0.000 2.428 303 H HA 0.101 4.658 4.556 0.003 0.000 0.296 303 H C 2.015 177.202 175.328 -0.236 0.000 1.062 303 H CA 0.533 56.479 56.048 -0.171 0.000 1.350 303 H CB -0.029 29.644 29.762 -0.150 0.000 1.403 303 H HN -0.059 nan 8.280 nan 0.000 0.533 304 V N 0.374 120.150 119.914 -0.230 0.000 2.358 304 V HA -0.224 3.898 4.120 0.003 0.000 0.246 304 V C 2.537 178.528 176.094 -0.172 0.000 1.047 304 V CA 1.570 63.719 62.300 -0.252 0.000 1.035 304 V CB -0.939 30.665 31.823 -0.365 0.000 0.658 304 V HN 0.559 nan 8.190 nan 0.000 0.452 305 A N 0.567 123.291 122.820 -0.160 0.000 1.933 305 A HA -0.105 4.217 4.320 0.003 0.000 0.218 305 A C 2.399 179.851 177.584 -0.221 0.000 1.175 305 A CA 1.966 53.919 52.037 -0.140 0.000 0.628 305 A CB -1.158 17.779 19.000 -0.105 0.000 0.814 305 A HN 0.530 nan 8.150 nan 0.000 0.444 306 G N -0.997 107.632 108.800 -0.284 0.000 2.408 306 G HA2 -0.249 3.712 3.960 0.003 0.000 0.217 306 G HA3 -0.249 3.712 3.960 0.003 0.000 0.217 306 G C 1.607 176.101 174.900 -0.677 0.000 1.150 306 G CA 1.046 45.807 45.100 -0.565 0.000 0.776 306 G HN 0.636 nan 8.290 nan 0.000 0.542 307 Q N -0.735 118.884 119.800 -0.303 0.000 2.084 307 Q HA -0.110 4.232 4.340 0.003 0.000 0.202 307 Q C 2.479 178.417 176.000 -0.104 0.000 0.978 307 Q CA 1.300 57.013 55.803 -0.149 0.000 0.844 307 Q CB -0.125 28.581 28.738 -0.053 0.000 0.898 307 Q HN 0.334 nan 8.270 nan 0.000 0.426 308 M N -0.209 119.325 119.600 -0.110 0.000 2.254 308 M HA -0.066 4.416 4.480 0.003 0.000 0.265 308 M C 2.047 178.324 176.300 -0.039 0.000 1.066 308 M CA 0.790 56.068 55.300 -0.038 0.000 1.123 308 M CB -0.896 31.689 32.600 -0.026 0.000 1.388 308 M HN 0.283 nan 8.290 nan 0.000 0.425 309 L N 0.381 121.510 121.223 -0.157 0.000 2.068 309 L HA -0.122 4.220 4.340 0.003 0.000 0.204 309 L C 2.434 179.261 176.870 -0.071 0.000 1.076 309 L CA 1.766 56.528 54.840 -0.130 0.000 0.753 309 L CB -0.440 41.513 42.059 -0.176 0.000 0.910 309 L HN 0.535 nan 8.230 nan 0.000 0.439 310 H N -4.484 114.593 119.070 0.011 0.000 3.622 310 H HA 0.402 4.960 4.556 0.003 0.000 0.259 310 H C 1.335 176.759 175.328 0.160 0.000 1.145 310 H CA 0.651 56.694 56.048 -0.008 0.000 1.178 310 H CB 0.685 30.369 29.762 -0.129 0.000 1.542 310 H HN 0.241 nan 8.280 nan 0.000 0.586 311 G N 0.591 109.480 108.800 0.148 0.000 2.213 311 G HA2 -0.204 3.758 3.960 0.003 0.000 0.226 311 G HA3 -0.204 3.758 3.960 0.003 0.000 0.226 311 G C 1.286 176.349 174.900 0.271 0.000 0.992 311 G CA 0.718 45.959 45.100 0.235 0.000 0.632 311 G HN 1.318 nan 8.290 nan 0.000 0.511 312 G N -1.126 107.921 108.800 0.412 0.000 2.284 312 G HA2 0.460 4.422 3.960 0.003 0.000 0.230 312 G HA3 0.460 4.422 3.960 0.003 0.000 0.230 312 G C 1.440 176.573 174.900 0.387 0.000 1.021 312 G CA 0.938 46.204 45.100 0.276 0.000 0.619 312 G HN 2.921 nan 8.290 nan 0.000 0.510 313 G N -1.587 107.468 108.800 0.425 0.000 2.351 313 G HA2 0.487 4.448 3.960 0.003 0.000 0.353 313 G HA3 0.487 4.448 3.960 0.003 0.000 0.353 313 G C 0.786 175.819 174.900 0.221 0.000 1.358 313 G CA 0.955 46.250 45.100 0.325 0.000 0.995 313 G HN 1.745 nan 8.290 nan 0.000 0.611 314 S N -0.661 115.079 115.700 0.066 0.000 2.469 314 S HA -0.029 4.443 4.470 0.003 0.000 0.238 314 S C 1.659 176.223 174.600 -0.060 0.000 0.998 314 S CA 1.645 59.826 58.200 -0.031 0.000 0.957 314 S CB -0.019 63.145 63.200 -0.059 0.000 0.764 314 S HN 0.515 nan 8.310 nan 0.000 0.514 315 K N 0.117 120.394 120.400 -0.206 0.000 2.400 315 K HA 0.296 4.617 4.320 0.003 0.000 0.194 315 K C 0.487 176.700 176.600 -0.645 0.000 1.033 315 K CA 0.318 56.304 56.287 -0.502 0.000 1.021 315 K CB -0.157 31.841 32.500 -0.836 0.000 0.808 315 K HN 0.545 nan 8.250 nan 0.000 0.505 316 F N 0.243 120.287 119.950 0.156 0.000 2.322 316 F HA 0.218 4.747 4.527 0.004 0.000 0.223 316 F C 1.496 177.426 175.800 0.218 0.000 1.054 316 F CA -0.252 57.847 58.000 0.165 0.000 1.129 316 F CB -0.107 38.979 39.000 0.143 0.000 1.438 316 F HN -0.166 nan 8.300 nan 0.000 0.597 317 N N -0.749 118.208 118.700 0.428 0.000 2.143 317 N HA 0.104 4.846 4.740 0.003 0.000 0.222 317 N C 1.031 176.686 175.510 0.242 0.000 1.264 317 N CA 0.259 53.503 53.050 0.324 0.000 0.897 317 N CB 0.713 39.355 38.487 0.257 0.000 1.092 317 N HN 0.051 nan 8.380 nan 0.000 0.516 318 S N 0.104 115.942 115.700 0.228 0.000 2.442 318 S HA -0.061 4.411 4.470 0.003 0.000 0.236 318 S C 1.870 176.504 174.600 0.057 0.000 1.007 318 S CA 1.188 59.513 58.200 0.207 0.000 0.965 318 S CB -0.077 63.236 63.200 0.188 0.000 0.773 318 S HN 0.497 nan 8.310 nan 0.000 0.504 319 G N 0.819 109.517 108.800 -0.170 0.000 2.777 319 G HA2 -0.034 3.927 3.960 0.003 0.000 0.211 319 G HA3 -0.034 3.927 3.960 0.003 0.000 0.211 319 G C 0.745 175.508 174.900 -0.228 0.000 1.149 319 G CA -0.184 44.624 45.100 -0.486 0.000 0.785 319 G HN 0.416 nan 8.290 nan 0.000 0.536 320 N N 0.792 119.523 118.700 0.052 0.000 2.802 320 N HA 0.170 4.911 4.740 0.003 0.000 0.288 320 N C 0.038 175.545 175.510 -0.004 0.000 1.268 320 N CA -0.108 53.008 53.050 0.111 0.000 1.035 320 N CB -0.071 38.534 38.487 0.198 0.000 1.353 320 N HN 0.105 nan 8.380 nan 0.000 0.522 321 R N -0.538 119.951 120.500 -0.019 0.000 2.752 321 R HA 0.322 4.664 4.340 0.003 0.000 0.271 321 R C -1.527 174.857 176.300 0.141 0.000 1.026 321 R CA -0.665 55.360 56.100 -0.125 0.000 0.901 321 R CB 1.155 30.995 30.300 -0.768 0.000 1.243 321 R HN 0.219 nan 8.270 nan 0.000 0.463 322 W N 2.631 123.841 121.300 -0.150 0.000 2.451 322 W HA 0.263 4.925 4.660 0.002 0.000 0.285 322 W C -0.861 175.592 176.519 -0.112 0.000 1.024 322 W CA -0.684 56.643 57.345 -0.030 0.000 1.421 322 W CB 0.346 29.851 29.460 0.075 0.000 1.319 322 W HN 0.646 nan 8.180 nan 0.000 0.366 323 F N 1.460 121.321 119.950 -0.149 0.000 2.583 323 F HA -0.153 4.375 4.527 0.002 0.000 0.297 323 F C 1.789 177.567 175.800 -0.036 0.000 1.131 323 F CA 1.058 59.004 58.000 -0.089 0.000 1.467 323 F CB -0.051 38.849 39.000 -0.167 0.000 1.097 323 F HN 0.026 nan 8.300 nan 0.000 0.586 324 D N -0.076 120.379 120.400 0.093 0.000 2.289 324 D HA -0.055 4.586 4.640 0.003 0.000 0.207 324 D C 1.034 177.532 176.300 0.329 0.000 0.966 324 D CA 0.617 54.756 54.000 0.232 0.000 0.868 324 D CB -0.084 40.919 40.800 0.338 0.000 0.943 324 D HN -0.004 nan 8.370 nan 0.000 0.514 325 K N 0.840 121.495 120.400 0.424 0.000 2.412 325 K HA 0.039 4.361 4.320 0.003 0.000 0.281 325 K C 1.068 177.808 176.600 0.234 0.000 1.027 325 K CA 0.257 56.751 56.287 0.345 0.000 0.989 325 K CB 0.612 33.324 32.500 0.353 0.000 0.935 325 K HN -0.218 nan 8.250 nan 0.000 0.475 326 T N 3.512 118.189 114.554 0.205 0.000 2.684 326 T HA -0.087 4.265 4.350 0.003 0.000 0.267 326 T C 0.377 175.160 174.700 0.138 0.000 1.036 326 T CA 1.159 63.357 62.100 0.164 0.000 1.148 326 T CB -0.083 68.871 68.868 0.143 0.000 0.863 326 T HN 0.400 nan 8.240 nan 0.000 0.436 327 L N 1.440 122.743 121.223 0.134 0.000 2.349 327 L HA 0.470 4.812 4.340 0.003 0.000 0.278 327 L C -0.544 176.356 176.870 0.051 0.000 0.996 327 L CA -0.533 54.315 54.840 0.014 0.000 0.825 327 L CB 1.907 43.978 42.059 0.021 0.000 1.243 327 L HN 0.076 nan 8.230 nan 0.000 0.412 328 Q N 3.429 123.168 119.800 -0.101 0.000 2.309 328 Q HA 0.491 4.832 4.340 0.003 0.000 0.270 328 Q C -1.505 174.407 176.000 -0.148 0.000 1.023 328 Q CA -0.533 55.281 55.803 0.019 0.000 0.758 328 Q CB 2.583 31.345 28.738 0.039 0.000 1.247 328 Q HN 0.376 nan 8.270 nan 0.000 0.455 329 F N 2.831 122.862 119.950 0.136 0.000 2.415 329 F HA 0.479 5.008 4.527 0.003 0.000 0.348 329 F C 0.165 176.048 175.800 0.138 0.000 1.119 329 F CA -0.577 57.485 58.000 0.102 0.000 1.069 329 F CB 0.890 39.920 39.000 0.050 0.000 1.124 329 F HN 0.313 nan 8.300 nan 0.000 0.472 330 I N 3.990 124.726 120.570 0.277 0.000 2.378 330 I HA 0.425 4.597 4.170 0.003 0.000 0.291 330 I C -0.983 175.308 176.117 0.291 0.000 0.992 330 I CA -0.858 60.586 61.300 0.240 0.000 1.154 330 I CB 1.695 39.794 38.000 0.165 0.000 1.315 330 I HN 0.182 nan 8.210 nan 0.000 0.448 331 V N 6.099 126.195 119.914 0.303 0.000 2.349 331 V HA 0.526 4.648 4.120 0.003 0.000 0.284 331 V C 0.503 176.801 176.094 0.340 0.000 1.014 331 V CA -0.602 61.919 62.300 0.369 0.000 0.826 331 V CB 1.217 33.265 31.823 0.375 0.000 1.009 331 V HN 0.848 nan 8.190 nan 0.000 0.431 332 A N 3.091 126.116 122.820 0.341 0.000 2.332 332 A HA 0.430 4.752 4.320 0.003 0.000 0.258 332 A C 1.338 179.167 177.584 0.409 0.000 1.087 332 A CA -0.085 52.138 52.037 0.310 0.000 0.802 332 A CB 0.458 19.590 19.000 0.221 0.000 1.042 332 A HN 0.801 nan 8.150 nan 0.000 0.489 333 E N 0.515 120.922 120.200 0.344 0.000 2.110 333 E HA -0.204 4.148 4.350 0.003 0.000 0.193 333 E C 0.745 177.562 176.600 0.361 0.000 0.988 333 E CA 1.713 58.330 56.400 0.362 0.000 0.804 333 E CB -0.096 29.782 29.700 0.297 0.000 0.745 333 E HN 0.795 nan 8.360 nan 0.000 0.458 334 D N -1.400 119.141 120.400 0.236 0.000 2.328 334 D HA 0.054 4.696 4.640 0.003 0.000 0.226 334 D C 1.229 177.470 176.300 -0.099 0.000 1.066 334 D CA 0.908 54.972 54.000 0.106 0.000 0.861 334 D CB 0.121 40.992 40.800 0.118 0.000 0.912 334 D HN 0.306 nan 8.370 nan 0.000 0.521 335 G N -0.466 108.187 108.800 -0.245 0.000 2.232 335 G HA2 -0.242 3.720 3.960 0.003 0.000 0.226 335 G HA3 -0.242 3.720 3.960 0.003 0.000 0.226 335 G C 0.359 175.020 174.900 -0.399 0.000 0.996 335 G CA 0.112 44.627 45.100 -0.976 0.000 0.626 335 G HN 0.404 nan 8.290 nan 0.000 0.509 336 S N 0.515 116.172 115.700 -0.072 0.000 2.576 336 S HA 0.594 5.066 4.470 0.003 0.000 0.276 336 S C 0.591 175.243 174.600 0.086 0.000 1.339 336 S CA 0.389 58.592 58.200 0.004 0.000 1.039 336 S CB 1.289 64.512 63.200 0.039 0.000 0.902 336 S HN 1.641 nan 8.310 nan 0.000 0.516 337 C N 0.142 119.493 119.300 0.085 0.000 3.288 337 C HA 1.056 5.517 4.460 0.003 0.000 0.318 337 C C 0.292 175.373 174.990 0.151 0.000 1.356 337 C CA -0.027 59.101 59.018 0.183 0.000 1.359 337 C CB 0.889 28.803 27.740 0.289 0.000 1.688 337 C HN 1.041 nan 8.230 nan 0.000 0.467 338 G N 0.509 109.420 108.800 0.184 0.000 2.435 338 G HA2 0.775 4.737 3.960 0.003 0.000 0.228 338 G HA3 0.775 4.737 3.960 0.003 0.000 0.228 338 G C -1.323 173.643 174.900 0.109 0.000 1.198 338 G CA -0.089 45.088 45.100 0.129 0.000 0.948 338 G HN 1.939 nan 8.290 nan 0.000 0.487 339 M N -1.776 117.845 119.600 0.035 0.000 3.012 339 M HA 0.796 5.278 4.480 0.003 0.000 0.272 339 M C -2.032 174.263 176.300 -0.007 0.000 1.187 339 M CA -1.020 54.252 55.300 -0.047 0.000 0.813 339 M CB 1.904 34.341 32.600 -0.272 0.000 1.626 339 M HN 1.421 nan 8.290 nan 0.000 0.507 340 V N 2.049 121.957 119.914 -0.011 0.000 2.733 340 V HA 0.778 4.900 4.120 0.003 0.000 0.306 340 V C -2.106 174.024 176.094 0.061 0.000 1.084 340 V CA -0.227 62.097 62.300 0.040 0.000 0.905 340 V CB 2.248 34.144 31.823 0.122 0.000 1.010 340 V HN 0.940 nan 8.190 nan 0.000 0.424 341 Y N 3.266 123.523 120.300 -0.071 0.000 2.485 341 Y HA 0.774 5.325 4.550 0.003 0.000 0.345 341 Y C -0.311 175.559 175.900 -0.051 0.000 0.998 341 Y CA -1.074 56.972 58.100 -0.091 0.000 1.059 341 Y CB 1.545 39.905 38.460 -0.167 0.000 1.234 341 Y HN 0.598 nan 8.280 nan 0.000 0.461 342 E N 2.547 122.818 120.200 0.117 0.000 2.223 342 E HA 0.020 4.371 4.350 0.003 0.000 0.282 342 E C 0.280 176.910 176.600 0.049 0.000 1.046 342 E CA 0.151 56.580 56.400 0.048 0.000 0.857 342 E CB 0.314 30.078 29.700 0.106 