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 2h3w_1_B DATA FIRST_RESID 27 DATA SEQUENCE SHMAHQDALP RLPVPPLQQS LDYYLKALQP IVSEEEWAHT KQLVDEFQTS DATA SEQUENCE GGVGERLQKG LERRAKKMEN WLSEWWLKTA YLQFRQPVVI YSSPGVILPK DATA SEQUENCE QDFVDLQGQL RFAAKLIEGV LDFKSMIDNE TLPVEFLGGQ PLCMNQYYQI DATA SEQUENCE LSSCRVPGPK QDSVVNFLKS KRPPTHITVV HNYQFFELDV YHSDGTPLTS DATA SEQUENCE DQIFVQLEKI WNSSLQSNKE PVGILTSNHR NTWAKAYNNL IKDKVNRESV DATA SEQUENCE NSIQKSIFTV CLDKQVPRVS DDVYRNHVAG QMLHGGGSKF NSGNRWFDKT DATA SEQUENCE LQFIVAEDGS CGMVYEHAAA EGPPIVALVD HVMEYTKKPE LVRSPMVPLP DATA SEQUENCE MPKKLRFNIT PEIKNDIEKA KQNLSIMIQD LDIMMLTFHH FGKDFPKSEK DATA SEQUENCE LSPDAFIQVA LQLAYYRIYG QACATYESAS LRMFHLGRTD TIRSASIDSL DATA SEQUENCE AFVKGMGDST VPEQQKVELL RKAVQAHRAY TDRAIRGEAF DRHLLGLKLQ DATA SEQUENCE AIEDLVSMPD IFMDTSYAIA MHFNLSTAQV PAKTDCVGFF 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 0.091 0.000 1.055 27 S CA 0.000 58.231 58.200 0.052 0.000 1.107 27 S CB 0.000 63.222 63.200 0.036 0.000 0.593 28 H N 0.817 119.883 119.070 -0.007 0.000 2.276 28 H HA 0.162 4.707 4.556 -0.019 0.000 0.301 28 H C 2.137 177.461 175.328 -0.006 0.000 1.073 28 H CA 2.558 58.600 56.048 -0.010 0.000 1.311 28 H CB -0.296 29.369 29.762 -0.161 0.000 1.379 28 H HN 0.584 nan 8.280 nan 0.000 0.494 29 M N -0.218 119.291 119.600 -0.152 0.000 2.144 29 M HA -0.212 4.256 4.480 -0.019 0.000 0.260 29 M C 2.299 178.494 176.300 -0.176 0.000 1.067 29 M CA 1.897 57.070 55.300 -0.212 0.000 1.095 29 M CB -0.233 32.309 32.600 -0.097 0.000 1.365 29 M HN 0.467 nan 8.290 nan 0.000 0.406 30 A N -0.841 121.927 122.820 -0.086 0.000 1.877 30 A HA -0.264 4.044 4.320 -0.019 0.000 0.216 30 A C 1.809 179.361 177.584 -0.054 0.000 1.186 30 A CA 2.202 54.205 52.037 -0.056 0.000 0.620 30 A CB -1.186 17.808 19.000 -0.010 0.000 0.822 30 A HN 0.766 nan 8.150 nan 0.000 0.443 31 H N -0.290 118.705 119.070 -0.125 0.000 2.321 31 H HA -0.125 4.420 4.556 -0.019 0.000 0.300 31 H C 2.119 177.354 175.328 -0.156 0.000 1.087 31 H CA 2.174 58.154 56.048 -0.113 0.000 1.319 31 H CB -0.110 29.605 29.762 -0.079 0.000 1.379 31 H HN 0.379 nan 8.280 nan 0.000 0.501 32 Q N 0.495 120.043 119.800 -0.420 0.000 2.084 32 Q HA -0.134 4.195 4.340 -0.019 0.000 0.202 32 Q C 1.859 177.586 176.000 -0.455 0.000 0.978 32 Q CA 1.445 56.961 55.803 -0.477 0.000 0.844 32 Q CB -0.279 28.199 28.738 -0.433 0.000 0.898 32 Q HN 0.671 nan 8.270 nan 0.000 0.426 33 D N 0.591 120.783 120.400 -0.348 0.000 2.221 33 D HA -0.112 4.517 4.640 -0.019 0.000 0.204 33 D C 1.495 177.674 176.300 -0.202 0.000 0.982 33 D CA 1.271 55.108 54.000 -0.272 0.000 0.857 33 D CB 0.011 40.703 40.800 -0.180 0.000 0.934 33 D HN 0.256 nan 8.370 nan 0.000 0.475 34 A N 0.231 122.938 122.820 -0.190 0.000 2.169 34 A HA 0.084 4.393 4.320 -0.019 0.000 0.212 34 A C 1.204 178.706 177.584 -0.136 0.000 1.153 34 A CA 0.003 51.964 52.037 -0.127 0.000 0.756 34 A CB -0.174 18.779 19.000 -0.079 0.000 0.813 34 A HN 0.129 nan 8.150 nan 0.000 0.471 35 L N 1.643 122.743 121.223 -0.205 0.000 2.417 35 L HA 0.263 4.591 4.340 -0.019 0.000 0.268 35 L C -1.894 174.954 176.870 -0.037 0.000 1.158 35 L CA -1.980 52.772 54.840 -0.147 0.000 0.819 35 L CB 0.634 42.583 42.059 -0.183 0.000 1.112 35 L HN 0.140 nan 8.230 nan 0.000 0.458 36 P HA 0.177 nan 4.420 nan 0.000 0.274 36 P C -0.936 176.537 177.300 0.288 0.000 1.231 36 P CA -0.615 62.576 63.100 0.151 0.000 0.790 36 P CB 0.890 32.705 31.700 0.190 0.000 0.951 37 R N 0.975 121.618 120.500 0.239 0.000 2.459 37 R HA 0.349 4.678 4.340 -0.019 0.000 0.281 37 R C -0.159 176.225 176.300 0.139 0.000 1.050 37 R CA -1.096 55.127 56.100 0.205 0.000 1.055 37 R CB -0.587 29.792 30.300 0.130 0.000 1.045 37 R HN 0.425 nan 8.270 nan 0.000 0.495 38 L N 5.676 126.900 121.223 0.002 0.000 2.584 38 L HA 0.133 4.462 4.340 -0.019 0.000 0.272 38 L C -1.902 174.909 176.870 -0.098 0.000 1.195 38 L CA -0.438 54.213 54.840 -0.315 0.000 0.920 38 L CB 0.140 42.007 42.059 -0.321 0.000 1.173 38 L HN 0.576 nan 8.230 nan 0.000 0.489 39 P HA 0.201 nan 4.420 nan 0.000 0.278 39 P C -1.398 175.928 177.300 0.043 0.000 1.266 39 P CA -0.468 62.586 63.100 -0.077 0.000 0.807 39 P CB 1.407 33.018 31.700 -0.148 0.000 1.094 40 V N 1.951 121.786 