0.000 1.055 342 E HN 0.934 nan 8.360 nan 0.000 0.409 343 H N 3.806 122.747 119.070 -0.214 0.000 2.489 343 H HA -0.044 4.514 4.556 0.003 0.000 0.293 343 H C 1.422 176.349 175.328 -0.668 0.000 1.066 343 H CA 1.318 57.142 56.048 -0.374 0.000 1.305 343 H CB 0.286 29.747 29.762 -0.502 0.000 1.386 343 H HN 0.586 nan 8.280 nan 0.000 0.551 344 A N 0.253 122.839 122.820 -0.390 0.000 2.019 344 A HA -0.083 4.239 4.320 0.003 0.000 0.219 344 A C 2.647 180.170 177.584 -0.102 0.000 1.164 344 A CA 1.503 53.333 52.037 -0.344 0.000 0.644 344 A CB -0.639 18.314 19.000 -0.077 0.000 0.805 344 A HN 0.466 nan 8.150 nan 0.000 0.449 345 A N -1.440 121.372 122.820 -0.013 0.000 1.930 345 A HA 0.563 4.885 4.320 0.003 0.000 0.215 345 A C 1.194 178.795 177.584 0.028 0.000 1.176 345 A CA 1.689 53.744 52.037 0.030 0.000 0.632 345 A CB -0.356 18.670 19.000 0.043 0.000 0.819 345 A HN 1.622 nan 8.150 nan 0.000 0.445 346 A N -1.657 121.199 122.820 0.060 0.000 2.467 346 A HA 0.616 4.938 4.320 0.003 0.000 0.301 346 A C -1.292 176.374 177.584 0.137 0.000 1.126 346 A CA -0.601 51.453 52.037 0.029 0.000 0.632 346 A CB 0.180 19.092 19.000 -0.148 0.000 1.331 346 A HN 0.067 nan 8.150 nan 0.000 0.482 347 E N -0.798 119.437 120.200 0.058 0.000 2.504 347 E HA 0.557 4.908 4.350 0.003 0.000 0.253 347 E C 1.443 177.987 176.600 -0.094 0.000 1.151 347 E CA 0.442 56.920 56.400 0.131 0.000 0.972 347 E CB 0.635 30.410 29.700 0.126 0.000 1.247 347 E HN 0.771 nan 8.360 nan 0.000 0.519 348 G N 0.448 109.240 108.800 -0.014 0.000 2.402 348 G HA2 -0.141 3.821 3.960 0.003 0.000 0.216 348 G HA3 -0.141 3.821 3.960 0.003 0.000 0.216 348 G C -1.110 173.704 174.900 -0.143 0.000 1.162 348 G CA 0.545 45.584 45.100 -0.100 0.000 0.777 348 G HN 0.404 nan 8.290 nan 0.000 0.539 349 P HA -0.110 nan 4.420 nan 0.000 0.215 349 P C -1.301 175.948 177.300 -0.085 0.000 1.163 349 P CA 1.938 65.004 63.100 -0.057 0.000 0.894 349 P CB -0.719 30.968 31.700 -0.021 0.000 0.791 350 P HA -0.121 nan 4.420 nan 0.000 0.217 350 P C 1.473 178.649 177.300 -0.206 0.000 1.150 350 P CA 1.161 64.055 63.100 -0.344 0.000 0.832 350 P CB -0.517 30.716 31.700 -0.777 0.000 0.787 351 I N -0.552 119.825 120.570 -0.323 0.000 2.179 351 I HA -0.153 4.019 4.170 0.003 0.000 0.242 351 I C 2.289 178.272 176.117 -0.223 0.000 1.088 351 I CA 1.758 62.839 61.300 -0.365 0.000 1.357 351 I CB -1.645 35.975 38.000 -0.633 0.000 1.051 351 I HN -0.048 nan 8.210 nan 0.000 0.409 352 V N -0.371 119.455 119.914 -0.146 0.000 2.667 352 V HA 0.010 4.132 4.120 0.003 0.000 0.252 352 V C 2.666 178.733 176.094 -0.044 0.000 1.065 352 V CA 1.205 63.462 62.300 -0.073 0.000 1.083 352 V CB -1.402 30.402 31.823 -0.033 0.000 0.692 352 V HN 0.257 nan 8.190 nan 0.000 0.468 353 A N 0.886 123.702 122.820 -0.007 0.000 1.902 353 A HA -0.104 4.218 4.320 0.003 0.000 0.217 353 A C 2.273 179.775 177.584 -0.138 0.000 1.181 353 A CA 2.139 54.218 52.037 0.070 0.000 0.623 353 A CB -0.593 18.584 19.000 0.295 0.000 0.818 353 A HN 0.625 nan 8.150 nan 0.000 0.443 354 L N -0.409 120.561 121.223 -0.421 0.000 2.056 354 L HA -0.107 4.234 4.340 0.003 0.000 0.207 354 L C 2.359 178.996 176.870 -0.388 0.000 1.078 354 L CA 1.393 55.658 54.840 -0.959 0.000 0.749 354 L CB -0.226 41.351 42.059 -0.803 0.000 0.901 354 L HN 0.191 nan 8.230 nan 0.000 0.433 355 V N 0.395 120.205 119.914 -0.173 0.000 2.287 355 V HA -0.317 3.804 4.120 0.003 0.000 0.248 355 V C 2.217 178.316 176.094 0.008 0.000 1.053 355 V CA 2.190 64.470 62.300 -0.033 0.000 1.027 355 V CB -0.683 31.138 31.823 -0.004 0.000 0.646 355 V HN 0.514 nan 8.190 nan 0.000 0.447 356 D N -1.268 119.141 120.400 0.014 0.000 2.123 356 D HA -0.188 4.454 4.640 0.003 0.000 0.196 356 D C 2.095 178.445 176.300 0.084 0.000 0.992 356 D CA 1.505 55.538 54.000 0.055 0.000 0.833 356 D CB -0.410 40.429 40.800 0.065 0.000 0.954 356 D HN 0.540 nan 8.370 nan 0.000 0.455 357 H N 0.782 119.854 119.070 0.003 0.000 2.321 357 H HA -0.066 4.492 4.556 0.003 0.000 0.300 357 H C 2.081 177.453 175.328 0.074 0.000 1.087 357 H CA 1.235 57.329 56.048 0.077 0.000 1.319 357 H CB -0.196 29.672 29.762 0.176 0.000 1.379 357 H HN -0.049 nan 8.280 nan 0.000 0.501 358 V N 1.492 121.495 119.914 0.148 0.000 2.295 358 V HA -0.290 3.832 4.120 0.003 0.000 0.246 358 V C 2.934 179.072 176.094 0.073 0.000 1.049 358 V CA 1.810 64.147 62.300 0.062 0.000 1.024 358 V CB -0.550 31.228 31.823 -0.074 0.000 0.648 358 V HN 0.359 nan 8.190 nan 0.000 0.447 359 M N -0.374 119.276 119.600 0.083 0.000 2.108 359 M HA -0.192 4.290 4.480 0.003 0.000 0.261 359 M C 2.189 178.552 176.300 0.105 0.000 1.066 359 M CA 1.729 57.104 55.300 0.126 0.000 1.107 359 M CB -1.295 31.379 32.600 0.124 0.000 1.356 359 M HN 0.527 nan 8.290 nan 0.000 0.406 360 E N -0.886 119.349 120.200 0.058 0.000 2.150 360 E HA -0.230 4.122 4.350 0.003 0.000 0.193 360 E C 1.993 178.596 176.600 0.005 0.000 0.985 360 E CA 0.856 57.267 56.400 0.019 0.000 0.814 360 E CB -0.114 29.575 29.700 -0.018 0.000 0.752 360 E HN 0.489 nan 8.360 nan 0.000 0.466 361 Y N 1.180 121.409 120.300 -0.118 0.000 2.242 361 Y HA -0.162 4.389 4.550 0.003 0.000 0.291 361 Y C 2.436 178.304 175.900 -0.053 0.000 1.137 361 Y CA 2.032 60.062 58.100 -0.116 0.000 1.181 361 Y CB -0.346 38.033 38.460 -0.136 0.000 0.989 361 Y HN 0.150 nan 8.280 nan 0.000 0.527 362 T N -2.667 111.996 114.554 0.182 0.000 3.113 362 T HA -0.069 4.283 4.350 0.003 0.000 0.263 362 T C 1.348 176.104 174.700 0.094 0.000 1.143 362 T CA 1.022 63.211 62.100 0.148 0.000 1.090 362 T CB -0.263 68.729 68.868 0.207 0.000 0.922 362 T HN 0.313 nan 8.240 nan 0.000 0.521 363 K N 0.350 120.771 120.400 0.036 0.000 2.358 363 K HA 0.221 4.543 4.320 0.003 0.000 0.197 363 K C 0.475 177.043 176.600 -0.053 0.000 1.025 363 K CA -0.136 56.157 56.287 0.010 0.000 1.104 363 K CB 0.438 32.948 32.500 0.017 0.000 0.855 363 K HN 0.352 nan 8.250 nan 0.000 0.531 364 K N 1.928 122.249 120.400 -0.131 0.000 2.258 364 K HA 0.132 4.454 4.320 0.003 0.000 0.264 364 K C -2.314 174.208 176.600 -0.131 0.000 1.007 364 K CA -1.489 54.688 56.287 -0.183 0.000 0.941 364 K CB 0.070 32.349 32.500 -0.367 0.000 0.966 364 K HN -0.158 nan 8.250 nan 0.000 0.480 365 P HA -0.070 nan 4.420 nan 0.000 0.271 365 P C -0.834 176.420 177.300 -0.077 0.000 1.233 365 P CA 0.115 63.169 63.100 -0.076 0.000 0.795 365 P CB 0.422 32.083 31.700 -0.066 0.000 0.936 366 E N 1.151 121.318 120.200 -0.056 0.000 1.986 366 E HA 0.173 4.525 4.350 0.003 0.000 0.264 366 E C 0.016 176.591 176.600 -0.041 0.000 1.023 366 E CA -0.266 56.105 56.400 -0.049 0.000 0.834 366 E CB -0.001 29.672 29.700 -0.045 0.000 1.111 366 E HN 0.364 nan 8.360 nan 0.000 0.417 367 L N 1.671 122.869 121.223 -0.040 0.000 2.516 367 L HA -0.053 4.289 4.340 0.003 0.000 0.288 367 L C 0.866 177.725 176.870 -0.019 0.000 1.246 367 L CA -0.210 54.613 54.840 -0.028 0.000 0.844 367 L CB 0.151 42.198 42.059 -0.021 0.000 1.106 367 L HN 0.261 nan 8.230 nan 0.000 0.509 368 V N 0.801 120.706 119.914 -0.015 0.000 2.450 368 V HA 0.149 4.271 4.120 0.003 0.000 0.281 368 V C 0.291 176.382 176.094 -0.005 0.000 1.019 368 V CA -0.608 61.685 62.300 -0.012 0.000 1.062 368 V CB 0.032 31.849 31.823 -0.010 0.000 0.979 368 V HN 0.572 nan 8.190 nan 0.000 0.477 369 R N 4.349 124.846 120.500 -0.006 0.000 2.254 369 R HA 0.417 4.759 4.340 0.003 0.000 0.318 369 R C 0.615 176.917 176.300 0.004 0.000 1.031 369 R CA 0.063 56.164 56.100 0.002 0.000 0.905 369 R CB 1.404 31.705 30.300 0.002 0.000 1.050 369 R HN 1.038 nan 8.270 nan 0.000 0.456 370 S N 3.033 118.738 115.700 0.007 0.000 2.600 370 S HA 0.354 4.826 4.470 0.003 0.000 0.265 370 S C -1.984 172.620 174.600 0.007 0.000 1.325 370 S CA -1.070 57.132 58.200 0.004 0.000 1.002 370 S CB -0.090 63.111 63.200 0.003 0.000 0.921 370 S HN 0.318 nan 8.310 nan 0.000 0.554 371 P HA 0.047 nan 4.420 nan 0.000 0.266 371 P C -0.479 176.826 177.300 0.010 0.000 1.180 371 P CA -0.029 63.074 63.100 0.005 0.000 0.765 371 P CB 0.139 31.840 31.700 0.001 0.000 0.806 372 M N 4.447 124.057 119.600 0.016 0.000 2.227 372 M HA 0.144 4.626 4.480 0.003 0.000 0.349 372 M C -0.418 175.892 176.300 0.017 0.000 1.443 372 M CA -0.295 55.020 55.300 0.024 0.000 1.110 372 M CB -0.313 32.306 32.600 0.031 0.000 1.773 372 M HN 0.171 nan 8.290 nan 0.000 0.463 373 V N 4.595 124.519 119.914 0.017 0.000 3.036 373 V HA 0.714 4.835 4.120 0.003 0.000 0.308 373 V C -2.323 173.782 176.094 0.019 0.000 1.070 373 V CA -1.860 60.443 62.300 0.005 0.000 1.056 373 V CB 0.044 31.852 31.823 -0.024 0.000 1.084 373 V HN 0.805 nan 8.190 nan 0.000 0.471 374 P HA 0.362 nan 4.420 nan 0.000 0.263 374 P C -0.908 176.413 177.300 0.035 0.000 1.195 374 P CA 0.383 63.495 63.100 0.019 0.000 0.762 374 P CB 0.156 31.863 31.700 0.012 0.000 0.799 375 L N 5.978 127.221 121.223 0.034 0.000 2.365 375 L HA 0.517 4.859 4.340 0.003 0.000 0.273 375 L C -1.826 175.059 176.870 0.024 0.000 1.000 375 L CA -2.208 52.656 54.840 0.041 0.000 0.819 375 L CB 2.038 44.119 42.059 0.037 0.000 1.284 375 L HN 0.278 nan 8.230 nan 0.000 0.418 376 P HA 0.106 nan 4.420 nan 0.000 0.273 376 P C -0.806 176.501 177.300 0.012 0.000 1.250 376 P CA -0.658 62.452 63.100 0.017 0.000 0.793 376 P CB 0.807 32.519 31.700 0.019 0.000 1.011 377 M N 1.956 121.565 119.600 0.014 0.000 2.146 377 M HA 0.348 4.829 4.480 0.003 0.000 0.352 377 M C -2.400 173.923 176.300 0.039 0.000 1.343 377 M CA -2.439 52.874 55.300 0.022 0.000 1.115 377 M CB -0.308 32.308 32.600 0.028 0.000 1.657 377 M HN 0.073 nan 8.290 nan 0.000 0.471 378 P HA 0.000 nan 4.420 nan 0.000 0.261 378 P C -1.280 176.120 177.300 0.167 0.000 1.183 378 P CA 0.142 63.299 63.100 0.095 0.000 0.761 378 P CB 0.236 31.984 31.700 0.081 0.000 0.785 379 K N 3.636 124.092 120.400 0.094 0.000 2.416 379 K HA 0.047 4.369 4.320 0.003 0.000 0.283 379 K C 0.131 176.731 176.600 -0.000 0.000 1.037 379 K CA -0.281 56.024 56.287 0.030 0.000 0.995 379 K CB 0.330 32.800 32.500 -0.050 0.000 0.938 379 K HN 0.263 nan 8.250 nan 0.000 0.475 380 K N 5.455 125.781 120.400 -0.123 0.000 2.297 380 K HA 0.133 4.454 4.320 0.003 0.000 0.286 380 K C -0.591 175.779 176.600 -0.385 0.000 1.053 380 K CA -0.371 55.620 56.287 -0.494 0.000 0.940 380 K CB 0.503 32.732 32.500 -0.452 0.000 1.019 380 K HN 0.568 nan 8.250 nan 0.000 0.475 381 L N 6.449 127.417 121.223 -0.425 0.000 2.328 381 L HA 0.284 4.626 4.340 0.003 0.000 0.280 381 L C 0.490 177.085 176.870 -0.458 0.000 1.111 381 L CA -0.406 54.204 54.840 -0.384 0.000 0.909 381 L CB 0.256 42.125 42.059 -0.317 0.000 1.277 381 L HN 0.541 nan 8.230 nan 0.000 0.433 382 R N 1.915 122.175 120.500 -0.401 0.000 2.615 382 R HA 0.492 4.833 4.340 0.003 0.000 0.270 382 R C -1.085 174.938 176.300 -0.462 0.000 1.081 382 R CA -0.163 55.758 56.100 -0.300 0.000 1.154 382 R CB 0.858 31.057 30.300 -0.168 0.000 1.063 382 R HN 0.182 nan 8.270 nan 0.000 0.519 383 F N 0.394 120.344 119.950 -0.000 0.000 2.539 383 F HA 0.264 4.793 4.527 0.002 0.000 0.318 383 F C -0.126 175.687 175.800 0.023 0.000 1.135 383 F CA -0.967 57.047 58.000 0.024 0.000 0.915 383 F CB 1.644 40.687 39.000 0.073 0.000 1.176 383 F HN 0.271 nan 8.300 nan 0.000 0.440 384 N N 4.600 123.423 118.700 0.205 0.000 2.408 384 N HA 0.288 5.030 4.740 0.003 0.000 0.257 384 N C -0.590 174.997 175.510 0.129 0.000 1.064 384 N CA -0.214 52.909 53.050 0.122 0.000 0.952 384 N CB 1.256 39.785 38.487 0.070 0.000 1.093 384 N HN 0.307 nan 8.380 nan 0.000 0.490 385 I N 1.831 122.463 120.570 0.103 0.000 2.396 385 I HA 0.213 4.385 4.170 0.003 0.000 0.292 385 I C 1.263 177.413 176.117 0.054 0.000 0.999 385 I CA -0.340 61.007 61.300 0.079 0.000 1.310 385 I CB 0.734 38.774 38.000 0.068 0.000 1.404 385 I HN 0.400 nan 8.210 nan 0.000 0.496 386 T N 2.811 117.393 114.554 0.046 0.000 2.926 386 T HA 0.493 4.845 4.350 0.003 0.000 0.289 386 T C -2.185 172.531 174.700 0.028 0.000 1.054 386 T CA -1.870 60.250 62.100 0.034 0.000 1.015 386 T CB 2.009 70.896 68.868 0.032 0.000 1.167 386 T HN 0.208 nan 8.240 nan 0.000 0.526 387 P HA -0.054 nan 4.420 nan 0.000 0.218 387 P C 1.316 178.626 177.300 0.018 0.000 1.148 387 P CA 0.920 64.031 63.100 0.017 0.000 0.822 387 P CB 0.211 31.919 31.700 0.014 0.000 0.784 388 E N -0.490 119.723 120.200 0.021 0.000 2.046 388 E HA -0.117 4.235 4.350 0.003 0.000 0.190 388 E C 1.928 178.545 176.600 0.029 0.000 0.982 388 E CA 0.787 57.200 56.400 0.022 0.000 0.800 388 E CB -0.390 29.324 29.700 0.023 0.000 0.756 388 E HN 0.130 nan 8.360 nan 0.000 0.449 389 I N 1.021 121.611 120.570 0.034 0.000 2.179 389 I HA -0.262 3.910 4.170 0.003 0.000 0.242 389 I C 2.545 178.676 176.117 0.024 0.000 1.088 389 I CA 1.063 62.386 61.300 0.039 0.000 1.357 389 I CB -0.269 37.758 38.000 0.046 0.000 1.051 389 I HN 0.052 nan 8.210 nan 0.000 0.409 390 K N 1.752 122.164 120.400 0.020 0.000 2.063 390 K HA -0.261 4.061 4.320 0.003 0.000 0.208 390 K C 1.753 178.356 176.600 0.004 0.000 1.048 390 K CA 2.062 58.355 56.287 0.011 0.000 0.928 390 K CB -0.503 32.005 32.500 0.014 0.000 0.713 390 K HN 0.207 nan 8.250 nan 0.000 0.442 391 N N 0.482 119.187 118.700 0.009 0.000 2.120 391 N HA -0.136 4.606 4.740 0.003 0.000 0.188 391 N C 1.150 176.663 175.510 0.005 0.000 1.024 391 N CA 1.805 54.858 53.050 0.006 0.000 0.852 391 N CB -0.228 38.264 38.487 0.009 0.000 1.003 391 N HN 0.246 nan 8.380 nan 0.000 0.424 392 D N 0.164 120.574 120.400 0.017 0.000 2.117 392 D HA -0.116 4.526 4.640 0.003 0.000 0.197 392 D C 1.986 178.283 176.300 -0.004 0.000 0.987 392 D CA 0.810 54.825 54.000 0.025 0.000 0.829 392 D CB -0.198 40.640 40.800 0.064 0.000 0.961 392 D HN 0.423 nan 8.370 nan 0.000 0.460 393 I N 1.257 121.816 120.570 -0.019 0.000 2.226 393 I HA -0.220 3.952 4.170 0.003 0.000 0.245 393 I C 2.313 178.398 176.117 -0.053 0.000 1.100 393 I CA 1.009 62.277 61.300 -0.054 0.000 1.374 393 I CB -0.117 37.851 38.000 -0.053 0.000 1.057 393 I HN -0.084 nan 8.210 nan 0.000 0.413 394 E N 0.912 121.092 120.200 -0.033 0.000 2.106 394 E HA -0.174 4.178 4.350 0.003 0.000 0.192 394 E C 2.105 178.686 176.600 -0.032 0.000 0.984 394 E CA 0.920 57.301 56.400 -0.031 0.000 0.806 394 E CB -0.178 29.511 29.700 -0.019 0.000 0.750 394 E HN 0.399 nan 8.360 nan 0.000 0.458 395 K N 0.617 121.002 120.400 -0.025 0.000 2.097 395 K HA -0.001 4.321 4.320 0.003 0.000 0.205 395 K C 2.035 178.613 176.600 -0.036 0.000 1.050 395 K CA 0.994 57.267 56.287 -0.023 0.000 0.938 395 K CB -0.367 32.127 32.500 -0.010 0.000 0.718 395 K HN 0.076 nan 8.250 nan 0.000 0.442 396 A N 1.837 124.626 122.820 -0.051 0.000 1.930 396 A HA -0.144 4.178 4.320 0.003 0.000 0.217 396 A C 2.108 179.642 177.584 -0.082 0.000 1.175 396 A CA 1.362 53.351 52.037 -0.081 0.000 0.627 396 A CB -0.259 18.664 19.000 -0.127 0.000 0.815 396 A HN 0.244 nan 8.150 nan 0.000 0.443 397 K N -0.441 119.915 120.400 -0.073 0.000 2.032 397 K HA -0.206 4.116 4.320 0.003 0.000 0.209 397 K C 2.340 178.910 176.600 -0.050 0.000 1.048 397 K CA 1.835 58.083 56.287 -0.065 0.000 0.927 397 K CB -0.227 32.239 32.500 -0.057 0.000 0.712 397 K HN 0.614 nan 8.250 nan 0.000 0.441 398 Q N 0.462 120.236 119.800 -0.042 0.000 2.050 398 Q HA -0.197 4.144 4.340 0.003 0.000 0.202 398 Q C 2.010 177.987 176.000 -0.038 0.000 0.980 398 Q CA 1.754 57.537 55.803 -0.034 0.000 0.840 398 Q CB -0.226 28.495 28.738 -0.029 0.000 0.898 398 Q HN 0.292 nan 8.270 nan 0.000 0.424 399 N N 0.474 119.148 118.700 -0.042 0.000 2.043 399 N HA -0.201 4.541 4.740 0.003 0.000 0.193 399 N C 1.594 177.073 175.510 -0.051 0.000 1.037 399 N CA 0.938 53.963 53.050 -0.041 0.000 0.851 399 N CB -0.210 38.254 38.487 -0.037 0.000 1.027 399 N HN 0.147 nan 8.380 nan 0.000 0.422 400 L N 0.303 121.482 121.223 -0.073 0.000 2.046 400 L HA -0.049 4.292 4.340 0.003 0.000 0.208 400 L C 2.380 179.193 176.870 -0.096 0.000 1.077 400 L CA 1.789 56.569 54.840 -0.100 0.000 0.747 400 L CB -1.425 40.571 42.059 -0.106 0.000 0.896 400 L HN 0.295 nan 8.230 nan 0.000 0.432 401 S N -0.692 114.970 115.700 -0.062 0.000 2.370 401 S HA -0.200 4.272 4.470 0.003 0.000 0.226 401 S C 2.068 176.637 174.600 -0.051 0.000 1.033 401 S CA 1.768 59.940 58.200 -0.046 0.000 1.011 401 S CB -0.426 62.761 63.200 -0.021 0.000 0.852 401 S HN 0.502 nan 8.310 nan 0.000 0.457 402 I N 0.866 121.410 120.570 -0.043 0.000 2.179 402 I HA -0.217 3.955 4.170 0.003 0.000 0.242 402 I C 2.598 178.694 176.117 -0.034 0.000 1.088 402 I CA 1.479 62.760 61.300 -0.032 0.000 1.357 402 I CB -0.354 37.631 38.000 -0.026 0.000 1.051 402 I HN 0.376 nan 8.210 nan 0.000 0.409 403 M N 0.232 119.805 119.600 -0.044 0.000 2.080 403 M HA -0.243 4.238 4.480 0.003 0.000 0.260 403 M C 2.345 178.580 176.300 -0.109 0.000 1.068 403 M CA 2.071 57.347 55.300 -0.040 0.000 1.109 403 M CB -0.435 32.118 32.600 -0.079 0.000 1.342 403 M HN 0.172 nan 8.290 nan 0.000 0.405 404 I N -0.206 120.239 120.570 -0.208 0.000 2.226 404 I HA -0.305 3.867 4.170 0.003 0.000 0.245 404 I C 2.423 178.448 176.117 -0.154 0.000 1.100 404 I CA 1.424 62.531 61.300 -0.322 0.000 1.374 404 I CB -0.518 37.234 38.000 -0.414 0.000 1.057 404 I HN 0.401 nan 8.210 nan 0.000 0.413 405 Q N 0.024 119.775 119.800 -0.081 0.000 2.226 405 Q HA -0.261 4.081 4.340 0.003 0.000 0.204 405 Q C 1.414 177.412 176.000 -0.003 0.000 0.975 405 Q CA 1.629 57.413 55.803 -0.031 0.000 0.866 405 Q CB -0.179 28.551 28.738 -0.014 0.000 0.915 405 Q HN 0.422 nan 8.270 nan 0.000 0.440 406 D N -0.381 120.028 120.400 0.015 0.000 2.349 406 D HA -0.019 4.623 4.640 0.003 0.000 0.215 406 D C -0.441 175.952 176.300 0.155 0.000 1.016 406 D CA -0.033 54.015 54.000 0.081 0.000 0.870 406 D CB 0.315 41.165 40.800 0.082 0.000 0.917 406 D HN -0.032 nan 8.370 nan 0.000 0.524 407 L N 1.055 122.324 121.223 0.077 0.000 2.290 407 L HA 0.330 4.672 4.340 0.003 0.000 0.284 407 L C -0.937 175.928 176.870 -0.008 0.000 1.078 407 L CA -0.243 54.626 54.840 0.047 0.000 0.815 407 L CB 1.367 43.424 42.059 -0.003 0.000 1.162 407 L HN -0.181 nan 8.230 nan 0.000 0.435 408 D N 5.669 126.044 120.400 -0.042 0.000 2.414 408 D HA 0.403 5.045 4.640 0.003 0.000 0.232 408 D C -0.889 175.378 176.300 -0.056 0.000 1.070 408 D CA -0.081 53.896 54.000 -0.039 0.000 0.839 408 D CB 0.533 41.317 40.800 -0.026 0.000 1.079 408 D HN 0.459 nan 8.370 nan 0.000 0.521 409 I N 3.070 123.613 120.570 -0.045 0.000 2.474 409 I HA 0.427 4.599 4.170 0.003 0.000 0.294 409 I C -0.561 175.541 176.117 -0.026 0.000 1.005 409 I CA -1.087 60.185 61.300 -0.047 0.000 1.113 409 I CB 1.873 39.836 38.000 -0.061 0.000 1.289 409 I HN 0.320 nan 8.210 nan 0.000 0.436 410 M N 7.805 127.395 119.600 -0.018 0.000 2.165 410 M HA 0.471 4.952 4.480 0.003 0.000 0.283 410 M C -1.510 174.802 176.300 0.021 0.000 0.978 410 M CA -0.472 54.827 55.300 -0.002 0.000 0.948 410 M CB 1.459 34.042 32.600 -0.028 0.000 1.599 410 M HN 0.304 nan 8.290 nan 0.000 0.450 411 M N 5.306 124.932 119.600 0.042 0.000 2.233 411 M HA 0.540 5.022 4.480 0.003 0.000 0.355 411 M C -1.228 175.145 176.300 0.121 0.000 1.191 411 M CA -0.672 54.674 55.300 0.076 0.000 1.101 411 M CB 0.923 33.555 32.600 0.054 0.000 1.592 411 M HN 0.798 nan 8.290 nan 0.000 0.461 412 L N 3.000 124.337 121.223 0.190 0.000 2.406 412 L HA 0.532 4.873 4.340 0.003 0.000 0.272 412 L C -0.713 176.351 176.870 0.323 0.000 0.980 412 L CA 0.152 55.138 54.840 0.243 0.000 0.831 412 L CB 1.964 44.164 42.059 0.236 0.000 1.253 412 L HN 0.680 nan 8.230 nan 0.000 0.406 413 T N 5.795 120.504 114.554 0.258 0.000 2.811 413 T HA 0.291 4.643 4.350 0.003 0.000 0.309 413 T C -0.484 174.399 174.700 0.305 0.000 1.005 413 T CA 0.230 62.482 62.100 0.254 0.000 0.955 413 T CB -0.312 68.634 68.868 0.131 0.000 0.970 413 T HN 0.391 nan 8.240 nan 0.000 0.496 414 F N 6.442 126.534 119.950 0.236 0.000 2.464 414 F HA 0.172 4.700 4.527 0.003 0.000 0.353 414 F C 1.771 177.585 175.800 0.023 0.000 1.191 414 F CA -0.815 57.274 58.000 0.149 0.000 1.147 414 F CB 0.163 39.308 39.000 0.242 0.000 1.294 414 F HN 0.684 nan 8.300 nan 0.000 0.583 415 H N 3.716 122.541 119.070 -0.409 0.000 2.535 415 H HA -0.031 4.527 4.556 0.003 0.000 0.273 415 H C 1.195 176.266 175.328 -0.428 0.000 0.983 415 H CA 0.887 56.727 56.048 -0.347 0.000 1.238 415 H CB -0.453 29.089 29.762 -0.366 0.000 1.412 415 H HN 0.640 nan 8.280 nan 0.000 0.562 416 H N 1.424 119.771 119.070 -1.204 0.000 2.353 416 H HA -0.045 4.512 4.556 0.003 0.000 0.298 416 H C 0.450 175.708 175.328 -0.117 0.000 1.103 416 H CA 1.806 57.384 56.048 -0.783 0.000 1.293 416 H CB -0.119 29.022 29.762 -1.036 0.000 1.372 416 H HN 0.475 nan 8.280 nan 0.000 0.501 417 F N -2.986 117.019 119.950 0.093 0.000 2.858 417 F HA 0.597 5.126 4.527 0.003 0.000 0.319 417 F C 0.058 176.051 175.800 0.321 0.000 1.166 417 F CA -0.612 57.516 58.000 0.213 0.000 0.899 417 F CB 0.887 40.006 39.000 0.199 0.000 1.332 417 F HN 0.019 nan 8.300 nan 0.000 0.461 418 G N 0.389 109.491 108.800 0.502 0.000 3.340 418 G HA2 0.315 4.276 3.960 0.003 0.000 0.176 418 G HA3 0.315 4.276 3.960 0.003 0.000 0.176 418 G C -0.225 174.845 174.900 0.284 0.000 1.103 418 G CA -0.688 44.584 45.100 0.287 0.000 0.779 418 G HN 0.638 nan 8.290 nan 0.000 0.673 419 K N 0.677 121.154 120.400 0.127 0.000 2.283 419 K HA -0.060 4.261 4.320 0.003 0.000 0.202 419 K C 2.102 178.728 176.600 0.043 0.000 1.048 419 K CA 1.528 57.857 56.287 0.070 0.000 0.948 419 K CB -0.041 32.481 32.500 0.037 0.000 0.742 419 K HN 0.522 nan 8.250 nan 0.000 0.458 420 D N 1.110 121.564 120.400 0.090 0.000 2.116 420 D HA -0.256 4.386 4.640 0.003 0.000 0.193 420 D C 1.769 178.067 176.300 -0.004 0.000 0.998 420 D CA 1.279 55.313 54.000 0.057 0.000 0.836 420 D CB -0.691 40.171 40.800 0.104 0.000 0.951 420 D HN 0.191 nan 8.370 nan 0.000 0.449 421 F N 2.035 121.903 119.950 -0.137 0.000 2.060 421 F HA 0.052 4.580 4.527 0.003 0.000 0.295 421 F C -0.884 174.690 175.800 -0.376 0.000 1.120 421 F CA 0.594 58.385 58.000 -0.349 0.000 1.205 421 F CB -1.332 37.183 39.000 -0.808 0.000 0.986 421 F HN -0.027 nan 8.300 nan 0.000 0.470 422 P HA -0.215 nan 4.420 nan 0.000 0.216 422 P C 1.321 178.366 177.300 -0.425 0.000 1.153 422 P CA 2.395 65.079 63.100 -0.694 0.000 0.858 422 P CB -0.155 31.258 31.700 -0.479 0.000 0.789 423 K N -0.267 119.972 120.400 -0.269 0.000 2.097 423 K HA -0.099 4.223 4.320 0.003 0.000 0.206 423 K C 2.238 178.719 176.600 -0.198 0.000 1.049 423 K CA 1.925 58.110 56.287 -0.169 0.000 0.933 423 K CB -0.604 31.842 32.500 -0.090 0.000 0.717 423 K HN 0.250 nan 8.250 nan 0.000 0.442 424 S N 0.948 116.487 115.700 -0.267 0.000 2.447 424 S HA -0.067 4.405 4.470 0.003 0.000 0.233 424 S C 1.476 175.908 174.600 -0.280 0.000 1.006 424 S CA 0.811 58.873 58.200 -0.231 0.000 0.957 424 S CB 0.039 63.119 63.200 -0.200 0.000 0.773 424 S HN 0.167 nan 8.310 nan 