119.914 -0.131 0.000 2.326 40 V HA 0.259 4.368 4.120 -0.019 0.000 0.281 40 V C -2.114 173.779 176.094 -0.335 0.000 1.015 40 V CA -1.749 60.331 62.300 -0.368 0.000 0.823 40 V CB 0.749 32.253 31.823 -0.533 0.000 1.009 40 V HN 0.541 nan 8.190 nan 0.000 0.436 41 P HA 0.178 nan 4.420 nan 0.000 0.269 41 P C -2.619 174.619 177.300 -0.102 0.000 1.217 41 P CA -0.871 62.132 63.100 -0.163 0.000 0.783 41 P CB -0.093 31.603 31.700 -0.006 0.000 0.898 42 P HA -0.002 nan 4.420 nan 0.000 0.269 42 P C 0.777 178.178 177.300 0.168 0.000 1.209 42 P CA -0.176 62.958 63.100 0.055 0.000 0.776 42 P CB 0.363 32.082 31.700 0.033 0.000 0.876 43 L N 3.529 124.840 121.223 0.147 0.000 1.989 43 L HA -0.232 4.097 4.340 -0.019 0.000 0.211 43 L C 2.296 179.208 176.870 0.070 0.000 1.071 43 L CA 2.018 56.944 54.840 0.142 0.000 0.749 43 L CB -1.238 40.836 42.059 0.024 0.000 0.890 43 L HN 0.429 nan 8.230 nan 0.000 0.431 44 Q N -1.152 118.660 119.800 0.019 0.000 2.124 44 Q HA -0.290 4.038 4.340 -0.019 0.000 0.202 44 Q C 2.299 178.270 176.000 -0.048 0.000 0.977 44 Q CA 1.997 57.787 55.803 -0.021 0.000 0.850 44 Q CB -0.221 28.494 28.738 -0.038 0.000 0.901 44 Q HN 0.733 nan 8.270 nan 0.000 0.429 45 Q N -0.398 119.386 119.800 -0.026 0.000 2.030 45 Q HA -0.172 4.157 4.340 -0.019 0.000 0.204 45 Q C 2.035 177.997 176.000 -0.063 0.000 0.986 45 Q CA 2.010 57.757 55.803 -0.094 0.000 0.843 45 Q CB -0.097 28.654 28.738 0.020 0.000 0.904 45 Q HN 0.329 nan 8.270 nan 0.000 0.420 46 S N 0.757 116.554 115.700 0.161 0.000 2.383 46 S HA -0.073 4.385 4.470 -0.019 0.000 0.227 46 S C 1.919 176.526 174.600 0.012 0.000 1.026 46 S CA 0.939 59.302 58.200 0.271 0.000 0.981 46 S CB -0.176 63.289 63.200 0.441 0.000 0.818 46 S HN 0.352 nan 8.310 nan 0.000 0.472 47 L N 1.062 122.266 121.223 -0.031 0.000 2.093 47 L HA -0.142 4.187 4.340 -0.019 0.000 0.208 47 L C 2.372 179.195 176.870 -0.080 0.000 1.085 47 L CA 1.408 56.214 54.840 -0.057 0.000 0.755 47 L CB -0.580 41.466 42.059 -0.022 0.000 0.904 47 L HN 0.286 nan 8.230 nan 0.000 0.435 48 D N -0.645 119.677 120.400 -0.131 0.000 2.097 48 D HA -0.239 4.389 4.640 -0.019 0.000 0.195 48 D C 2.062 178.282 176.300 -0.133 0.000 0.989 48 D CA 1.514 55.414 54.000 -0.166 0.000 0.827 48 D CB -0.018 40.617 40.800 -0.275 0.000 0.966 48 D HN 0.185 nan 8.370 nan 0.000 0.456 49 Y N -0.688 119.568 120.300 -0.073 0.000 2.224 49 Y HA -0.124 4.415 4.550 -0.019 0.000 0.289 49 Y C 2.089 177.840 175.900 -0.247 0.000 1.146 49 Y CA 0.947 59.004 58.100 -0.071 0.000 1.182 49 Y CB -1.140 37.363 38.460 0.072 0.000 0.983 49 Y HN 0.149 nan 8.280 nan 0.000 0.524 50 Y N 0.444 120.317 120.300 -0.711 0.000 2.097 50 Y HA -0.267 4.271 4.550 -0.019 0.000 0.282 50 Y C 2.105 177.881 175.900 -0.207 0.000 1.152 50 Y CA 1.468 59.018 58.100 -0.917 0.000 1.136 50 Y CB -0.886 37.089 38.460 -0.808 0.000 0.975 50 Y HN 0.063 nan 8.280 nan 0.000 0.498 51 L N 0.057 121.128 121.223 -0.253 0.000 2.079 51 L HA -0.270 4.058 4.340 -0.019 0.000 0.210 51 L C 2.486 179.499 176.870 0.239 0.000 1.081 51 L CA 1.853 56.609 54.840 -0.140 0.000 0.752 51 L CB -0.541 41.467 42.059 -0.085 0.000 0.896 51 L HN 0.176 nan 8.230 nan 0.000 0.433 52 K N -0.122 120.388 120.400 0.183 0.000 2.097 52 K HA -0.086 4.223 4.320 -0.019 0.000 0.205 52 K C 2.175 178.907 176.600 0.220 0.000 1.050 52 K CA 1.243 57.658 56.287 0.213 0.000 0.938 52 K CB -0.203 32.420 32.500 0.205 0.000 0.718 52 K HN 0.274 nan 8.250 nan 0.000 0.442 53 A N 0.991 123.967 122.820 0.259 0.000 2.066 53 A HA -0.039 4.269 4.320 -0.019 0.000 0.218 53 A C 1.957 179.687 177.584 0.243 0.000 1.157 53 A CA 0.944 53.185 52.037 0.340 0.000 0.670 53 A CB -0.352 19.014 19.000 0.610 0.000 0.804 53 A HN 0.140 nan 8.150 nan 0.000 0.453 54 L N -1.176 120.135 121.223 0.146 0.000 2.209 54 L HA -0.148 4.180 4.340 -0.019 0.000 0.207 54 L C 2.685 179.679 176.870 0.207 0.000 1.094 54 L CA 0.694 55.609 54.840 0.126 0.000 0.790 54 L CB -0.517 41.517 42.059 -0.042 0.000 0.932 54 L HN 0.449 nan 8.230 nan 0.000 0.447 55 Q N 0.509 120.428 119.800 0.199 0.000 2.118 55 Q HA -0.229 4.099 4.340 -0.019 0.000 0.211 55 Q C -0.588 175.417 176.000 0.009 0.000 0.998 55 Q CA 2.144 57.933 55.803 -0.023 0.000 0.872 55 Q CB -1.114 27.518 28.738 -0.178 