0.000 0.507 425 E N 0.921 120.867 120.200 -0.425 0.000 2.479 425 E HA 0.162 4.514 4.350 0.003 0.000 0.193 425 E C -0.121 176.366 176.600 -0.188 0.000 1.049 425 E CA -0.028 56.166 56.400 -0.344 0.000 0.870 425 E CB 0.026 29.419 29.700 -0.511 0.000 0.944 425 E HN 0.383 nan 8.360 nan 0.000 0.492 426 K N 0.118 120.422 120.400 -0.159 0.000 3.161 426 K HA -0.170 4.152 4.320 0.003 0.000 0.270 426 K C -0.537 176.023 176.600 -0.067 0.000 1.115 426 K CA 0.459 56.692 56.287 -0.089 0.000 0.789 426 K CB -1.792 30.672 32.500 -0.061 0.000 1.256 426 K HN 0.191 nan 8.250 nan 0.000 0.492 427 L N 0.066 121.238 121.223 -0.084 0.000 2.370 427 L HA 0.316 4.658 4.340 0.003 0.000 0.266 427 L C 0.679 177.549 176.870 -0.000 0.000 1.002 427 L CA -0.838 53.989 54.840 -0.021 0.000 0.818 427 L CB 1.955 44.027 42.059 0.021 0.000 1.325 427 L HN 0.072 nan 8.230 nan 0.000 0.418 428 S N 2.398 118.129 115.700 0.052 0.000 2.498 428 S HA 0.163 4.635 4.470 0.003 0.000 0.281 428 S C -1.710 172.954 174.600 0.107 0.000 1.265 428 S CA -0.876 57.368 58.200 0.074 0.000 1.071 428 S CB 0.892 64.155 63.200 0.106 0.000 0.894 428 S HN 0.369 nan 8.310 nan 0.000 0.491 429 P HA -0.094 nan 4.420 nan 0.000 0.215 429 P C 0.980 178.386 177.300 0.176 0.000 1.157 429 P CA 1.135 64.295 63.100 0.099 0.000 0.868 429 P CB 0.074 31.813 31.700 0.064 0.000 0.788 430 D N -0.897 119.605 120.400 0.171 0.000 2.117 430 D HA -0.150 4.491 4.640 0.003 0.000 0.197 430 D C 1.880 178.249 176.300 0.116 0.000 0.987 430 D CA 1.436 55.561 54.000 0.209 0.000 0.829 430 D CB -0.583 40.355 40.800 0.229 0.000 0.961 430 D HN -0.031 nan 8.370 nan 0.000 0.460 431 A N -0.609 122.273 122.820 0.105 0.000 1.930 431 A HA -0.087 4.235 4.320 0.003 0.000 0.217 431 A C 2.109 179.655 177.584 -0.064 0.000 1.175 431 A CA 0.969 52.965 52.037 -0.067 0.000 0.627 431 A CB -1.086 17.991 19.000 0.128 0.000 0.815 431 A HN 0.415 nan 8.150 nan 0.000 0.443 432 F N 0.744 120.658 119.950 -0.061 0.000 2.102 432 F HA -0.168 4.361 4.527 0.003 0.000 0.298 432 F C 1.950 177.726 175.800 -0.041 0.000 1.105 432 F CA 1.835 59.815 58.000 -0.033 0.000 1.239 432 F CB -0.201 38.822 39.000 0.039 0.000 0.991 432 F HN 0.183 nan 8.300 nan 0.000 0.474 433 I N -0.124 120.582 120.570 0.227 0.000 2.226 433 I HA -0.287 3.884 4.170 0.003 0.000 0.245 433 I C 2.391 178.440 176.117 -0.112 0.000 1.100 433 I CA 1.000 62.323 61.300 0.038 0.000 1.374 433 I CB -0.593 37.328 38.000 -0.131 0.000 1.057 433 I HN 0.203 nan 8.210 nan 0.000 0.413 434 Q N 0.239 119.947 119.800 -0.152 0.000 2.119 434 Q HA -0.121 4.221 4.340 0.003 0.000 0.201 434 Q C 2.516 178.417 176.000 -0.165 0.000 0.972 434 Q CA 1.310 56.999 55.803 -0.190 0.000 0.847 434 Q CB -0.364 28.102 28.738 -0.455 0.000 0.903 434 Q HN 0.399 nan 8.270 nan 0.000 0.433 435 V N 1.101 120.892 119.914 -0.204 0.000 2.427 435 V HA -0.212 3.909 4.120 0.003 0.000 0.248 435 V C 2.349 178.417 176.094 -0.044 0.000 1.051 435 V CA 1.577 63.807 62.300 -0.117 0.000 1.048 435 V CB -0.913 30.778 31.823 -0.220 0.000 0.666 435 V HN 0.299 nan 8.190 nan 0.000 0.456 436 A N -0.152 122.588 122.820 -0.133 0.000 1.933 436 A HA -0.186 4.136 4.320 0.003 0.000 0.218 436 A C 2.139 179.706 177.584 -0.029 0.000 1.175 436 A CA 1.957 53.943 52.037 -0.085 0.000 0.628 436 A CB -0.522 18.398 19.000 -0.134 0.000 0.814 436 A HN 0.454 nan 8.150 nan 0.000 0.444 437 L N -0.610 120.582 121.223 -0.051 0.000 2.093 437 L HA -0.153 4.189 4.340 0.003 0.000 0.208 437 L C 2.312 179.228 176.870 0.076 0.000 1.085 437 L CA 1.959 56.788 54.840 -0.019 0.000 0.755 437 L CB -0.580 41.462 42.059 -0.029 0.000 0.904 437 L HN 0.336 nan 8.230 nan 0.000 0.435 438 Q N -0.732 119.118 119.800 0.083 0.000 2.119 438 Q HA -0.164 4.177 4.340 0.003 0.000 0.201 438 Q C 2.239 178.360 176.000 0.202 0.000 0.972 438 Q CA 1.619 57.510 55.803 0.146 0.000 0.847 438 Q CB -0.603 28.207 28.738 0.121 0.000 0.903 438 Q HN 0.497 nan 8.270 nan 0.000 0.433 439 L N 0.603 121.917 121.223 0.152 0.000 2.056 439 L HA -0.034 4.308 4.340 0.003 0.000 0.207 439 L C 2.108 179.082 176.870 0.174 0.000 1.078 439 L CA 2.078 56.992 54.840 0.123 0.000 0.749 439 L CB -0.893 41.219 42.059 0.088 0.000 0.901 439 L HN 0.099 nan 8.230 nan 0.000 0.433 440 A N -1.385 121.527 122.820 0.153 0.000 1.902 440 A HA -0.287 4.035 4.320 0.003 0.000 0.217 440 A C 2.324 179.999 177.584 0.152 0.000 1.181 440 A CA 1.881 54.023 52.037 0.175 0.000 0.623 440 A CB -1.233 17.831 19.000 0.106 0.000 0.818 440 A HN 0.633 nan 8.150 nan 0.000 0.443 441 Y N -1.659 118.694 120.300 0.088 0.000 2.145 441 Y HA -0.248 4.304 4.550 0.003 0.000 0.286 441 Y C 2.269 178.288 175.900 0.198 0.000 1.145 441 Y CA 2.160 60.353 58.100 0.155 0.000 1.148 441 Y CB -0.478 38.085 38.460 0.171 0.000 0.981 441 Y HN 0.425 nan 8.280 nan 0.000 0.507 442 Y N 0.884 121.334 120.300 0.250 0.000 2.224 442 Y HA -0.217 4.334 4.550 0.003 0.000 0.289 442 Y C 2.434 178.345 175.900 0.018 0.000 1.146 442 Y CA 1.778 59.967 58.100 0.149 0.000 1.182 442 Y CB -0.289 38.235 38.460 0.108 0.000 0.983 442 Y HN 0.011 nan 8.280 nan 0.000 0.524 443 R N -0.309 120.257 120.500 0.111 0.000 2.096 443 R HA -0.143 4.199 4.340 0.003 0.000 0.235 443 R C 2.134 178.334 176.300 -0.166 0.000 1.127 443 R CA 1.902 58.036 56.100 0.056 0.000 0.968 443 R CB -0.324 30.128 30.300 0.253 0.000 0.861 443 R HN 0.413 nan 8.270 nan 0.000 0.440 444 I N -1.260 119.040 120.570 -0.450 0.000 2.339 444 I HA -0.198 3.973 4.170 0.003 0.000 0.245 444 I C 1.320 176.914 176.117 -0.873 0.000 1.096 444 I CA 1.223 61.996 61.300 -0.879 0.000 1.408 444 I CB -0.023 37.179 38.000 -1.329 0.000 1.092 444 I HN 0.111 nan 8.210 nan 0.000 0.423 445 Y N 0.320 120.325 120.300 -0.492 0.000 2.478 445 Y HA 0.283 4.835 4.550 0.003 0.000 0.261 445 Y C 1.864 177.555 175.900 -0.347 0.000 1.127 445 Y CA 0.418 58.272 58.100 -0.409 0.000 1.288 445 Y CB 0.243 38.388 38.460 -0.525 0.000 1.084 445 Y HN 0.271 nan 8.280 nan 0.000 0.530 446 G N 0.843 109.384 108.800 -0.432 0.000 2.148 446 G HA2 -0.257 3.705 3.960 0.003 0.000 0.254 446 G HA3 -0.257 3.705 3.960 0.003 0.000 0.254 446 G C -0.037 174.520 174.900 -0.572 0.000 0.981 446 G CA 0.526 45.238 45.100 -0.647 0.000 0.670 446 G HN 0.490 nan 8.290 nan 0.000 0.528 447 Q N -1.753 117.895 119.800 -0.252 0.000 2.633 447 Q HA 0.777 5.118 4.340 0.003 0.000 0.289 447 Q C -0.345 175.926 176.000 0.452 0.000 0.940 447 Q CA -0.536 55.383 55.803 0.193 0.000 0.785 447 Q CB 0.856 29.688 28.738 0.156 0.000 1.467 447 Q HN 1.349 nan 8.270 nan 0.000 0.401 448 A N 0.395 123.471 122.820 0.426 0.000 2.257 448 A HA 0.838 5.159 4.320 0.003 0.000 0.289 448 A C 0.086 177.784 177.584 0.191 0.000 1.095 448 A CA 0.112 52.348 52.037 0.331 0.000 0.836 448 A CB 0.588 19.721 19.000 0.221 0.000 1.111 448 A HN 1.180 nan 8.150 nan 0.000 0.497 449 C N -1.812 117.479 119.300 -0.016 0.000 3.090 449 C HA 0.841 5.303 4.460 0.003 0.000 0.305 449 C C 0.383 175.358 174.990 -0.025 0.000 1.292 449 C CA -0.500 58.472 59.018 -0.076 0.000 1.482 449 C CB 0.648 28.192 27.740 -0.327 0.000 1.897 449 C HN 1.824 nan 8.230 nan 0.000 0.469 450 A N 2.212 125.060 122.820 0.048 0.000 2.561 450 A HA 0.499 4.820 4.320 0.003 0.000 0.251 450 A C 0.444 178.206 177.584 0.298 0.000 1.062 450 A CA 0.831 52.955 52.037 0.144 0.000 0.761 450 A CB -0.532 18.459 19.000 -0.015 0.000 0.986 450 A HN 1.053 nan 8.150 nan 0.000 0.510 451 T N 2.590 117.352 114.554 0.347 0.000 2.824 451 T HA 0.485 4.836 4.350 0.003 0.000 0.282 451 T C -1.006 173.793 174.700 0.166 0.000 0.993 451 T CA -0.064 62.195 62.100 0.265 0.000 0.967 451 T CB 0.943 69.871 68.868 0.099 0.000 0.960 451 T HN 0.518 nan 8.240 nan 0.000 0.441 452 Y N 2.130 122.292 120.300 -0.231 0.000 2.352 452 Y HA 0.574 5.126 4.550 0.003 0.000 0.339 452 Y C -0.131 175.616 175.900 -0.255 0.000 0.992 452 Y CA -0.691 57.051 58.100 -0.596 0.000 1.100 452 Y CB 1.087 38.778 38.460 -1.282 0.000 1.192 452 Y HN 0.656 nan 8.280 nan 0.000 0.458 453 E N 4.077 124.056 120.200 -0.367 0.000 2.246 453 E HA 0.345 4.697 4.350 0.003 0.000 0.266 453 E C -1.308 175.088 176.600 -0.340 0.000 0.880 453 E CA -0.754 55.575 56.400 -0.117 0.000 0.762 453 E CB 1.440 31.136 29.700 -0.007 0.000 1.180 453 E HN 0.698 nan 8.360 nan 0.000 0.416 454 S N 1.928 117.596 115.700 -0.052 0.000 2.537 454 S HA 0.375 4.847 4.470 0.003 0.000 0.286 454 S C -0.343 174.198 174.600 -0.099 0.000 1.299 454 S CA -0.086 58.087 58.200 -0.045 0.000 1.067 454 S CB 0.999 64.265 63.200 0.111 0.000 0.864 454 S HN 0.539 nan 8.310 nan 0.000 0.494 455 A N 2.750 125.487 122.820 -0.139 0.000 2.356 455 A HA 0.653 4.975 4.320 0.003 0.000 0.310 455 A C 0.038 177.586 177.584 -0.060 0.000 1.075 455 A CA -0.667 51.313 52.037 -0.094 0.000 0.746 455 A CB 1.299 20.224 19.000 -0.124 0.000 1.221 455 A HN 0.637 nan 8.150 nan 0.000 0.443 456 S N 1.785 117.473 115.700 -0.020 0.000 2.528 456 S HA 0.399 4.871 4.470 0.003 0.000 0.277 456 S C 0.337 174.945 174.600 0.013 0.000 1.297 456 S CA -0.370 57.828 58.200 -0.002 0.000 1.052 456 S CB -0.081 63.126 63.200 0.011 0.000 0.917 456 S HN 0.602 nan 8.310 nan 0.000 0.492 457 L N 5.435 126.671 121.223 0.022 0.000 2.872 457 L HA 0.325 4.667 4.340 0.003 0.000 0.245 457 L C 1.861 178.807 176.870 0.127 0.000 1.211 457 L CA -0.082 54.827 54.840 0.115 0.000 1.013 457 L CB -0.054 42.048 42.059 0.071 0.000 1.326 457 L HN 0.663 nan 8.230 nan 0.000 0.525 458 R N 0.604 121.131 120.500 0.044 0.000 2.357 458 R HA -0.100 4.242 4.340 0.003 0.000 0.202 458 R C 2.146 178.425 176.300 -0.034 0.000 1.047 458 R CA 0.839 56.956 56.100 0.028 0.000 1.034 458 R CB -0.145 30.172 30.300 0.030 0.000 0.875 458 R HN 0.509 nan 8.270 nan 0.000 0.473 459 M N -1.503 117.998 119.600 -0.165 0.000 2.557 459 M HA 0.090 4.572 4.480 0.003 0.000 0.259 459 M C -0.404 175.591 176.300 -0.509 0.000 1.086 459 M CA 1.202 56.289 55.300 -0.356 0.000 1.096 459 M CB 0.214 32.509 32.600 -0.507 0.000 1.424 459 M HN -0.230 nan 8.290 nan 0.000 0.488 460 F N 0.241 120.199 119.950 0.013 0.000 2.470 460 F HA 0.364 4.893 4.527 0.003 0.000 0.329 460 F C 0.733 176.551 175.800 0.031 0.000 1.072 460 F CA -1.206 56.804 58.000 0.018 0.000 0.989 460 F CB 0.506 39.505 39.000 -0.003 0.000 1.193 460 F HN 0.000 nan 8.300 nan 0.000 0.481 461 H N 4.058 123.210 119.070 0.136 0.000 3.107 461 H HA 0.051 4.609 4.556 0.003 0.000 0.301 461 H C 0.700 176.052 175.328 0.040 0.000 0.981 461 H CA 0.508 56.579 56.048 0.038 0.000 1.443 461 H CB 0.278 30.043 29.762 0.005 0.000 1.479 461 H HN 0.846 nan 8.280 nan 0.000 0.564 462 L N 3.033 124.090 121.223 -0.276 0.000 4.496 462 L HA -0.229 4.113 4.340 0.003 0.000 0.419 462 L C 1.004 177.812 176.870 -0.103 0.000 1.139 462 L CA 0.613 55.301 54.840 -0.254 0.000 0.975 462 L CB -1.751 40.046 42.059 -0.438 0.000 2.099 462 L HN 0.782 nan 8.230 nan 0.000 0.818 463 G N -0.166 108.622 108.800 -0.021 0.000 2.398 463 G HA2 0.359 4.321 3.960 0.003 0.000 0.246 463 G HA3 0.359 4.321 3.960 0.003 0.000 0.246 463 G C 0.764 175.658 174.900 -0.010 0.000 1.289 463 G CA -0.263 44.836 45.100 -0.002 0.000 0.869 463 G HN 0.104 nan 8.290 nan 0.000 0.543 464 R N 0.361 120.825 120.500 -0.060 0.000 1.792 464 R HA 0.371 4.713 4.340 0.003 0.000 0.139 464 R C 1.024 177.277 176.300 -0.078 0.000 2.091 464 R CA 1.018 57.106 56.100 -0.021 0.000 1.697 464 R CB -0.602 29.729 30.300 0.052 0.000 1.340 464 R