0.000 0.925 55 Q HN 0.466 nan 8.270 nan 0.000 0.414 56 P HA -0.060 nan 4.420 nan 0.000 0.236 56 P C 0.892 178.252 177.300 0.099 0.000 1.177 56 P CA 1.095 64.238 63.100 0.072 0.000 0.773 56 P CB -0.079 31.674 31.700 0.089 0.000 0.878 57 I N -3.253 117.382 120.570 0.109 0.000 4.081 57 I HA 0.246 4.404 4.170 -0.019 0.000 0.333 57 I C 0.156 176.332 176.117 0.097 0.000 1.413 57 I CA -0.625 60.739 61.300 0.107 0.000 1.110 57 I CB 0.839 38.902 38.000 0.105 0.000 1.082 57 I HN -0.315 nan 8.210 nan 0.000 0.402 58 V N -1.044 118.936 119.914 0.109 0.000 3.040 58 V HA 0.709 4.817 4.120 -0.019 0.000 0.312 58 V C 0.400 176.560 176.094 0.110 0.000 1.115 58 V CA -0.348 62.019 62.300 0.111 0.000 0.998 58 V CB 1.346 33.253 31.823 0.140 0.000 1.042 58 V HN 0.315 nan 8.190 nan 0.000 0.433 59 S N 1.020 116.779 115.700 0.097 0.000 2.589 59 S HA 0.220 4.679 4.470 -0.019 0.000 0.265 59 S C 0.769 175.439 174.600 0.117 0.000 1.342 59 S CA 0.513 58.763 58.200 0.084 0.000 1.005 59 S CB 0.467 63.707 63.200 0.066 0.000 0.909 59 S HN 0.874 nan 8.310 nan 0.000 0.555 60 E N 0.803 121.054 120.200 0.085 0.000 2.110 60 E HA -0.165 4.173 4.350 -0.019 0.000 0.193 60 E C 1.801 178.499 176.600 0.164 0.000 0.988 60 E CA 1.503 57.963 56.400 0.101 0.000 0.804 60 E CB -0.155 29.570 29.700 0.043 0.000 0.745 60 E HN 0.727 nan 8.360 nan 0.000 0.458 61 E N 1.068 121.339 120.200 0.117 0.000 2.072 61 E HA -0.156 4.182 4.350 -0.019 0.000 0.191 61 E C 1.786 178.469 176.600 0.138 0.000 0.985 61 E CA 1.029 57.494 56.400 0.109 0.000 0.801 61 E CB -0.090 29.645 29.700 0.058 0.000 0.750 61 E HN 0.301 nan 8.360 nan 0.000 0.452 62 E N -0.576 119.705 120.200 0.134 0.000 2.106 62 E HA -0.174 4.164 4.350 -0.019 0.000 0.192 62 E C 1.726 178.425 176.600 0.164 0.000 0.984 62 E CA 0.792 57.275 56.400 0.138 0.000 0.806 62 E CB -0.224 29.541 29.700 0.108 0.000 0.750 62 E HN 0.333 nan 8.360 nan 0.000 0.458 63 W N 1.464 122.774 121.300 0.017 0.000 2.379 63 W HA -0.121 4.528 4.660 -0.019 0.000 0.307 63 W C 2.455 178.967 176.519 -0.011 0.000 1.200 63 W CA 1.887 59.220 57.345 -0.019 0.000 1.297 63 W CB -0.253 29.190 29.460 -0.028 0.000 1.140 63 W HN 0.022 nan 8.180 nan 0.000 0.507 64 A N -0.458 122.579 122.820 0.362 0.000 1.892 64 A HA -0.339 3.969 4.320 -0.019 0.000 0.218 64 A C 2.108 179.695 177.584 0.006 0.000 1.188 64 A CA 2.099 54.265 52.037 0.215 0.000 0.631 64 A CB -1.678 17.461 19.000 0.231 0.000 0.822 64 A HN 0.649 nan 8.150 nan 0.000 0.447 65 H N -0.514 118.529 119.070 -0.044 0.000 2.293 65 H HA -0.120 4.424 4.556 -0.019 0.000 0.300 65 H C 2.090 177.323 175.328 -0.159 0.000 1.082 65 H CA 2.044 58.045 56.048 -0.078 0.000 1.308 65 H CB -0.157 29.579 29.762 -0.042 0.000 1.375 65 H HN 0.429 nan 8.280 nan 0.000 0.495 66 T N 0.840 115.225 114.554 -0.282 0.000 2.737 66 T HA -0.167 4.171 4.350 -0.019 0.000 0.269 66 T C 1.968 176.363 174.700 -0.510 0.000 1.040 66 T CA 1.806 63.663 62.100 -0.406 0.000 1.142 66 T CB -0.182 68.467 68.868 -0.365 0.000 0.861 66 T HN 0.234 nan 8.240 nan 0.000 0.456 67 K N 1.356 121.369 120.400 -0.646 0.000 2.097 67 K HA -0.054 4.255 4.320 -0.019 0.000 0.206 67 K C 2.317 178.701 176.600 -0.360 0.000 1.049 67 K CA 1.444 57.346 56.287 -0.640 0.000 0.933 67 K CB -0.338 31.689 32.500 -0.788 0.000 0.717 67 K HN 0.342 nan 8.250 nan 0.000 0.442 68 Q N -0.181 119.437 119.800 -0.303 0.000 2.079 68 Q HA -0.059 4.270 4.340 -0.019 0.000 0.200 68 Q C 2.033 177.892 176.000 -0.236 0.000 0.974 68 Q CA 1.441 57.115 55.803 -0.216 0.000 0.840 68 Q CB -0.035 28.604 28.738 -0.165 0.000 0.898 68 Q HN 0.356 nan 8.270 nan 0.000 0.430 69 L N -0.251 120.765 121.223 -0.346 0.000 2.131 69 L HA -0.177 4.152 4.340 -0.019 0.000 0.210 69 L C 2.324 179.073 176.870 -0.202 0.000 1.092 69 L CA 0.627 55.287 54.840 -0.300 0.000 0.759 69 L CB -0.363 41.455 42.059 -0.402 0.000 0.903 69 L HN 0.123 nan 8.230 nan 0.000 0.435 70 V N -0.320 119.463 119.914 -0.218 0.000 2.307 70 V HA -0.264 3.844 4.120 -0.019 0.000 0.245 70 V C 2.108 178.170 176.094 -0.054 0.000 1.045 70 V CA 1.815 64.038 62.300 -0.129 0.000 1.024 70 V CB -0.444 31.277 31.823 -0.170 0.000 0.651 70 V HN 0.414 nan 8.190 nan 0.000 0.449 71 D N -0.291 120.050 120.400 -0.097 0.000 2.144 71 D HA -0.188 4.440 4.640 -0.019 0.000 0.199 71 D C 2.183 178.454 176.300 -0.049 0.000 0.984 71 D CA 1.512 55.470 54.000 -0.070 0.000 0.834 71 D CB -0.081 40.672 40.800 -0.079 0.000 0.955 71 D HN 0.518 nan 8.370 nan 0.000 0.465 72 E N -0.205 119.967 120.200 -0.048 0.000 2.107 72 E HA -0.125 4.214 4.350 -0.019 0.000 0.191 72 E C 1.788 178.392 176.600 0.006 0.000 0.982 72 E CA 0.396 56.777 56.400 -0.031 0.000 0.809 72 E CB -0.405 29.270 29.700 -0.041 0.000 0.756 72 E HN 0.160 nan 8.360 nan 0.000 0.459 73 F N 1.718 121.573 119.950 -0.157 0.000 2.171 73 F HA -0.120 4.395 4.527 -0.019 0.000 0.300 73 F C 1.846 177.566 175.800 -0.133 0.000 1.090 73 F CA 1.980 59.879 58.000 -0.169 0.000 1.293 73 F CB -0.097 38.761 39.000 -0.236 0.000 1.013 73 F HN 0.202 nan 8.300 nan 0.000 0.486 74 Q N -0.731 118.991 119.800 -0.129 0.000 2.198 74 Q HA 0.163 4.491 4.340 -0.019 0.000 0.209 74 Q C 0.718 176.633 176.000 -0.142 0.000 0.848 74 Q CA 0.031 55.711 55.803 -0.205 0.000 0.974 74 Q CB -0.327 28.343 28.738 -0.114 0.000 1.115 74 Q HN 0.179 nan 8.270 nan 0.000 0.494 75 T N 0.909 115.395 114.554 -0.114 0.000 2.856 75 T HA 0.098 4.436 4.350 -0.019 0.000 0.306 75 T C 0.061 174.705 174.700 -0.094 0.000 1.062 75 T CA -0.116 61.932 62.100 -0.086 0.000 1.083 75 T CB 0.780 69.609 68.868 -0.065 0.000 0.984 75 T HN 0.333 nan 8.240 nan 0.000 0.542 76 S N 2.022 117.679 115.700 -0.072 0.000 2.544 76 S HA 0.371 4.829 4.470 -0.019 0.000 0.290 76 S C 1.424 175.984 174.600 -0.067 0.000 1.276 76 S CA 0.571 58.730 58.200 -0.067 0.000 1.075 76 S CB 0.074 63.244 63.200 -0.050 0.000 0.849 76 S HN 1.298 nan 8.310 nan 0.000 0.494 77 G N 2.560 111.317 108.800 -0.073 0.000 2.143 77 G HA2 -0.181 3.768 3.960 -0.019 0.000 0.248 77 G HA3 -0.181 3.768 3.960 -0.019 0.000 0.248 77 G C 0.391 175.244 174.900 -0.079 0.000 0.991 77 G CA -0.057 45.004 45.100 -0.066 0.000 0.689 77 G HN 1.075 nan 8.290 nan 0.000 0.522 78 G N -1.497 107.236 108.800 -0.111 0.000 2.525 78 G HA2 0.579 4.528 3.960 -0.019 0.000 0.287 78 G HA3 0.579 4.528 3.960 -0.019 0.000 0.287 78 G C 1.199 175.995 174.900 -0.172 0.000 1.350 78 G CA 0.352 45.372 45.100 -0.133 0.000 1.039 78 G HN 0.650 nan 8.290 nan 0.000 0.513 79 V N 0.815 120.612 119.914 -0.196 0.000 2.323 79 V HA -0.022 4.086 4.120 -0.019 0.000 0.244 79 V C 3.117 178.959 176.094 -0.421 0.000 1.041 79 V CA 2.299 64.482 62.300 -0.194 0.000 1.025 79 V CB -1.096 30.706 31.823 -0.034 0.000 0.656 79 V HN 0.811 nan 8.190 nan 0.000 0.451 80 G N -0.535 107.647 108.800 -1.031 0.000 2.469 80 G HA2 -0.334 3.614 3.960 -0.019 0.000 0.219 80 G HA3 -0.334 3.614 3.960 -0.019 0.000 0.219 80 G C 1.515 176.074 174.900 -0.568 0.000 1.150 80 G CA 1.125 45.379 45.100 -1.411 0.000 0.763 80 G HN 0.576 nan 8.290 nan 0.000 0.561 81 E N 0.103 120.055 120.200 -0.413 0.000 2.085 81 E HA -0.161 4.178 4.350 -0.019 0.000 0.194 81 E C 2.672 179.178 176.600 -0.157 0.000 0.994 81 E CA 0.882 57.146 56.400 -0.227 0.000 0.801 81 E CB -0.076 29.517 29.700 -0.179 0.000 0.743 81 E HN 0.407 nan 8.360 nan 0.000 0.453 82 R N -0.112 120.299 120.500 -0.149 0.000 2.073 82 R HA -0.052 4.276 4.340 -0.019 0.000 0.229 82 R C 2.609 178.872 176.300 -0.062 0.000 1.120 82 R CA 1.043 57.091 56.100 -0.086 0.000 0.967 82 R CB -0.227 30.034 30.300 -0.066 0.000 0.862 82 R HN 0.262 nan 8.270 nan 0.000 0.436 83 L N 0.527 121.707 121.223 -0.072 0.000 2.046 83 L HA -0.217 4.111 4.340 -0.019 0.000 0.208 83 L C 2.676 179.545 176.870 -0.001 0.000 1.077 83 L CA 1.226 56.064 54.840 -0.003 0.000 0.747 83 L CB -0.434 41.657 42.059 0.054 0.000 0.896 83 L HN 0.164 nan 8.230 nan 0.000 0.432 84 Q N 0.483 120.260 119.800 -0.040 0.000 2.084 84 Q HA -0.200 4.128 4.340 -0.019 0.000 0.202 84 Q C 2.190 178.162 176.000 -0.047 0.000 0.978 84 Q CA 1.591 57.383 55.803 -0.018 0.000 0.844 84 Q CB 0.022 28.743 28.738 -0.030 0.000 0.898 84 Q HN 0.146 nan 8.270 nan 0.000 0.426 85 K N -0.470 119.899 120.400 -0.051 0.000 2.063 85 K HA -0.080 4.229 4.320 -0.019 0.000 0.208 85 K C 2.031 178.607 176.600 -0.040 0.000 1.048 85 K CA 1.352 57.610 56.287 -0.048 0.000 0.928 85 K CB -0.881 31.593 32.500 -0.044 0.000 0.713 85 K HN 0.439 nan 8.250 nan 0.000 0.442 86 G N 1.234 110.023 108.800 -0.018 0.000 2.422 86 G HA2 -0.200 3.748 3.960 -0.019 0.000 0.218 86 G HA3 -0.200 3.748 3.960 -0.019 0.000 0.218 86 G C 1.687 176.583 174.900 -0.007 0.000 1.146 86 G CA 0.385 45.490 45.100 0.008 0.000 0.769 86 G HN 0.158 nan 8.290 nan 0.000 0.547 87 L N -0.085 121.112 121.223 -0.044 0.000 2.056 87 L HA -0.010 4.319 4.340 -0.019 0.000 0.207 87 L C 2.882 179.607 176.870 -0.242 0.000 1.078 87 L CA 1.074 55.816 54.840 -0.164 0.000 0.749 87 L CB -0.352 41.530 42.059 -0.295 0.000 0.901 87 L HN 0.294 nan 8.230 nan 0.000 0.433 88 E N -0.266 119.825 120.200 -0.181 0.000 2.153 88 E HA -0.191 4.148 4.350 -0.019 0.000 0.194 88 E C 2.311 178.854 176.600 -0.095 0.000 0.988 88 E CA 0.760 57.067 56.400 -0.154 0.000 0.811 88 E CB 0.029 29.663 29.700 -0.110 0.000 0.746 88 E HN 0.386 nan 8.360 nan 0.000 0.466 89 R N 0.451 120.910 120.500 -0.069 0.000 2.090 89 R HA -0.029 4.299 4.340 -0.019 0.000 0.228 89 R C 2.417 178.695 176.300 -0.038 0.000 1.110 89 R CA 0.723 56.798 56.100 -0.041 0.000 0.973 89 R CB -0.172 30.112 30.300 -0.026 0.000 0.869 89 R HN 0.051 nan 8.270 nan 0.000 0.440 90 R N 0.735 121.205 120.500 -0.051 0.000 2.096 90 R HA -0.090 4.239 4.340 -0.019 0.000 0.235 90 R C 1.961 178.260 176.300 -0.001 0.000 1.127 90 R CA 1.485 57.557 56.100 -0.047 0.000 0.968 90 R CB -0.139 30.113 30.300 -0.080 0.000 0.861 90 R HN 0.178 nan 8.270 nan 0.000 0.440 91 A N 0.683 123.502 122.820 -0.002 0.000 2.119 91 A HA -0.054 4.255 4.320 -0.019 0.000 0.217 91 A C 1.657 179.266 177.584 0.041 0.000 1.153 91 A CA 0.903 52.986 52.037 0.078 0.000 0.692 91 A CB -0.069 18.952 19.000 0.036 0.000 0.799 91 A HN 0.176 nan 8.150 nan 0.000 0.458 92 K N -0.053 120.350 120.400 0.005 0.000 2.400 92 K HA -0.021 4.287 4.320 -0.019 0.000 0.194 92 K C 0.970 177.572 176.600 0.004 0.000 1.033 92 K CA 1.159 57.448 56.287 0.003 0.000 1.021 92 K CB 0.128 32.623 32.500 -0.009 0.000 0.808 92 K HN 0.784 nan 8.250 nan 0.000 0.505 93 K N -0.476 119.924 120.400 -0.000 0.000 2.438 93 K HA 0.289 4.597 4.320 -0.019 0.000 0.205 93 K C 0.307 176.902 176.600 -0.007 0.000 1.033 93 K CA -0.080 56.203 56.287 -0.006 0.000 1.089 93 K CB 0.527 33.018 32.500 -0.014 0.000 0.857 93 K HN -0.110 nan 8.250 nan 0.000 0.522 94 M N 0.787 120.390 119.600 0.005 0.000 2.531 94 M HA 0.258 4.727 4.480 -0.019 0.000 0.286 94 M C 0.087 176.407 176.300 0.033 0.000 1.232 94 M CA -0.611 54.690 55.300 0.001 0.000 0.877 94 M CB 2.584 35.167 32.600 -0.029 0.000 1.726 94 M HN -0.038 nan 8.290 nan 0.000 0.463 95 E N 0.950 121.173 120.200 0.039 0.000 2.106 95 E HA -0.071 4.268 4.350 -0.019 0.000 0.192 95 E C 0.279 176.923 176.600 0.074 0.000 0.984 95 E CA 0.880 57.344 56.400 0.107 0.000 0.806 95 E CB 0.221 30.031 29.700 0.183 0.000 0.750 95 E HN 0.421 nan 8.360 nan 0.000 0.458 96 N N -0.047 118.636 118.700 -0.029 0.000 2.533 96 N HA -0.015 4.713 4.740 -0.019 0.000 0.289 96 N C 0.221 175.638 175.510 -0.154 0.000 1.103 96 N CA -0.462 52.514 53.050 -0.123 0.000 0.877 96 N CB 0.660 39.016 38.487 -0.219 0.000 1.419 96 N HN 0.193 nan 8.380 nan 0.000 0.517 97 W N 4.007 125.243 121.300 -0.106 0.000 2.421 97 W HA -0.073 4.576 4.660 -0.019 0.000 0.270 97 W C 0.388 176.808 176.519 -0.166 0.000 1.233 97 W CA 0.225 57.468 57.345 -0.169 0.000 1.226 97 W CB -0.169 29.215 29.460 -0.126 0.000 1.121 97 W HN 0.425 nan 8.180 nan 0.000 0.579 98 L N 1.453 122.152 121.223 -0.873 0.000 2.408 98 L HA 0.142 4.470 4.340 -0.019 0.000 0.215 98 L C 2.568 179.322 176.870 -0.193 0.000 1.081 98 L CA 1.366 55.793 54.840 -0.688 0.000 0.840 98 L CB -0.582 40.723 42.059 -1.256 0.000 1.002 98 L HN -0.206 nan 8.230 nan 0.000 0.468 99 S N 0.278 115.851 115.700 -0.212 0.000 2.414 99 S HA -0.368 4.090 4.470 -0.019 0.000 0.238 99 S C 1.839 176.476 174.600 0.062 0.000 1.055 99 S CA 2.300 60.467 58.200 -0.055 0.000 1.174 99 S CB -0.454 62.686 63.200 -0.100 0.000 1.087 99 S HN 0.656 nan 8.310 nan 0.000 0.428 100 E N -0.560 119.644 120.200 0.006 0.000 2.051 100 E HA -0.181 4.157 4.350 -0.019 0.000 0.192 100 E C 1.959 178.678 176.600 0.198 0.000 0.991 100 E CA 1.214 57.647 56.400 0.055 0.000 0.799 100 E CB -0.145 29.538 29.700 -0.027 0.000 0.748 100 E HN 0.568 nan 8.360 nan 0.000 0.449 101 W N 0.801 122.144 121.300 0.072 0.000 2.335 101 W HA -0.213 