HN 0.701 nan 8.270 nan 0.000 0.481 465 T N -1.396 113.011 114.554 -0.246 0.000 2.841 465 T HA 0.563 4.915 4.350 0.003 0.000 0.296 465 T C -0.985 173.461 174.700 -0.423 0.000 1.166 465 T CA -0.819 61.132 62.100 -0.248 0.000 1.007 465 T CB 2.892 71.684 68.868 -0.127 0.000 1.253 465 T HN 0.066 nan 8.240 nan 0.000 0.511 466 D N -0.837 119.377 120.400 -0.310 0.000 2.636 466 D HA 0.556 5.198 4.640 0.003 0.000 0.275 466 D C -1.048 175.022 176.300 -0.383 0.000 1.130 466 D CA -0.263 53.538 54.000 -0.332 0.000 1.031 466 D CB 2.589 43.268 40.800 -0.202 0.000 1.451 466 D HN 0.670 nan 8.370 nan 0.000 0.505 467 T N 0.978 115.276 114.554 -0.426 0.000 2.794 467 T HA 0.545 4.896 4.350 0.003 0.000 0.280 467 T C 0.179 174.570 174.700 -0.514 0.000 0.987 467 T CA -0.397 61.298 62.100 -0.676 0.000 0.993 467 T CB 0.634 69.098 68.868 -0.675 0.000 0.939 467 T HN 0.158 nan 8.240 nan 0.000 0.449 468 I N 3.274 123.472 120.570 -0.620 0.000 2.321 468 I HA 0.355 4.527 4.170 0.003 0.000 0.291 468 I C 0.566 176.214 176.117 -0.783 0.000 0.998 468 I CA -0.653 60.207 61.300 -0.732 0.000 1.227 468 I CB 1.120 38.803 38.000 -0.528 0.000 1.368 468 I HN 0.321 nan 8.210 nan 0.000 0.466 469 R N 4.274 124.123 120.500 -1.085 0.000 2.204 469 R HA 0.249 4.591 4.340 0.003 0.000 0.341 469 R C 0.784 176.888 176.300 -0.327 0.000 1.035 469 R CA -0.204 55.624 56.100 -0.453 0.000 0.887 469 R CB 1.000 31.255 30.300 -0.075 0.000 1.114 469 R HN 0.631 nan 8.270 nan 0.000 0.473 470 S N 1.603 117.253 115.700 -0.083 0.000 2.453 470 S HA -0.053 4.419 4.470 0.003 0.000 0.231 470 S C 0.915 175.586 174.600 0.118 0.000 1.005 470 S CA 0.498 58.764 58.200 0.110 0.000 0.949 470 S CB 0.298 63.578 63.200 0.134 0.000 0.774 470 S HN 0.673 nan 8.310 nan 0.000 0.510 471 A N 2.375 125.256 122.820 0.102 0.000 2.310 471 A HA 0.604 4.926 4.320 0.003 0.000 0.300 471 A C 0.476 178.149 177.584 0.149 0.000 1.269 471 A CA -0.531 51.578 52.037 0.120 0.000 0.909 471 A CB 0.195 19.263 19.000 0.114 0.000 1.144 471 A HN 0.352 nan 8.150 nan 0.000 0.540 472 S N 1.918 117.706 115.700 0.147 0.000 2.732 472 S HA 0.610 5.081 4.470 0.003 0.000 0.293 472 S C 0.802 175.475 174.600 0.121 0.000 1.159 472 S CA -0.630 57.669 58.200 0.164 0.000 0.847 472 S CB 0.463 63.778 63.200 0.192 0.000 1.169 472 S HN 0.409 nan 8.310 nan 0.000 0.501 473 I N 1.006 121.644 120.570 0.112 0.000 2.163 473 I HA -0.176 3.995 4.170 0.003 0.000 0.243 473 I C 1.742 177.898 176.117 0.064 0.000 1.085 473 I CA 1.567 62.907 61.300 0.067 0.000 1.347 473 I CB -0.363 37.669 38.000 0.053 0.000 1.044 473 I HN 0.664 nan 8.210 nan 0.000 0.408 474 D N 0.272 120.724 120.400 0.085 0.000 2.183 474 D HA -0.123 4.519 4.640 0.003 0.000 0.203 474 D C 2.366 178.730 176.300 0.107 0.000 0.969 474 D CA 1.727 55.777 54.000 0.084 0.000 0.842 474 D CB -0.074 40.776 40.800 0.083 0.000 0.957 474 D HN 0.379 nan 8.370 nan 0.000 0.484 475 S N 0.617 116.387 115.700 0.117 0.000 2.387 475 S HA -0.111 4.360 4.470 0.003 0.000 0.226 475 S C 2.032 176.691 174.600 0.098 0.000 1.026 475 S CA 0.302 58.589 58.200 0.144 0.000 0.972 475 S CB -0.399 62.881 63.200 0.133 0.000 0.814 475 S HN 0.125 nan 8.310 nan 0.000 0.477 476 L N 2.168 123.417 121.223 0.043 0.000 2.093 476 L HA 0.249 4.591 4.340 0.003 0.000 0.208 476 L C 2.692 179.498 176.870 -0.106 0.000 1.085 476 L CA 1.581 56.389 54.840 -0.052 0.000 0.755 476 L CB -1.311 40.742 42.059 -0.011 0.000 0.904 476 L HN 0.370 nan 8.230 nan 0.000 0.435 477 A N -0.919 121.890 122.820 -0.019 0.000 1.902 477 A HA -0.261 4.061 4.320 0.003 0.000 0.217 477 A C 2.238 179.818 177.584 -0.007 0.000 1.181 477 A CA 1.861 53.888 52.037 -0.016 0.000 0.623 477 A CB -1.104 17.912 19.000 0.027 0.000 0.818 477 A HN 0.545 nan 8.150 nan 0.000 0.443 478 F N 1.361 121.258 119.950 -0.089 0.000 2.084 478 F HA -0.151 4.378 4.527 0.003 0.000 0.296 478 F C 2.331 178.057 175.800 -0.125 0.000 1.111 478 F CA 2.079 60.028 58.000 -0.086 0.000 1.224 478 F CB -0.680 38.280 39.000 -0.066 0.000 0.991 478 F HN 0.129 nan 8.300 nan 0.000 0.471 479 V N -0.950 118.627 119.914 -0.562 0.000 2.490 479 V HA -0.229 3.892 4.120 0.003 0.000 0.250 479 V C 2.242 177.934 176.094 -0.671 0.000 1.061 479 V CA 2.099 63.969 62.300 -0.716 0.000 1.064 479 V CB -1.094 30.419 31.823 -0.518 0.000 0.670 479 V HN 0.365 nan 8.190 nan 0.000 0.461 480 K N 1.140 121.179 120.400 -0.601 0.000 2.031 480 K HA 0.047 4.369 4.320 0.003 0.000 0.205 480 K C 2.360 178.831 176.600 -0.214 0.000 1.049 480 K CA 1.444 57.496 56.287 -0.392 0.000 0.939 480 K CB -0.766 31.578 32.500 -0.261 0.000 0.717 480 K HN 0.598 nan 8.250 nan 0.000 0.438 481 G N 1.289 109.965 108.800 -0.207 0.000 2.408 481 G HA2 -0.271 3.691 3.960 0.003 0.000 0.217 481 G HA3 -0.271 3.691 3.960 0.003 0.000 0.217 481 G C 1.460 176.267 174.900 -0.155 0.000 1.150 481 G CA 0.720 45.744 45.100 -0.126 0.000 0.776 481 G HN 0.141 nan 8.290 nan 0.000 0.542 482 M N 1.640 121.045 119.600 -0.325 0.000 2.108 482 M HA 0.051 4.533 4.480 0.003 0.000 0.261 482 M C 2.229 178.438 176.300 -0.151 0.000 1.066 482 M CA 1.822 56.936 55.300 -0.311 0.000 1.107 482 M CB -0.555 31.641 32.600 -0.673 0.000 1.356 482 M HN 0.107 nan 8.290 nan 0.000 0.406 483 G N -1.114 107.614 108.800 -0.120 0.000 3.042 483 G HA2 -0.022 3.940 3.960 0.003 0.000 0.212 483 G HA3 -0.022 3.940 3.960 0.003 0.000 0.212 483 G C -0.142 174.753 174.900 -0.008 0.000 1.166 483 G CA -0.171 44.912 45.100 -0.028 0.000 0.767 483 G HN 0.409 nan 8.290 nan 0.000 0.546 484 D N 1.321 121.705 120.400 -0.026 0.000 2.365 484 D HA 0.134 4.775 4.640 0.003 0.000 0.237 484 D C 1.684 177.981 176.300 -0.006 0.000 1.190 484 D CA -0.123 53.871 54.000 -0.010 0.000 0.867 484 D CB 1.180 41.969 40.800 -0.018 0.000 1.050 484 D HN 0.133 nan 8.370 nan 0.000 0.491 485 S N 1.384 117.084 115.700 0.001 0.000 2.660 485 S HA -0.116 4.355 4.470 0.003 0.000 0.228 485 S C 1.435 176.038 174.600 0.004 0.000 0.966 485 S CA 0.797 58.999 58.200 0.003 0.000 0.940 485 S CB -0.350 62.852 63.200 0.005 0.000 0.773 485 S HN 0.516 nan 8.310 nan 0.000 0.535 486 T N -1.993 112.562 114.554 0.002 0.000 3.023 486 T HA 0.358 4.709 4.350 0.003 0.000 0.253 486 T C 0.265 174.966 174.700 0.001 0.000 1.038 486 T CA -0.260 61.841 62.100 0.002 0.000 0.962 486 T CB -0.064 68.805 68.868 0.002 0.000 1.018 486 T HN 0.156 nan 8.240 nan 0.000 0.521 487 V N 3.561 123.474 119.914 -0.002 0.000 2.439 487 V HA 0.439 4.561 4.120 0.003 0.000 0.282 487 V C -2.321 173.771 176.094 -0.002 0.000 1.039 487 V CA -2.157 60.141 62.300 -0.004 0.000 0.913 487 V CB 1.295 33.112 31.823 -0.009 0.000 0.983 487 V HN 0.229 nan 8.190 nan 0.000 0.460 488 P HA 0.164 nan 4.420 nan 0.000 0.271 488 P C 0.802 178.083 177.300 -0.031 0.000 1.218 488 P CA -0.167 62.925 63.100 -0.012 0.000 0.780 488 P CB 0.729 32.416 31.700 -0.021 0.000 0.901 489 E N 1.156 121.337 120.200 -0.031 0.000 2.085 489 E HA -0.263 4.089 4.350 0.003 0.000 0.194 489 E C 1.613 178.058 176.600 -0.258 0.000 0.994 489 E CA 1.461 57.828 56.400 -0.056 0.000 0.801 489 E CB -0.107 29.675 29.700 0.137 0.000 0.743 489 E HN 0.513 nan 8.360 nan 0.000 0.453 490 Q N 0.528 120.069 119.800 -0.431 0.000 2.135 490 Q HA -0.236 4.106 4.340 0.003 0.000 0.204 490 Q C 2.021 177.924 176.000 -0.160 0.000 0.981 490 Q CA 1.577 57.136 55.803 -0.407 0.000 0.856 490 Q CB -0.195 28.378 28.738 -0.276 0.000 0.902 490 Q HN 0.125 nan 8.270 nan 0.000 0.425 491 Q N 0.942 120.687 119.800 -0.093 0.000 2.079 491 Q HA -0.117 4.224 4.340 0.003 0.000 0.200 491 Q C 1.378 177.383 176.000 0.008 0.000 0.974 491 Q CA 1.628 57.412 55.803 -0.032 0.000 0.840 491 Q CB 0.072 28.800 28.738 -0.018 0.000 0.898 491 Q HN 0.302 nan 8.270 nan 0.000 0.430 492 K N -0.755 119.658 120.400 0.022 0.000 2.147 492 K HA -0.074 4.247 4.320 0.003 0.000 0.205 492 K C 1.970 178.659 176.600 0.148 0.000 1.049 492 K CA 1.264 57.623 56.287 0.119 0.000 0.936 492 K CB -0.056 32.514 32.500 0.116 0.000 0.722 492 K HN 0.072 nan 8.250 nan 0.000 0.446 493 V N 2.037 121.979 119.914 0.047 0.000 2.358 493 V HA -0.226 3.896 4.120 0.003 0.000 0.246 493 V C 1.992 178.085 176.094 -0.002 0.000 1.047 493 V CA 1.744 64.062 62.300 0.029 0.000 1.035 493 V CB -0.410 31.415 31.823 0.004 0.000 0.658 493 V HN 0.334 nan 8.190 nan 0.000 0.452 494 E N 0.169 120.369 120.200 -0.001 0.000 2.051 494 E HA -0.195 4.157 4.350 0.003 0.000 0.192 494 E C 2.247 178.846 176.600 -0.002 0.000 0.991 494 E CA 1.284 57.681 56.400 -0.004 0.000 0.799 494 E CB -0.250 29.450 29.700 0.000 0.000 0.748 494 E HN 0.488 nan 8.360 nan 0.000 0.449 495 L N 0.912 122.162 121.223 0.045 0.000 2.083 495 L HA -0.189 4.152 4.340 0.003 0.000 0.209 495 L C 2.620 179.457 176.870 -0.055 0.000 1.083 495 L CA 0.723 55.618 54.840 0.092 0.000 0.752 495 L CB -0.366 41.839 42.059 0.243 0.000 0.899 495 L HN 0.200 nan 8.230 nan 0.000 0.433 496 L N -0.196 120.878 121.223 -0.249 0.000 1.994 496 L HA -0.237 4.105 4.340 0.003 0.000 0.208 496 L C 2.935 179.551 176.870 -0.423 0.000 1.071 496 L CA 1.483 55.823 54.840 -0.833 0.000 0.745 496 L CB -0.177 41.481 42.059 -0.668 0.000 0.892 496 L HN 0.152 nan 8.230 nan 0.000 0.431 497 R N -0.285 120.097 120.500 -0.197 0.000 2.096 497 R HA -0.223 4.118 4.340 0.003 0.000 0.235 497 R C 2.353 178.611 176.300 -0.071 0.000 1.127 497 R CA 1.729 57.767 56.100 -0.102 0.000 0.968 497 R CB -0.276 29.995 30.300 -0.047 0.000 0.861 497 R HN 0.344 nan 8.270 nan 0.000 0.440 498 K N 0.496 120.860 120.400 -0.059 0.000 2.097 498 K HA -0.073 4.249 4.320 0.003 0.000 0.205 498 K C 2.001 178.596 176.600 -0.007 0.000 1.050 498 K CA 1.201 57.479 56.287 -0.015 0.000 0.938 498 K CB -0.001 32.503 32.500 0.006 0.000 0.718 498 K HN 0.157 nan 8.250 nan 0.000 0.442 499 A N 0.354 123.140 122.820 -0.056 0.000 1.898 499 A HA -0.074 4.247 4.320 0.003 0.000 0.216 499 A C 2.171 179.754 177.584 -0.002 0.000 1.181 499 A CA 1.309 53.332 52.037 -0.024 0.000 0.620 499 A CB -0.479 18.471 19.000 -0.083 0.000 0.819 499 A HN 0.146 nan 8.150 nan 0.000 0.442 500 V N -0.025 119.851 119.914 -0.064 0.000 2.358 500 V HA -0.235 3.887 4.120 0.003 0.000 0.246 500 V C 2.736 178.875 176.094 0.074 0.000 1.047 500 V CA 1.971 64.270 62.300 -0.002 0.000 1.035 500 V CB -0.680 31.128 31.823 -0.026 0.000 0.658 500 V HN 0.513 nan 8.190 nan 0.000 0.452 501 Q N -0.131 119.696 119.800 0.046 0.000 2.124 501 Q HA -0.106 4.236 4.340 0.003 0.000 0.202 501 Q C 2.417 178.469 176.000 0.086 0.000 0.977 501 Q CA 1.868 57.707 55.803 0.060 0.000 0.850 501 Q CB -0.720 28.041 28.738 0.037 0.000 0.901 501 Q HN 0.648 nan 8.270 nan 0.000 0.429 502 A N 0.410 123.287 122.820 0.095 0.000 1.933 502 A HA -0.211 4.110 4.320 0.003 0.000 0.218 502 A C 2.018 179.696 177.584 0.156 0.000 1.175 502 A CA 1.565 53.672 52.037 0.118 0.000 0.628 502 A CB -0.722 18.351 19.000 0.122 0.000 0.814 502 A HN 0.425 nan 8.150 nan 0.000 0.444 503 H N -0.525 118.593 119.070 0.081 0.000 2.363 503 H HA -0.069 4.488 4.556 0.003 0.000 0.301 503 H C 2.331 177.712 175.328 0.089 0.000 1.074 503 H CA 1.813 57.908 56.048 0.078 0.000 1.354 503 H CB 0.046 29.830 29.762 0.036 0.000 1.397 503 H HN 0.395 nan 8.280 nan 0.000 0.516 504 R N 1.113 121.716 120.500 0.172 0.000 2.096 504 R HA -0.044 4.297 4.340 0.003 0.000 0.235 504 R C 2.407 178.745 176.300 0.064 0.000 1.127 504 R CA 1.623 57.793 56.100 0.118 0.000 0.968 504 R CB -0.861 29.503 30.300 0.107 0.000 0.861 504 R HN 0.323 nan 8.270 nan 0.000 0.440 505 A N -0.661 122.198 122.820 0.066 0.000 1.877 505 A HA -0.196 4.126 4.320 0.003 0.000 0.216 505 A C 2.253 179.852 177.584 0.025 0.000 1.186 505 A CA 1.525 53.587 52.037 0.043 0.000 0.620 505 A CB -1.099 17.928 19.000 0.045 0.000 0.822 505 A HN 0.575 nan 8.150 nan 0.000 0.443 506 Y N 0.873 121.098 120.300 -0.125 0.000 2.165 506 Y HA -0.245 4.307 4.550 0.003 0.000 0.286 506 Y C 2.818 178.599 175.900 -0.199 0.000 1.155 506 Y CA 1.975 59.957 58.100 -0.197 0.000 1.164 506 Y CB -0.204 38.111 38.460 -0.242 0.000 0.978 506 Y HN 0.357 nan 8.280 nan 0.000 0.513 507 T N -0.037 114.534 114.554 0.029 0.000 2.746 507 T HA -0.199 4.152 4.350 0.003 0.000 0.267 507 T C 1.279 175.995 174.700 0.027 0.000 1.039 507 T CA 1.575 63.668 62.100 -0.012 0.000 1.142 507 T CB -0.369 68.486 68.868 -0.021 0.000 0.866 507 T HN 0.398 nan 8.240 nan 0.000 0.444 508 D N 0.897 121.315 120.400 0.030 0.000 2.117 508 D HA -0.047 4.595 4.640 0.003 0.000 0.197 508 D C 2.410 178.729 176.300 0.031 0.000 0.987 508 D CA 0.944 54.964 54.000 0.033 0.000 0.829 508 D CB -0.184 40.636 40.800 0.033 0.000 0.961 508 D HN 0.350 nan 8.370 nan 0.000 0.460 509 R N 0.618 121.119 120.500 0.003 0.000 2.092 509 R HA 0.003 4.345 4.340 0.003 0.000 0.231 509 R C 2.322 178.633 176.300 0.019 0.000 1.119 509 R CA 1.030 57.120 56.100 -0.017 0.000 0.970 509 R CB -0.218 29.984 30.300 -0.164 0.000 0.864 509 R HN 0.079 nan 8.270 nan 0.000 0.440 510 A N 2.164 125.002 122.820 0.031 0.000 1.877 510 A HA -0.156 4.166 4.320 0.003 0.000 0.216 510 A C 2.208 179.827 177.584 0.058 0.000 1.186 510 A CA 1.605 53.666 52.037 0.040 0.000 0.620 510 A CB -0.672 18.348 19.000 0.033 0.000 0.822 510 A HN 0.460 nan 8.150 nan 0.000 0.443 511 I N -3.819 116.787 120.570 0.059 0.000 3.001 511 I HA -0.037 4.135 4.170 0.003 0.000 0.268 511 I C 1.692 177.900 176.117 0.151 0.000 1.267 511 I CA 1.132 62.478 61.300 0.077 0.000 1.472 511 I CB -0.231 37.792 38.000 0.038 0.000 1.089 511 I HN 0.104 nan 8.210 nan 0.000 0.468 512 R N 1.546 122.154 120.500 0.179 0.000 2.427 512 R HA 0.269 4.611 4.340 0.003 0.000 0.262 512 R C 1.130 177.693 176.300 0.439 0.000 0.943 512 R CA 0.473 56.744 56.100 0.285 0.000 1.081 512 R CB 0.524 30.926 30.300 0.169 0.000 1.166 512 R HN 0.595 nan 8.270 nan 0.000 0.534 513 G N 1.600 110.591 108.800 0.319 0.000 2.160 513 G HA2 -0.300 3.661 3.960 0.003 0.000 0.251 513 G HA3 -0.300 3.661 3.960 0.003 0.000 0.251 513 G C 0.327 175.270 174.900 0.072 0.000 1.008 513 G CA 0.300 45.452 45.100 0.087 0.000 0.724 513 G HN 0.474 nan 8.290 nan 0.000 0.514 514 E N -0.334 119.926 120.200 0.100 0.000 2.498 514 E HA 0.502 4.854 4.350 0.003 0.000 0.203 514 E C 1.695 178.348 176.600 0.090 0.000 1.013 514 E CA 0.218 56.686 56.400 0.112 0.000 0.927 514 E CB 0.497 30.263 29.700 0.111 0.000 1.012 514 E HN 0.728 nan 8.360 nan 0.000 0.482 515 A N 0.566 123.414 122.820 0.047 0.000 2.292 515 A HA 0.273 4.595 4.320 0.003 0.000 0.265 515 A C 0.513 178.211 177.584 0.189 0.000 1.133 515 A CA -0.107 51.934 52.037 0.006 0.000 0.807 515 A CB 0.048 19.040 19.000 -0.013 0.000 1.102 515 A HN 0.344 nan 8.150 nan 0.000 0.502 516 F N -2.851 117.217 119.950 0.197 0.000 2.789 516 F HA 0.296 4.825 4.527 0.003 0.000 0.320 516 F C 0.830 176.787 175.800 0.263 0.000 1.079 516 F CA 0.326 58.495 58.000 0.280 0.000 1.205 516 F CB -0.420 38.760 39.000 0.300 0.000 1.046 516 F HN 0.468 nan 8.300 nan 0.000 0.586 517 D N 1.327 121.548 120.400 -0.298 0.000 2.104 517 D HA -0.128 4.514 4.640 0.003 0.000 0.194 517 D C 2.088 178.486 176.300 0.162 0.000 0.994 517 D CA 1.665 55.642 54.000 -0.040 0.000 0.830 517 D CB -0.006 40.696 40.800 -0.163 0.000 0.959 517 D HN 0.026 nan 8.370 nan 0.000 0.452 518 R N -0.334 120.227 120.500 0.101 0.000 2.115 518 R HA -0.085 4.256 4.340 0.003 0.000 0.230 518 R C 2.098 178.673 176.300 0.458 0.000 1.111 518 R CA 0.861 57.057 56.100 0.160 0.000 0.976 518 R CB -0.999 29.275 30.300 -0.043 0.000 0.870 518 R HN 0.564 nan 8.270 nan 0.000 0.445 519 H N 0.617 119.899 119.070 0.353 0.000 2.321 519 H HA 0.002 4.559 4.556 0.003 0.000 0.300 519 H C 2.008 177.510 175.328 0.290 0.000 1.087 519 H CA 1.239 57.506 56.048 0.364 0.000 1.319 519 H CB 0.171 30.109 29.762 0.293 0.000 1.379 519 H HN 0.041 nan 8.280 nan 0.000 0.501 520 L N 0.390 121.794 121.223 0.302 0.000 2.083 520 L HA -0.174 4.167 4.340 0.003 0.000 0.209 520 L C 2.713 179.628 176.870 0.075 0.000 1.083 520 L CA 0.540 55.496 54.840 0.194 0.000 0.752 520 L CB -0.384 41.842 42.059 0.277 0.000 0.899 520 L HN 0.344 nan 8.230 nan 0.000 0.433 521 L N 0.529 121.841 121.223 0.148 0.000 2.046 521 L HA -0.069 4.273 4.340 0.003 0.000 0.208 521 L C 2.365 179.194 176.870 -0.068 0.000 1.077 521 L CA 2.173 57.022 54.840 0.015 0.000 0.747 521 L CB -1.067 41.088 42.059 0.159 0.000 0.896 521 L HN 0.102 nan 8.230 nan 0.000 0.432 522 G N -0.334 108.596 108.800 0.217 0.000 2.418 522 G HA2 -0.236 3.725 3.960 0.003 0.000 0.217 522 G HA3 -0.236 3.725 3.960 0.003 0.000 0.217 522 G C 1.610 176.539 174.900 0.047 0.000 1.158 522 G CA 1.107 46.382 45.100 0.292 0.000 0.771 522 G HN 0.448 nan 8.290 nan 0.000 0.545 523 L N -0.026 121.252 121.223 0.092 0.000 2.083 523 L HA -0.032 4.310 4.340 0.003 0.000 0.209 523 L C 2.813 179.681 176.870 -0.005 0.000 1.083 523 L CA 1.422 56.349 54.840 0.145 0.000 0.752 523 L CB -0.279 41.987 42.059 0.344 0.000 0.899 523 L HN 0.223 nan 8.230 nan 0.000 0.433 524 K N 0.662 120.781 120.400 -0.467 0.000 2.025 524 K HA -0.145 4.176 4.320 0.003 0.000 0.207 524 K C 2.136 178.480 176.600 -0.427 0.000 1.049 524 K CA 1.174 56.994 56.287 -0.779 0.000 0.933 524 K CB -0.026 31.674 32.500 -1.334 0.000 0.714 524 K HN 0.229 nan 8.250 nan 0.000 0.438 525 L N 0.773 121.675 121.223 -0.534 0.000 2.141 525 L HA -0.168 4.174 4.340 0.003 0.000 0.209 525 L C 2.688 179.316 176.870 -0.403 0.000 1.094 525 L CA 0.936 55.368 54.840 -0.681 0.000 0.763 525 L CB -0.398 40.767 42.059 -1.491 0.000 0.908 525 L HN 0.287 nan 8.230 nan 0.000 0.437 526 Q N 0.573 120.246 119.800 -0.211 0.000 2.084 526 Q HA -0.156 4.186 4.340 0.003 0.000 0.202 526 Q C 2.237 178.284 176.000 0.079 0.000 0.978 526 Q CA 2.037 57.918 55.803 0.131 0.000 0.844 526 Q CB -0.228 28.631 28.738 0.201 0.000 0.898 526 Q HN 0.416 nan 8.270 nan 0.000 0.426 527 A N 0.201 123.045 122.820 0.039 0.000 1.902 527 A HA -0.148 4.174 4.320 0.003 0.000 0.217 527 A C 2.144 179.747 177.584 0.031 0.000 1.181 527 A CA 1.521 53.595 52.037 0.062 0.000 0.623 527 A CB -0.764 18.303 19.000 0.111 0.000 0.818 527 A HN 0.483 nan 8.150 nan 0.000 0.443 528 I N -0.706 119.853 120.570 -0.018 0.000 2.179 528 I HA -0.266 3.906 4.170 0.003 0.000 0.242 528 I C 2.596 178.730 176.117 0.027 0.000 1.088 528 I CA 1.899 63.188 61.300 -0.017 0.000 1.357 528 I CB -0.335 37.622 38.000 -0.073 0.000 1.051 528 I HN 0.541 nan 8.210 nan 0.000 0.409 529 E N 0.901 121.138 120.200 0.062 0.000 2.150 529 E HA -0.246 4.106 4.350 0.003 0.000 0.193 529 E C 1.282 177.936 176.600 0.091 0.000 0.985 529 E CA 1.237 57.706 56.400 0.115 0.000 0.814 529 E CB 0.099 29.936 29.700 0.227 0.000 0.752 529 E HN 0.391 nan 8.360 nan 0.000 0.466 530 D N 0.195 120.643 120.400 0.080 0.000 2.371 530 D HA -0.024 4.618 4.640 0.003 0.000 0.221 530 D C 0.662 176.989 176.300 0.045 0.000 0.986 530 D CA 0.429 54.466 54.000 0.062 0.000 0.899 530 D CB 0.136 40.971 40.800 0.058 0.000 0.902 530 D HN 0.252 nan 8.370 nan 0.000 0.530 531 L N -0.794 120.454 121.223 0.042 0.000 3.898 531 L HA -0.198 4.144 4.340 0.003 0.000 0.407 531 L C 0.100 176.987 176.870 0.028 0.000 1.207 531 L CA -0.159 54.700 54.840 0.032 0.000 0.931 531 L CB -2.221 39.855 42.059 0.029 0.000 2.014 531 L HN -0.044 nan 8.230 nan 0.000 0.858 532 V N -4.178 115.756 119.914 0.033 0.000 2.975 532 V HA 0.708 4.830 4.120 0.003 0.000 0.318 532 V C 1.063 177.179 176.094 0.036 0.000 1.077 532 V CA -0.564 61.756 62.300 0.033 0.000 1.000 532 V CB 1.770 33.615 31.823 0.038 0.000 1.066 532 V HN 0.194 nan 8.190 nan 0.000 0.452 533 S N 2.583 118.303 115.700 0.033 0.000 2.558 533 S HA 0.238 4.710 4.470 0.003 0.000 0.288 533 S C 0.083 174.714 174.600 0.052 0.000 1.318 533 S CA -0.167 58.054 58.200 0.034 0.000 1.056 533 S CB 0.190 63.406 63.200 0.027 0.000 0.853 533 S HN 0.919 nan 8.310 nan 0.000 0.505 534 M N 4.713 124.343 119.600 0.050 0.000 2.390 534 M HA 0.170 4.652 4.480 0.003 0.000 0.353 534 M C -2.547 173.802 176.300 0.083 0.000 1.623 534 M CA -1.691 53.655 55.300 0.076 0.000 1.065 534 M CB -0.474 32.160 32.600 0.057 0.000 2.025 534 M HN 0.221 nan 8.290 nan 0.000 0.461 535 P HA -0.008 nan 4.420 nan 0.000 0.264 535 P C -0.061 177.170 177.300 -0.114 0.000 1.183 535 P CA 0.036 63.148 63.100 0.020 0.000 0.763 535 P CB 0.512 32.222 31.700 0.016 0.000 0.807 536 D N 2.325 122.651 120.400 -0.123 0.000 2.149 536 D HA -0.172 4.470 4.640 0.003 0.000 0.198 536 D C 1.720 177.873 176.300 -0.245 0.000 0.990 536 D CA 1.141 55.067 54.000 -0.124 0.000 0.839 536 D CB -0.263 40.489 40.800 -0.080 0.000 0.948 536 D HN 0.414 nan 8.370 nan 0.000 0.460 537 I N -0.080 120.175 120.570 -0.525 0.000 2.315 537 I HA -0.289 3.883 4.170 0.003 0.000 0.251 537 I C 1.520 177.195 176.117 -0.736 0.000 1.125 537 I CA 1.223 62.072 61.300 -0.751 0.000 1.392 537 I CB -0.064 37.107 38.000 -1.382 0.000 1.065 537 I HN -0.104 nan 8.210 nan 0.000 0.424 538 F N -0.553 119.122 119.950 -0.459 0.000 2.754 538 F HA 0.112 4.641 4.527 0.003 0.000 0.297 538 F C 1.978 177.692 175.800 -0.144 0.000 1.122 538 F CA -0.007 57.690 58.000 -0.505 0.000 1.400 538 F CB 0.045 38.762 39.000 -0.471 0.000 1.117 538 F HN -0.007 nan 8.300 nan 0.000 0.587 539 M N -0.720 118.907 119.600 0.046 0.000 2.371 539 M HA 0.078 4.560 4.480 0.003 0.000 0.246 539 M C -0.074 176.269 176.300 0.072 0.000 1.103 539 M CA -0.077 55.268 55.300 0.075 0.000 1.010 539 M CB -0.025 32.599 32.600 0.041 0.000 1.457 539 M HN -0.153 nan 8.290 nan 0.000 0.486 540 D N 0.829 121.270 120.400 0.068 0.000 2.414 540 D HA 0.004 4.646 4.640 0.003 0.000 0.242 540 D C 0.887 177.256 176.300 0.115 0.000 1.129 540 D CA 0.708 54.761 54.000 0.089 0.000 0.885 540 D CB 1.288 42.139 40.800 0.085 0.000 1.198 540 D HN -0.018 nan 8.370 nan 0.000 0.437 541 T N 1.848 116.435 114.554 0.055 0.000 2.759 541 T HA -0.135 4.217 4.350 0.003 0.000 0.269 541 T C 1.928 176.671 174.700 0.072 0.000 1.042 541 T CA 1.538 63.660 62.100 0.038 0.000 1.140 541 T CB -0.128 68.731 68.868 -0.016 0.000 0.864 541 T HN 0.376 nan 8.240 nan 0.000 0.455 542 S N 0.118 115.877 115.700 0.099 0.000 2.383 542 S HA -0.103 4.368 4.470 0.003 0.000 0.229 542 S C 1.651 176.376 174.600 0.208 0.000 1.030 542 S CA 0.964 59.233 58.200 0.117 0.000 1.002 542 S CB -0.441 62.805 63.200 0.077 0.000 0.829 542 S HN 0.634 nan 8.310 nan 0.000 0.467 543 Y N 1.858 122.252 120.300 0.156 0.000 2.242 543 Y HA -0.082 4.470 4.550 0.003 0.000 0.291 543 Y C 2.418 178.387 175.900 0.115 0.000 1.137 543 Y CA 0.937 59.161 58.100 0.206 0.000 1.181 543 Y CB -0.422 38.141 38.460 0.172 0.000 0.989 543 Y HN 0.257 nan 8.280 nan 0.000 0.527 544 A N 0.428 123.303 122.820 0.092 0.000 1.902 544 A HA -0.185 4.137 4.320 0.003 0.000 0.217 544 A C 2.182 179.720 177.584 -0.077 0.000 1.181 544 A CA 1.949 53.977 52.037 -0.015 0.000 0.623 544 A CB -1.029 17.986 19.000 0.025 