4.436 4.660 -0.019 0.000 0.311 101 W C 2.233 178.814 176.519 0.104 0.000 1.213 101 W CA 0.644 58.042 57.345 0.089 0.000 1.274 101 W CB -1.440 28.100 29.460 0.133 0.000 1.148 101 W HN 0.396 nan 8.180 nan 0.000 0.498 102 W N 0.538 121.934 121.300 0.159 0.000 2.354 102 W HA -0.245 4.404 4.660 -0.020 0.000 0.315 102 W C 2.226 178.750 176.519 0.007 0.000 1.206 102 W CA 1.416 58.776 57.345 0.024 0.000 1.290 102 W CB -0.749 28.699 29.460 -0.020 0.000 1.152 102 W HN -0.171 nan 8.180 nan 0.000 0.489 103 L N 2.064 123.348 121.223 0.101 0.000 2.042 103 L HA -0.235 4.094 4.340 -0.019 0.000 0.210 103 L C 2.559 179.416 176.870 -0.021 0.000 1.076 103 L CA 2.573 57.452 54.840 0.065 0.000 0.749 103 L CB -1.089 41.053 42.059 0.139 0.000 0.893 103 L HN -0.097 nan 8.230 nan 0.000 0.432 104 K N -1.522 118.883 120.400 0.008 0.000 2.001 104 K HA -0.133 4.176 4.320 -0.019 0.000 0.208 104 K C 1.872 178.409 176.600 -0.106 0.000 1.048 104 K CA 1.886 58.173 56.287 0.000 0.000 0.932 104 K CB -0.199 32.349 32.500 0.080 0.000 0.715 104 K HN 0.414 nan 8.250 nan 0.000 0.437 105 T N 0.543 114.991 114.554 -0.176 0.000 2.812 105 T HA -0.048 4.291 4.350 -0.019 0.000 0.264 105 T C 1.835 176.219 174.700 -0.527 0.000 1.042 105 T CA 1.231 63.166 62.100 -0.274 0.000 1.140 105 T CB -0.150 68.585 68.868 -0.221 0.000 0.870 105 T HN 0.362 nan 8.240 nan 0.000 0.445 106 A N -0.514 121.730 122.820 -0.960 0.000 2.016 106 A HA 0.164 4.472 4.320 -0.019 0.000 0.217 106 A C 1.554 178.330 177.584 -1.346 0.000 1.162 106 A CA 0.861 51.991 52.037 -1.511 0.000 0.662 106 A CB -0.297 17.104 19.000 -2.665 0.000 0.812 106 A HN 0.645 nan 8.150 nan 0.000 0.450 107 Y N -2.125 117.961 120.300 -0.357 0.000 3.116 107 Y HA 0.270 4.809 4.550 -0.019 0.000 0.220 107 Y C 1.940 177.832 175.900 -0.013 0.000 0.965 107 Y CA -0.346 57.676 58.100 -0.129 0.000 1.476 107 Y CB -0.060 38.320 38.460 -0.135 0.000 1.493 107 Y HN -0.019 nan 8.280 nan 0.000 0.423 108 L N 0.659 121.951 121.223 0.116 0.000 2.043 108 L HA -0.273 4.055 4.340 -0.019 0.000 0.212 108 L C 1.625 178.524 176.870 0.049 0.000 1.075 108 L CA 1.846 56.731 54.840 0.076 0.000 0.752 108 L CB -0.535 41.557 42.059 0.054 0.000 0.891 108 L HN 0.426 nan 8.230 nan 0.000 0.432 109 Q N -1.146 118.670 119.800 0.027 0.000 2.403 109 Q HA 0.011 4.340 4.340 -0.019 0.000 0.203 109 Q C 0.046 176.092 176.000 0.076 0.000 0.932 109 Q CA -0.214 55.604 55.803 0.025 0.000 0.945 109 Q CB 0.288 29.023 28.738 -0.005 0.000 1.045 109 Q HN 0.184 nan 8.270 nan 0.000 0.511 110 F N 1.944 121.827 119.950 -0.112 0.000 2.466 110 F HA 0.105 4.620 4.527 -0.019 0.000 0.363 110 F C 0.704 176.435 175.800 -0.115 0.000 1.109 110 F CA -0.503 57.422 58.000 -0.125 0.000 1.161 110 F CB 0.493 39.409 39.000 -0.140 0.000 1.117 110 F HN -0.151 nan 8.300 nan 0.000 0.539 111 R N 2.493 122.801 120.500 -0.320 0.000 2.297 111 R HA 0.078 4.406 4.340 -0.019 0.000 0.197 111 R C 0.600 176.328 176.300 -0.953 0.000 0.943 111 R CA 0.143 55.963 56.100 -0.467 0.000 1.038 111 R CB -0.361 29.822 30.300 -0.195 0.000 0.957 111 R HN 0.597 nan 8.270 nan 0.000 0.484 112 Q N 1.274 120.391 119.800 -1.139 0.000 2.454 112 Q HA 0.176 4.504 4.340 -0.019 0.000 0.247 112 Q C -2.143 173.481 176.000 -0.626 0.000 1.028 112 Q CA -1.817 53.400 55.803 -0.976 0.000 0.910 112 Q CB -0.022 28.034 28.738 -1.137 0.000 1.276 112 Q HN -0.047 nan 8.270 nan 0.000 0.489 113 P HA -0.098 nan 4.420 nan 0.000 0.266 113 P C 0.867 178.136 177.300 -0.053 0.000 1.195 113 P CA 0.215 63.253 63.100 -0.104 0.000 0.768 113 P CB 0.434 32.137 31.700 0.005 0.000 0.838 114 V N 1.766 121.623 119.914 -0.095 0.000 2.667 114 V HA -0.071 4.038 4.120 -0.019 0.000 0.252 114 V C 0.812 176.843 176.094 -0.105 0.000 1.065 114 V CA 0.980 63.265 62.300 -0.024 0.000 1.083 114 V CB -0.859 30.973 31.823 0.016 0.000 0.692 114 V HN 0.145 nan 8.190 nan 0.000 0.468 115 V N 2.105 121.837 119.914 -0.302 0.000 2.529 115 V HA 0.210 4.319 4.120 -0.019 0.000 0.292 115 V C 1.384 177.200 176.094 -0.463 0.000 1.028 115 V CA 0.992 63.009 62.300 -0.472 0.000 1.074 115 V CB 0.115 31.462 31.823 -0.793 0.000 0.958 115 V HN 0.632 nan 8.190 nan 0.000 0.481 116 I N 1.339 121.735 120.570 -0.290 0.000 4.407 116 I HA -0.435 3.723 4.170 -0.019 