0.000 0.818 544 A HN 0.576 nan 8.150 nan 0.000 0.443 545 I N -0.324 120.221 120.570 -0.042 0.000 2.202 545 I HA -0.260 3.911 4.170 0.003 0.000 0.242 545 I C 2.968 179.027 176.117 -0.097 0.000 1.091 545 I CA 1.056 62.325 61.300 -0.053 0.000 1.368 545 I CB -0.404 37.591 38.000 -0.009 0.000 1.058 545 I HN 0.351 nan 8.210 nan 0.000 0.410 546 A N 0.485 123.259 122.820 -0.076 0.000 1.978 546 A HA -0.177 4.144 4.320 0.003 0.000 0.220 546 A C 2.120 179.446 177.584 -0.430 0.000 1.170 546 A CA 1.509 53.494 52.037 -0.086 0.000 0.636 546 A CB -0.313 18.786 19.000 0.164 0.000 0.810 546 A HN 0.348 nan 8.150 nan 0.000 0.448 547 M N -0.670 118.608 119.600 -0.535 0.000 2.428 547 M HA 0.114 4.595 4.480 0.003 0.000 0.239 547 M C 0.424 176.273 176.300 -0.753 0.000 1.121 547 M CA 0.350 55.211 55.300 -0.733 0.000 1.019 547 M CB -0.675 31.611 32.600 -0.523 0.000 1.485 547 M HN 0.442 nan 8.290 nan 0.000 0.484 548 H N 0.560 119.244 119.070 -0.645 0.000 2.746 548 H HA 0.241 4.799 4.556 0.003 0.000 0.269 548 H C -1.302 173.810 175.328 -0.360 0.000 1.248 548 H CA -0.457 55.369 56.048 -0.370 0.000 1.258 548 H CB 0.011 29.656 29.762 -0.196 0.000 1.441 548 H HN -0.044 nan 8.280 nan 0.000 0.508 549 F N 4.469 124.350 119.950 -0.114 0.000 2.509 549 F HA 0.125 4.653 4.527 0.003 0.000 0.350 549 F C 1.685 177.458 175.800 -0.044 0.000 1.220 549 F CA -0.428 57.553 58.000 -0.033 0.000 1.151 549 F CB 0.133 39.136 39.000 0.005 0.000 1.379 549 F HN 0.493 nan 8.300 nan 0.000 0.610 550 N N 2.496 121.286 118.700 0.150 0.000 2.364 550 N HA -0.071 4.671 4.740 0.003 0.000 0.183 550 N C 0.122 175.742 175.510 0.184 0.000 1.022 550 N CA 0.899 54.029 53.050 0.133 0.000 0.883 550 N CB 0.413 38.961 38.487 0.101 0.000 0.965 550 N HN 0.390 nan 8.380 nan 0.000 0.438 551 L N 0.485 121.809 121.223 0.168 0.000 2.372 551 L HA 0.257 4.598 4.340 0.003 0.000 0.274 551 L C -0.509 176.494 176.870 0.221 0.000 0.988 551 L CA -0.360 54.591 54.840 0.184 0.000 0.833 551 L CB 2.146 44.241 42.059 0.060 0.000 1.236 551 L HN -0.207 nan 8.230 nan 0.000 0.410 552 S N 2.110 117.956 115.700 0.244 0.000 2.498 552 S HA 0.787 5.259 4.470 0.003 0.000 0.317 552 S C -0.341 174.492 174.600 0.388 0.000 1.090 552 S CA -0.344 57.983 58.200 0.211 0.000 1.089 552 S CB 1.137 64.416 63.200 0.132 0.000 0.997 552 S HN 0.705 nan 8.310 nan 0.000 0.470 553 T N 0.843 115.622 114.554 0.374 0.000 2.865 553 T HA 0.892 5.243 4.350 0.003 0.000 0.294 553 T C -0.699 174.216 174.700 0.358 0.000 1.119 553 T CA -0.497 61.875 62.100 0.454 0.000 1.007 553 T CB 1.499 70.596 68.868 0.382 0.000 1.225 553 T HN 1.155 nan 8.240 nan 0.000 0.515 554 S N -0.052 115.820 115.700 0.286 0.000 2.578 554 S HA 0.501 4.972 4.470 0.003 0.000 0.272 554 S C -1.713 172.712 174.600 -0.293 0.000 1.145 554 S CA -0.965 57.275 58.200 0.066 0.000 0.835 554 S CB 1.738 65.003 63.200 0.107 0.000 1.104 554 S HN 1.142 nan 8.310 nan 0.000 0.458 555 Q N 0.888 120.455 119.800 -0.390 0.000 2.337 555 Q HA 0.704 5.046 4.340 0.003 0.000 0.266 555 Q C -1.785 174.066 176.000 -0.248 0.000 1.023 555 Q CA -0.900 54.516 55.803 -0.645 0.000 0.829 555 Q CB 1.966 30.402 28.738 -0.503 0.000 1.306 555 Q HN 0.731 nan 8.270 nan 0.000 0.449 556 V N 5.593 125.389 119.914 -0.197 0.000 2.454 556 V HA 0.315 4.437 4.120 0.003 0.000 0.267 556 V C -2.405 173.654 176.094 -0.059 0.000 0.993 556 V CA -1.464 60.790 62.300 -0.077 0.000 0.836 556 V CB 1.090 32.899 31.823 -0.024 0.000 1.055 556 V HN 0.746 nan 8.190 nan 0.000 0.452 557 P HA 0.558 nan 4.420 nan 0.000 0.271 557 P C -0.434 176.865 177.300 -0.002 0.000 1.216 557 P CA 0.212 63.301 63.100 -0.018 0.000 0.776 557 P CB 1.178 32.878 31.700 0.000 0.000 0.881 558 A N 2.362 125.184 122.820 0.003 0.000 2.604 558 A HA 0.366 4.688 4.320 0.003 0.000 0.295 558 A C 0.595 178.192 177.584 0.023 0.000 1.067 558 A CA -0.645 51.402 52.037 0.017 0.000 0.683 558 A CB 1.180 20.190 19.000 0.016 0.000 1.281 558 A HN 0.375 nan 8.150 nan 0.000 0.407 559 K N 0.080 120.501 120.400 0.035 0.000 2.167 559 K HA 0.028 4.349 4.320 0.003 0.000 0.203 559 K C 0.222 176.850 176.600 0.046 0.000 1.052 559 K CA 1.144 57.455 56.287 0.039 0.000 0.956 559 K CB -0.081 32.447 32.500 0.046 0.000 0.735 559 K HN 0.717 nan 8.250 nan 0.000 0.451 560 T N 1.922 116.505 114.554 0.048 0.000 2.901 560 T HA -0.023 4.328 4.350 0.003 0.000 0.301 560 T C -0.035 174.703 174.700 0.063 0.000 1.012 560 T CA -0.116 62.019 62.100 0.059 0.000 1.135 560 T CB 0.884 69.789 68.868 0.062 0.000 0.936 560 T HN 0.034 nan 8.240 nan 0.000 0.539 561 D N 2.572 123.021 120.400 0.082 0.000 2.671 561 D HA 0.163 4.805 4.640 0.003 0.000 0.228 561 D C 0.368 176.724 176.300 0.094 0.000 1.102 561 D CA -0.578 53.491 54.000 0.114 0.000 1.044 561 D CB -0.907 39.980 40.800 0.146 0.000 1.113 561 D HN 0.602 nan 8.370 nan 0.000 0.480 562 C N -0.184 119.159 119.300 0.072 0.000 2.803 562 C HA 0.925 5.386 4.460 0.003 0.000 0.389 562 C C -0.082 174.939 174.990 0.053 0.000 1.433 562 C CA -0.858 58.197 59.018 0.061 0.000 1.714 562 C CB 1.322 29.095 27.740 0.055 0.000 2.106 562 C HN 0.215 nan 8.230 nan 0.000 0.480 563 V N 0.466 120.409 119.914 0.048 0.000 3.147 563 V HA 0.620 4.741 4.120 0.003 0.000 0.299 563 V C -1.160 174.963 176.094 0.049 0.000 1.302 563 V CA -0.486 61.841 62.300 0.045 0.000 1.015 563 V CB 2.273 34.129 31.823 0.055 0.000 1.086 563 V HN 1.071 nan 8.190 nan 0.000 0.437 564 M N 3.459 123.094 119.600 0.060 0.000 2.777 564 M HA 0.939 5.421 4.480 0.003 0.000 0.307 564 M C -0.431 175.909 176.300 0.066 0.000 1.228 564 M CA -0.663 54.687 55.300 0.083 0.000 0.871 564 M CB 2.172 34.852 32.600 0.134 0.000 1.721 564 M HN 0.889 nan 8.290 nan 0.000 0.487 565 A N 1.347 124.206 122.820 0.065 0.000 2.587 565 A HA 0.959 5.281 4.320 0.003 0.000 0.293 565 A C -1.779 175.847 177.584 0.070 0.000 1.087 565 A CA -0.581 51.429 52.037 -0.044 0.000 0.692 565 A CB 1.529 20.482 19.000 -0.079 0.000 1.291 565 A HN 0.825 nan 8.150 nan 0.000 0.407 566 F N -1.083 118.863 119.950 -0.007 0.000 2.703 566 F HA 0.731 5.260 4.527 0.003 0.000 0.308 566 F C 0.202 175.990 175.800 -0.018 0.000 1.126 566 F CA -0.580 57.411 58.000 -0.016 0.000 0.959 566 F CB 0.675 39.683 39.000 0.013 0.000 1.297 566 F HN 0.952 nan 8.300 nan 0.000 0.441 567 G N 1.077 109.988 108.800 0.186 0.000 2.569 567 G HA2 0.545 4.507 3.960 0.003 0.000 0.249 567 G HA3 0.545 4.507 3.960 0.003 0.000 0.249 567 G C -2.936 172.092 174.900 0.212 0.000 1.216 567 G CA -1.654 43.486 45.100 0.066 0.000 0.845 567 G HN 0.526 nan 8.290 nan 0.000 0.568 568 P HA 0.066 nan 4.420 nan 0.000 0.269 568 P C 1.129 178.623 177.300 0.322 0.000 1.217 568 P CA -0.194 62.973 63.100 0.112 0.000 0.783 568 P CB 0.865 32.486 31.700 -0.130 0.000 0.898 569 V N -0.399 119.644 119.914 0.215 0.000 3.650 569 V HA 0.147 4.269 4.120 0.003 0.000 0.271 569 V C 0.468 176.600 176.094 0.063 0.000 1.281 569 V CA 0.472 62.846 62.300 0.124 0.000 1.120 569 V CB -0.580 31.231 31.823 -0.020 0.000 0.856 569 V HN 0.332 nan 8.190 nan 0.000 0.443 570 V N -5.576 114.388 119.914 0.083 0.000 3.007 570 V HA 0.643 4.765 4.120 0.003 0.000 0.311 570 V C -2.079 174.112 176.094 0.162 0.000 1.120 570 V CA -1.860 60.423 62.300 -0.028 0.000 0.980 570 V CB 1.295 32.856 31.823 -0.436 0.000 1.033 570 V HN -0.017 nan 8.190 nan 0.000 0.429 571 P HA -0.116 nan 4.420 nan 0.000 0.216 571 P C 0.470 177.888 177.300 0.197 0.000 1.150 571 P CA 1.888 65.062 63.100 0.124 0.000 0.843 571 P CB 0.008 31.717 31.700 0.015 0.000 0.787 572 D N -1.395 119.089 120.400 0.141 0.000 2.587 572 D HA 0.206 4.848 4.640 0.003 0.000 0.233 572 D C 0.748 177.057 176.300 0.016 0.000 1.213 572 D CA -0.295 53.750 54.000 0.075 0.000 0.827 572 D CB -0.356 40.500 40.800 0.093 0.000 1.006 572 D HN 0.043 nan 8.370 nan 0.000 0.490 573 G N -0.874 107.925 108.800 -0.001 0.000 3.140 573 G HA2 0.576 4.537 3.960 0.003 0.000 0.271 573 G HA3 0.576 4.537 3.960 0.003 0.000 0.271 573 G C -1.618 173.161 174.900 -0.202 0.000 1.370 573 G CA -0.821 44.265 45.100 -0.024 0.000 1.014 573 G HN 0.077 nan 8.290 nan 0.000 0.541 574 Y N -1.421 118.915 120.300 0.061 0.000 2.536 574 Y HA 0.619 5.170 4.550 0.003 0.000 0.347 574 Y C 0.618 176.530 175.900 0.020 0.000 1.000 574 Y CA -0.644 57.460 58.100 0.007 0.000 1.051 574 Y CB 2.707 41.196 38.460 0.049 0.000 1.259 574 Y HN 0.701 nan 8.280 nan 0.000 0.468 575 G N 2.578 111.429 108.800 0.084 0.000 2.502 575 G HA2 0.668 4.630 3.960 0.003 0.000 0.311 575 G HA3 0.668 4.630 3.960 0.003 0.000 0.311 575 G C -1.295 173.408 174.900 -0.330 0.000 1.270 575 G CA -0.473 44.569 45.100 -0.096 0.000 0.948 575 G HN 0.514 nan 8.290 nan 0.000 0.487 576 I N 1.683 122.168 120.570 -0.142 0.000 2.466 576 I HA 0.381 4.553 4.170 0.003 0.000 0.289 576 I C -0.538 175.667 176.117 0.148 0.000 1.026 576 I CA -0.736 60.559 61.300 -0.008 0.000 1.078 576 I CB 2.176 40.266 38.000 0.151 0.000 1.249 576 I HN 0.411 nan 8.210 nan 0.000 0.429 577 C N 7.101 126.473 119.300 0.119 0.000 2.707 577 C HA 0.859 5.321 4.460 0.003 0.000 0.313 577 C C -1.243 173.917 174.990 0.283 0.000 1.209 577 C CA -0.385 58.758 59.018 0.209 0.000 1.635 577 C CB 1.466 29.303 27.740 0.162 0.000 2.206 577 C HN 0.745 nan 8.230 nan 0.000 0.485 578 Y N 2.194 122.523 120.300 0.048 0.000 2.581 578 Y HA 0.600 5.152 4.550 0.003 0.000 0.337 578 Y C -0.890 174.925 175.900 -0.142 0.000 1.108 578 Y CA -1.219 56.782 58.100 -0.165 0.000 1.033 578 Y CB 0.833 38.993 38.460 -0.500 0.000 1.318 578 Y HN 0.541 nan 8.280 nan 0.000 0.459 579 N N 3.580 122.242 118.700 -0.063 0.000 2.626 579 N HA 0.409 5.151 4.740 0.003 0.000 0.249 579 N C -3.286 172.174 175.510 -0.084 0.000 1.021 579 N CA -2.506 50.505 53.050 -0.066 0.000 0.886 579 N CB 1.800 40.263 38.487 -0.040 0.000 1.149 579 N HN 0.497 nan 8.380 nan 0.000 0.517 580 P HA 0.191 nan 4.420 nan 0.000 0.286 580 P C -0.203 177.044 177.300 -0.087 0.000 1.321 580 P CA -0.058 63.013 63.100 -0.048 0.000 0.790 580 P CB 0.711 32.451 31.700 0.067 0.000 0.897 581 M N 1.624 121.100 119.600 -0.207 0.000 2.531 581 M HA 0.200 4.682 4.480 0.003 0.000 0.262 581 M C 1.788 178.018 176.300 -0.117 0.000 1.168 581 M CA -0.560 54.608 55.300 -0.219 0.000 0.926 581 M CB 0.477 32.792 32.600 -0.476 0.000 1.445 581 M HN 0.194 nan 8.290 nan 0.000 0.531 582 E N 1.052 121.220 120.200 -0.053 0.000 2.051 582 E HA -0.089 4.263 4.350 0.003 0.000 0.192 582 E C 1.234 177.880 176.600 0.077 0.000 0.991 582 E CA 2.238 58.652 56.400 0.023 0.000 0.799 582 E CB 0.028 29.753 29.700 0.040 0.000 0.748 582 E HN 0.686 nan 8.360 nan 0.000 0.449 583 A N -0.328 122.556 122.820 0.107 0.000 2.431 583 A HA 0.199 4.521 4.320 0.003 0.000 0.239 583 A C 0.047 177.792 177.584 0.268 0.000 1.230 583 A CA 0.175 52.331 52.037 0.197 0.000 0.928 583 A CB -0.239 18.878 19.000 0.195 0.000 1.006 583 A HN 0.501 nan 8.150 nan 0.000 0.520 584 H N -2.341 116.800 119.070 0.117 0.000 2.981 584 H HA 0.648 5.206 4.556 0.003 0.000 0.327 584 H C -2.041 173.348 175.328 0.102 0.000 1.342 584 H CA -1.233 54.883 56.048 0.114 0.000 1.123 584 H CB 0.607 30.416 29.762 0.079 0.000 1.851 584 H HN 0.002 nan 8.280 nan 0.000 0.531 585 I N 1.492 122.154 120.570 0.152 0.000 2.533 585 I HA 0.241 4.412 4.170 0.003 0.000 0.290 585 I C -0.647 175.471 176.117 0.001 0.000 1.056 585 I CA -0.579 60.671 61.300 -0.085 0.000 1.057 585 I CB 2.079 39.908 38.000 -0.284 0.000 