0.000 0.066 116 I C 1.460 177.505 176.117 -0.120 0.000 0.591 116 I CA 2.004 63.151 61.300 -0.256 0.000 1.050 116 I CB -1.273 36.411 38.000 -0.527 0.000 0.939 116 I HN 0.657 nan 8.210 nan 0.000 0.169 117 Y N -0.211 120.177 120.300 0.146 0.000 2.457 117 Y HA -0.027 4.511 4.550 -0.019 0.000 0.292 117 Y C 2.419 178.494 175.900 0.292 0.000 1.125 117 Y CA 1.120 59.361 58.100 0.235 0.000 1.254 117 Y CB 0.060 38.623 38.460 0.172 0.000 1.012 117 Y HN 0.358 nan 8.280 nan 0.000 0.555 118 S N -1.554 114.321 115.700 0.291 0.000 3.624 118 S HA 0.102 4.561 4.470 -0.019 0.000 0.244 118 S C 0.537 175.215 174.600 0.130 0.000 1.115 118 S CA -0.255 58.114 58.200 0.282 0.000 0.820 118 S CB -0.439 62.970 63.200 0.348 0.000 0.964 118 S HN 0.057 nan 8.310 nan 0.000 0.508 119 S N 4.348 120.056 115.700 0.014 0.000 2.466 119 S HA 0.356 4.815 4.470 -0.019 0.000 0.286 119 S C -2.662 171.807 174.600 -0.218 0.000 1.221 119 S CA -0.550 57.555 58.200 -0.159 0.000 1.091 119 S CB 0.778 63.947 63.200 -0.051 0.000 0.956 119 S HN 0.389 nan 8.310 nan 0.000 0.501 120 P HA 0.294 nan 4.420 nan 0.000 0.275 120 P C 0.235 177.336 177.300 -0.331 0.000 1.227 120 P CA -0.191 62.714 63.100 -0.324 0.000 0.781 120 P CB 0.616 32.070 31.700 -0.410 0.000 0.906 121 G N 0.972 109.562 108.800 -0.351 0.000 2.434 121 G HA2 0.586 4.534 3.960 -0.019 0.000 0.330 121 G HA3 0.586 4.534 3.960 -0.019 0.000 0.330 121 G C -1.361 172.901 174.900 -1.063 0.000 1.155 121 G CA -0.560 44.216 45.100 -0.539 0.000 0.917 121 G HN 0.364 nan 8.290 nan 0.000 0.493 122 V N 2.295 121.824 119.914 -0.643 0.000 2.623 122 V HA 0.353 4.461 4.120 -0.019 0.000 0.304 122 V C -0.793 175.265 176.094 -0.061 0.000 1.054 122 V CA -0.850 61.191 62.300 -0.431 0.000 0.882 122 V CB 1.783 33.501 31.823 -0.174 0.000 1.002 122 V HN 0.675 nan 8.190 nan 0.000 0.424 123 I N 6.010 126.668 120.570 0.147 0.000 2.339 123 I HA 0.529 4.687 4.170 -0.019 0.000 0.290 123 I C -0.452 175.759 176.117 0.157 0.000 0.994 123 I CA -0.185 61.276 61.300 0.268 0.000 1.191 123 I CB 1.303 39.540 38.000 0.394 0.000 1.343 123 I HN 0.540 nan 8.210 nan 0.000 0.458 124 L N 8.172 129.479 121.223 0.140 0.000 2.376 124 L HA 0.541 4.870 4.340 -0.019 0.000 0.267 124 L C -2.178 174.750 176.870 0.096 0.000 1.035 124 L CA -2.007 52.909 54.840 0.126 0.000 0.800 124 L CB 0.688 42.849 42.059 0.169 0.000 1.290 124 L HN 0.406 nan 8.230 nan 0.000 0.462 125 P HA 0.008 nan 4.420 nan 0.000 0.268 125 P C -0.992 176.299 177.300 -0.016 0.000 1.204 125 P CA -0.121 63.002 63.100 0.038 0.000 0.768 125 P CB 0.411 32.134 31.700 0.039 0.000 0.842 126 K N 3.561 123.937 120.400 -0.039 0.000 2.401 126 K HA 0.023 4.332 4.320 -0.019 0.000 0.278 126 K C 0.267 176.736 176.600 -0.218 0.000 1.018 126 K CA -0.245 55.975 56.287 -0.112 0.000 0.981 126 K CB 0.345 32.807 32.500 -0.063 0.000 0.933 126 K HN 0.369 nan 8.250 nan 0.000 0.477 127 Q N 1.928 121.489 119.800 -0.399 0.000 2.316 127 Q HA 0.026 4.355 4.340 -0.019 0.000 0.215 127 Q C 0.291 176.009 176.000 -0.469 0.000 1.020 127 Q CA -0.072 55.438 55.803 -0.488 0.000 0.970 127 Q CB 0.953 29.239 28.738 -0.752 0.000 1.187 127 Q HN 0.812 nan 8.270 nan 0.000 0.546 128 D N -1.250 118.961 120.400 -0.315 0.000 2.349 128 D HA 0.007 4.635 4.640 -0.019 0.000 0.214 128 D C 0.361 176.555 176.300 -0.176 0.000 1.063 128 D CA -0.178 53.688 54.000 -0.223 0.000 0.847 128 D CB -0.466 40.272 40.800 -0.103 0.000 0.933 128 D HN 0.336 nan 8.370 nan 0.000 0.513 129 F N 0.905 120.806 119.950 -0.083 0.000 2.563 129 F HA 0.301 4.818 4.527 -0.017 0.000 0.363 129 F C 1.049 176.826 175.800 -0.039 0.000 1.123 129 F CA -1.142 56.828 58.000 -0.049 0.000 1.307 129 F CB 0.658 39.642 39.000 -0.028 0.000 1.115 129 F HN -0.141 nan 8.300 nan 0.000 0.592 130 V N -1.501 118.538 119.914 0.208 0.000 3.398 130 V HA 0.358 4.466 4.120 -0.019 0.000 0.298 130 V C -0.901 175.277 176.094 0.140 0.000 1.496 130 V CA 0.273 62.643 62.300 0.118 0.000 1.044 130 V CB -0.940 30.901 31.823 0.029 0.000 0.880 130 V HN 0.905 nan 8.190 nan 0.000 0.443 131 D N -1.460 119.039 120.400 0.166 0.000 2.559 131 D HA 0.329 4.958 4.640 -0.019 0.000 0.250 131 D C 0.920 177.206 176.300 -0.024 0.000 1.135 131 D CA -0.713 53.323 54.000 0.060 0.000 0.955 131 D