1.240 585 I HN 0.449 nan 8.210 nan 0.000 0.423 586 N N 5.547 124.203 118.700 -0.073 0.000 2.434 586 N HA 0.550 5.292 4.740 0.003 0.000 0.272 586 N C -1.385 174.069 175.510 -0.093 0.000 1.040 586 N CA -0.354 52.722 53.050 0.043 0.000 0.956 586 N CB 1.120 39.654 38.487 0.079 0.000 1.108 586 N HN 0.275 nan 8.380 nan 0.000 0.481 587 F N 0.568 120.607 119.950 0.149 0.000 2.546 587 F HA 0.477 5.006 4.527 0.003 0.000 0.320 587 F C 0.354 176.198 175.800 0.072 0.000 1.076 587 F CA -0.789 57.286 58.000 0.124 0.000 0.928 587 F CB 1.871 40.921 39.000 0.083 0.000 1.189 587 F HN 0.298 nan 8.300 nan 0.000 0.465 588 S N 1.227 117.088 115.700 0.268 0.000 2.538 588 S HA 0.897 5.369 4.470 0.003 0.000 0.288 588 S C -1.542 173.080 174.600 0.036 0.000 1.108 588 S CA -0.691 57.563 58.200 0.091 0.000 0.971 588 S CB 1.599 64.797 63.200 -0.002 0.000 1.041 588 S HN 0.384 nan 8.310 nan 0.000 0.483 589 V N 2.808 122.718 119.914 -0.007 0.000 2.577 589 V HA 0.777 4.899 4.120 0.003 0.000 0.303 589 V C -0.157 175.915 176.094 -0.036 0.000 1.042 589 V CA -0.495 61.790 62.300 -0.025 0.000 0.872 589 V CB 1.638 33.449 31.823 -0.020 0.000 0.998 589 V HN 1.156 nan 8.190 nan 0.000 0.423 590 S N 3.325 118.988 115.700 -0.061 0.000 2.600 590 S HA 1.016 5.488 4.470 0.003 0.000 0.300 590 S C -0.475 174.058 174.600 -0.111 0.000 1.087 590 S CA -0.145 57.986 58.200 -0.116 0.000 0.965 590 S CB 2.550 65.617 63.200 -0.223 0.000 1.089 590 S HN 1.669 nan 8.310 nan 0.000 0.496 591 A N 0.709 123.377 122.820 -0.254 0.000 2.581 591 A HA 0.733 5.054 4.320 0.003 0.000 0.290 591 A C -2.289 175.037 177.584 -0.430 0.000 1.119 591 A CA -0.825 50.974 52.037 -0.397 0.000 0.670 591 A CB 0.632 19.454 19.000 -0.296 0.000 1.280 591 A HN 0.764 nan 8.150 nan 0.000 0.425 592 Y N 1.216 121.466 120.300 -0.084 0.000 2.352 592 Y HA 0.334 4.886 4.550 0.003 0.000 0.339 592 Y C 1.307 177.183 175.900 -0.039 0.000 0.992 592 Y CA -1.179 56.900 58.100 -0.034 0.000 1.100 592 Y CB 1.521 39.977 38.460 -0.007 0.000 1.192 592 Y HN 0.705 nan 8.280 nan 0.000 0.458 593 N N 0.524 119.310 118.700 0.143 0.000 2.381 593 N HA -0.145 4.597 4.740 0.003 0.000 0.182 593 N C 1.716 177.265 175.510 0.064 0.000 1.025 593 N CA 1.327 54.421 53.050 0.073 0.000 0.888 593 N CB -0.078 38.441 38.487 0.053 0.000 0.965 593 N HN 0.682 nan 8.380 nan 0.000 0.438 594 S N -0.743 115.004 115.700 0.080 0.000 2.442 594 S HA -0.065 4.407 4.470 0.003 0.000 0.236 594 S C 1.259 175.881 174.600 0.036 0.000 1.007 594 S CA 0.036 58.258 58.200 0.038 0.000 0.965 594 S CB -0.470 62.732 63.200 0.004 0.000 0.773 594 S HN 0.345 nan 8.310 nan 0.000 0.504 595 C N 2.382 121.715 119.300 0.055 0.000 2.223 595 C HA 0.824 5.286 4.460 0.003 0.000 0.324 595 C C 1.708 176.715 174.990 0.028 0.000 1.196 595 C CA -0.573 58.468 59.018 0.037 0.000 1.628 595 C CB -0.536 27.226 27.740 0.037 0.000 2.229 595 C HN 0.581 nan 8.230 nan 0.000 0.486 596 A N 3.750 126.586 122.820 0.027 0.000 2.070 596 A HA -0.075 4.247 4.320 0.003 0.000 0.220 596 A C 1.761 179.369 177.584 0.040 0.000 1.159 596 A CA 1.530 53.584 52.037 0.028 0.000 0.656 596 A CB -0.216 18.798 19.000 0.023 0.000 0.800 596 A HN 0.888 nan 8.150 nan 0.000 0.453 597 E N 0.048 120.281 120.200 0.055 0.000 2.482 597 E HA 0.032 4.383 4.350 0.003 0.000 0.196 597 E C 0.694 177.398 176.600 0.173 0.000 1.047 597 E CA 0.884 57.352 56.400 0.115 0.000 0.869 597 E CB -0.106 29.674 29.700 0.135 0.000 0.836 597 E HN 0.717 nan 8.360 nan 0.000 0.520 598 T N -1.387 113.206 114.554 0.065 0.000 2.885 598 T HA 0.513 4.865 4.350 0.003 0.000 0.285 598 T C -0.447 174.281 174.700 0.046 0.000 1.019 598 T CA -1.051 61.058 62.100 0.015 0.000 1.010 598 T CB 1.701 70.314 68.868 -0.424 0.000 1.022 598 T HN -0.050 nan 8.240 nan 0.000 0.466 599 N N 0.656 119.471 118.700 0.192 0.000 2.572 599 N HA 0.326 5.068 4.740 0.003 0.000 0.287 599 N C 0.862 176.516 175.510 0.240 0.000 1.136 599 N CA -0.196 52.939 53.050 0.141 0.000 0.900 599 N CB 2.041 40.572 38.487 0.074 0.000 1.484 599 N HN 0.778 nan 8.380 nan 0.000 0.526 600 A N 3.519 126.444 122.820 0.174 0.000 1.883 600 A HA -0.104 4.217 4.320 0.003 0.000 0.217 600 A C 2.105 179.677 177.584 -0.019 0.000 1.186 600 A CA 2.327 54.447 52.037 0.138 0.000 0.624 600 A CB -0.759 18.273 19.000 0.054 0.000 0.822 600 A HN 0.777 nan 8.150 nan 0.000 0.444 601 A N -0.547 122.221 122.820 -0.087 0.000 1.883 601 A HA -0.205 4.117 4.320 0.003 0.000 0.217 601 A C 2.284 179.565 177.584 -0.504 0.000 1.186 601 A CA 1.916 53.772 52.037 -0.301 0.000 0.624 601 A CB -0.536 18.336 19.000 -0.213 0.000 0.822 601 A HN 0.569 nan 8.150 nan 0.000 0.444 602 R N -1.501 118.884 120.500 -0.191 0.000 2.081 602 R HA -0.167 4.174 4.340 0.003 0.000 0.235 602 R C 2.162 178.461 176.300 -0.001 0.000 1.131 602 R CA 1.961 58.041 56.100 -0.032 0.000 0.960 602 R CB -0.315 29.989 30.300 0.006 0.000 0.856 602 R HN 0.475 nan 8.270 nan 0.000 0.436 603 M N 0.515 120.055 119.600 -0.099 0.000 2.117 603 M HA -0.059 4.422 4.480 0.003 0.000 0.262 603 M C 1.997 178.220 176.300 -0.129 0.000 1.065 603 M CA 1.989 57.164 55.300 -0.208 0.000 1.114 603 M CB -0.411 31.867 32.600 -0.535 0.000 1.361 603 M HN 0.215 nan 8.290 nan 0.000 0.408 604 A N -0.996 121.738 122.820 -0.145 0.000 1.902 604 A HA -0.211 4.111 4.320 0.003 0.000 0.217 604 A C 2.023 179.619 177.584 0.020 0.000 1.181 604 A CA 2.083 54.047 52.037 -0.122 0.000 0.623 604 A CB -1.389 17.544 19.000 -0.112 0.000 0.818 604 A HN 0.785 nan 8.150 nan 0.000 0.443 605 H N -2.976 116.122 119.070 0.048 0.000 2.321 605 H HA -0.168 4.389 4.556 0.003 0.000 0.300 605 H C 1.989 177.328 175.328 0.018 0.000 1.087 605 H CA 1.683 57.760 56.048 0.047 0.000 1.319 605 H CB -0.175 29.628 29.762 0.068 0.000 1.379 605 H HN 0.592 nan 8.280 nan 0.000 0.501 606 Y N 0.244 120.569 120.300 0.043 0.000 2.293 606 Y HA -0.176 4.375 4.550 0.003 0.000 0.291 606 Y C 2.404 178.269 175.900 -0.059 0.000 1.137 606 Y CA 0.713 58.800 58.100 -0.022 0.000 1.202 606 Y CB -0.254 38.166 38.460 -0.066 0.000 0.990 606 Y HN 0.168 nan 8.280 nan 0.000 0.537 607 L N 0.533 121.771 121.223 0.025 0.000 2.027 607 L HA -0.173 4.169 4.340 0.003 0.000 0.206 607 L C 2.276 179.055 176.870 -0.151 0.000 1.074 607 L CA 2.057 56.810 54.840 -0.144 0.000 0.745 607 L CB -0.961 40.885 42.059 -0.355 0.000 0.898 607 L HN 0.319 nan 8.230 nan 0.000 0.433 608 E N -0.524 119.645 120.200 -0.053 0.000 2.058 608 E HA -0.325 4.027 4.350 0.003 0.000 0.194 608 E C 2.138 178.820 176.600 0.137 0.000 0.997 608 E CA 1.467 57.956 56.400 0.149 0.000 0.801 608 E CB -0.085 29.772 29.700 0.262 0.000 0.746 608 E HN 0.318 nan 8.360 nan 0.000 0.450 609 K N 0.582 120.998 120.400 0.028 0.000 2.148 609 K HA -0.024 4.298 4.320 0.003 0.000 0.204 609 K C 1.718 178.322 176.600 0.005 0.000 1.050 609 K CA 1.314 57.586 56.287 -0.025 0.000 0.942 609 K CB -0.454 31.967 32.500 -0.131 0.000 0.724 609 K HN 0.221 nan 8.250 nan 0.000 0.446 610 A N 0.525 123.351 122.820 0.009 0.000 1.898 610 A HA -0.081 4.241 4.320 0.003 0.000 0.216 610 A C 2.189 179.813 177.584 0.067 0.000 1.181 610 A CA 1.446 53.502 52.037 0.032 0.000 0.620 610 A CB -0.650 18.365 19.000 0.026 0.000 0.819 610 A HN 0.297 nan 8.150 nan 0.000 0.442 611 L N -0.664 120.598 121.223 0.066 0.000 2.046 611 L HA -0.194 4.148 4.340 0.003 0.000 0.208 611 L C 2.585 179.731 176.870 0.461 0.000 1.077 611 L CA 1.162 56.139 54.840 0.229 0.000 0.747 611 L CB -0.511 41.471 42.059 -0.128 0.000 0.896 611 L HN 0.376 nan 8.230 nan 0.000 0.432 612 L N -0.690 120.728 121.223 0.326 0.000 2.056 612 L HA -0.216 4.126 4.340 0.003 0.000 0.207 612 L C 2.208 179.162 176.870 0.140 0.000 1.078 612 L CA 1.039 56.022 54.840 0.239 0.000 0.749 612 L CB -0.602 41.462 42.059 0.009 0.000 0.901 612 L HN 0.262 nan 8.230 nan 0.000 0.433 613 D N -0.284 120.178 120.400 0.103 0.000 2.178 613 D HA -0.170 4.472 4.640 0.003 0.000 0.201 613 D C 2.301 178.679 176.300 0.129 0.000 0.980 613 D CA 1.298 55.347 54.000 0.081 0.000 0.842 613 D CB -0.055 40.777 40.800 0.054 0.000 0.948 613 D HN 0.304 nan 8.370 nan 0.000 0.472 614 M N -0.215 119.489 119.600 0.173 0.000 2.175 614 M HA -0.081 4.400 4.480 0.003 0.000 0.264 614 M C 2.279 178.756 176.300 0.296 0.000 1.063 614 M CA 0.940 56.356 55.300 0.193 0.000 1.119 614 M CB 0.017 32.602 32.600 -0.025 0.000 1.377 614 M HN -0.110 nan 8.290 nan 0.000 0.415 615 R N -0.133 120.518 120.500 0.252 0.000 2.075 615 R HA -0.119 4.222 4.340 0.003 0.000 0.232 615 R C 1.905 178.146 176.300 -0.098 0.000 1.126 615 R CA 1.939 57.933 56.100 -0.176 0.000 0.963 615 R CB -0.306 29.524 30.300 -0.784 0.000 0.858 615 R HN 0.229 nan 8.270 nan 0.000 0.435 616 T N 1.928 116.468 114.554 -0.023 0.000 2.684 616 T HA -0.175 4.176 4.350 0.003 0.000 0.267 616 T C 1.685 176.425 174.700 0.066 0.000 1.036 616 T CA 1.432 63.531 62.100 -0.002 0.000 1.148 616 T CB -0.284 68.589 68.868 0.009 0.000 0.863 616 T HN 0.179 nan 8.240 nan 0.000 0.436 617 L N 0.950 122.251 121.223 0.129 0.000 2.012 617 L HA -0.019 4.323 4.340 0.003 0.000 0.210 617 L C 2.174 179.192 176.870 0.246 0.000 1.073 617 L CA 1.683 56.642 54.840 0.198 0.000 0.748 617 L CB -0.700 41.484 42.059 0.209 0.000 0.891 617 L HN 0.259 nan 8.230 nan 0.000 0.431 618 L N -1.150 120.223 121.223 0.250 0.000 2.093 618 L HA -0.210 4.131 4.340 0.003 0.000 0.208 618 L C 2.612 179.617 176.870 0.225 0.000 1.085 618 L CA 1.277 56.281 54.840 0.273 0.000 0.755 618 L CB -0.577 41.715 42.059 0.389 0.000 0.904 618 L HN 0.396 nan 8.230 nan 0.000 0.435 619 Q N -0.164 119.744 119.800 0.181 0.000 2.230 619 Q HA -0.145 4.196 4.340 0.003 0.000 0.202 619 Q C 1.738 177.737 176.000 -0.002 0.000 0.963 619 Q CA 1.127 56.988 55.803 0.096 0.000 0.866 619 Q CB -0.125 28.631 28.738 0.030 0.000 0.931 619 Q HN 0.597 nan 8.270 nan 0.000 0.452 620 N N -0.309 118.357 118.700 -0.056 0.000 2.512 620 N HA -0.081 4.661 4.740 0.003 0.000 0.183 620 N C -0.232 174.883 175.510 -0.658 0.000 1.073 620 N CA 0.362 53.224 53.050 -0.313 0.000 0.911 620 N CB 0.277 38.564 38.487 -0.333 0.000 0.964 620 N HN 0.224 nan 8.380 nan 0.000 0.447 621 H N -0.294 118.808 119.070 0.054 0.000 2.490 621 H HA 0.259 4.816 4.556 0.003 0.000 0.230 621 H C -2.588 172.766 175.328 0.044 0.000 1.417 621 H CA -1.530 54.545 56.048 0.045 0.000 1.449 621 H CB 0.704 30.493 29.762 0.045 0.000 1.649 621 H HN 0.041 nan 8.280 nan 0.000 0.519 622 P HA 0.027 nan 4.420 nan 0.000 0.266 622 P C 1.168 178.508 177.300 0.065 0.000 1.193 622 P CA 0.006 63.145 63.100 0.065 0.000 0.770 622 P CB 1.286 33.009 31.700 0.037 0.000 0.836 623 R N 2.418 122.944 120.500 0.044 0.000 2.152 623 R HA -0.111 4.231 4.340 0.003 0.000 0.232 623 R C 1.875 178.191 176.300 0.027 0.000 1.117 623 R CA 1.600 57.719 56.100 0.033 0.000 0.981 623 R CB -0.696 29.611 30.300 0.013 0.000 0.870 623 R HN 0.507 nan 8.270 nan 0.000 0.451 624 A N 0.954 123.788 122.820 0.023 0.000 1.929 624 A HA -0.046 4.276 4.320 0.003 0.000 0.216 624 A C 1.126 178.724 177.584 0.023 0.000 1.176 624 A CA 0.944 52.992 52.037 0.018 0.000 0.628 624 A CB 0.145 19.153 19.000 0.013 0.000 0.816 624 A HN 0.212 nan 8.150 nan 0.000 0.444 625 K N 0.000 120.418 120.400 0.031 0.000 2.780 625 K HA 0.000 4.322 4.320 0.003 0.000 0.191 625 K CA 0.000 56.307 56.287 0.034 0.000 0.838 625 K CB 0.000 32.514 32.500 0.023 0.000 1.064 625 K HN 0.000 nan 8.250 nan 0.000 0.543