CB 1.259 42.068 40.800 0.016 0.000 1.442 131 D HN -0.109 nan 8.370 nan 0.000 0.471 132 L N 0.130 121.272 121.223 -0.136 0.000 2.042 132 L HA -0.213 4.116 4.340 -0.019 0.000 0.210 132 L C 2.008 178.682 176.870 -0.327 0.000 1.076 132 L CA 2.224 56.847 54.840 -0.361 0.000 0.749 132 L CB -0.619 41.127 42.059 -0.521 0.000 0.893 132 L HN 0.831 nan 8.230 nan 0.000 0.432 133 Q N -0.637 119.065 119.800 -0.162 0.000 2.135 133 Q HA -0.166 4.163 4.340 -0.019 0.000 0.204 133 Q C 1.979 177.945 176.000 -0.058 0.000 0.981 133 Q CA 1.966 57.755 55.803 -0.023 0.000 0.856 133 Q CB -0.264 28.474 28.738 0.001 0.000 0.902 133 Q HN 0.586 nan 8.270 nan 0.000 0.425 134 G N 0.374 109.113 108.800 -0.102 0.000 2.403 134 G HA2 -0.293 3.655 3.960 -0.019 0.000 0.216 134 G HA3 -0.293 3.655 3.960 -0.019 0.000 0.216 134 G C 1.243 175.838 174.900 -0.509 0.000 1.154 134 G CA 0.668 45.709 45.100 -0.098 0.000 0.784 134 G HN 0.471 nan 8.290 nan 0.000 0.538 135 Q N -0.207 119.050 119.800 -0.904 0.000 2.084 135 Q HA -0.007 4.321 4.340 -0.019 0.000 0.202 135 Q C 2.511 178.176 176.000 -0.558 0.000 0.978 135 Q CA 0.966 55.902 55.803 -1.445 0.000 0.844 135 Q CB -0.202 28.051 28.738 -0.808 0.000 0.898 135 Q HN 0.485 nan 8.270 nan 0.000 0.426 136 L N -0.130 120.912 121.223 -0.302 0.000 2.093 136 L HA -0.130 4.199 4.340 -0.019 0.000 0.208 136 L C 2.663 179.604 176.870 0.119 0.000 1.085 136 L CA 0.842 55.636 54.840 -0.077 0.000 0.755 136 L CB -0.331 41.665 42.059 -0.105 0.000 0.904 136 L HN 0.152 nan 8.230 nan 0.000 0.435 137 R N 0.090 120.651 120.500 0.102 0.000 2.083 137 R HA -0.218 4.110 4.340 -0.019 0.000 0.237 137 R C 2.165 178.497 176.300 0.053 0.000 1.137 137 R CA 1.815 57.925 56.100 0.016 0.000 0.951 137 R CB -0.736 29.486 30.300 -0.130 0.000 0.851 137 R HN 0.234 nan 8.270 nan 0.000 0.434 138 F N 0.492 120.394 119.950 -0.080 0.000 2.134 138 F HA -0.075 4.442 4.527 -0.017 0.000 0.299 138 F C 1.950 177.757 175.800 0.013 0.000 1.097 138 F CA 1.405 59.410 58.000 0.008 0.000 1.264 138 F CB -0.673 38.390 39.000 0.106 0.000 1.001 138 F HN 0.078 nan 8.300 nan 0.000 0.479 139 A N 0.560 123.304 122.820 -0.127 0.000 1.940 139 A HA -0.077 4.232 4.320 -0.019 0.000 0.219 139 A C 2.440 179.918 177.584 -0.176 0.000 1.176 139 A CA 1.896 53.823 52.037 -0.184 0.000 0.631 139 A CB -1.583 17.399 19.000 -0.029 0.000 0.814 139 A HN 0.531 nan 8.150 nan 0.000 0.446 140 A N -0.489 122.286 122.820 -0.075 0.000 1.898 140 A HA -0.127 4.182 4.320 -0.019 0.000 0.216 140 A C 2.139 179.676 177.584 -0.079 0.000 1.181 140 A CA 1.651 53.669 52.037 -0.033 0.000 0.620 140 A CB -0.347 18.705 19.000 0.086 0.000 0.819 140 A HN 0.417 nan 8.150 nan 0.000 0.442 141 K N -0.614 119.726 120.400 -0.100 0.000 2.097 141 K HA -0.036 4.272 4.320 -0.019 0.000 0.205 141 K C 1.992 178.494 176.600 -0.163 0.000 1.050 141 K CA 1.125 57.382 56.287 -0.052 0.000 0.938 141 K CB -0.453 32.053 32.500 0.010 0.000 0.718 141 K HN 0.559 nan 8.250 nan 0.000 0.442 142 L N 1.183 122.163 121.223 -0.405 0.000 2.017 142 L HA -0.171 4.158 4.340 -0.019 0.000 0.208 142 L C 2.234 178.849 176.870 -0.425 0.000 1.073 142 L CA 1.185 55.719 54.840 -0.509 0.000 0.745 142 L CB -0.178 41.434 42.059 -0.744 0.000 0.894 142 L HN 0.074 nan 8.230 nan 0.000 0.432 143 I N -0.040 120.366 120.570 -0.274 0.000 2.163 143 I HA -0.348 3.810 4.170 -0.019 0.000 0.243 143 I C 2.557 178.575 176.117 -0.164 0.000 1.085 143 I CA 1.825 63.067 61.300 -0.095 0.000 1.347 143 I CB -0.374 37.621 38.000 -0.008 0.000 1.044 143 I HN 0.418 nan 8.210 nan 0.000 0.408 144 E N 0.941 121.019 120.200 -0.202 0.000 2.118 144 E HA -0.207 4.132 4.350 -0.019 0.000 0.195 144 E C 2.265 178.515 176.600 -0.584 0.000 0.992 144 E CA 1.357 57.591 56.400 -0.276 0.000 0.804 144 E CB -0.218 29.415 29.700 -0.113 0.000 0.741 144 E HN 0.530 nan 8.360 nan 0.000 0.458 145 G N 0.256 108.662 108.800 -0.656 0.000 2.408 145 G HA2 -0.205 3.744 3.960 -0.019 0.000 0.217 145 G HA3 -0.205 3.744 3.960 -0.019 0.000 0.217 145 G C 1.620 176.293 174.900 -0.379 0.000 1.150 145 G CA 0.833 45.486 45.100 -0.744 0.000 0.776 145 G HN 0.227 nan 8.290 nan 0.000 0.542 146 V N 1.053 120.731 119.914 -0.393 0.000 2.427 146 V HA -0.104 4.004 4.120 -0.019 0.000 0.248 146 V C 2.883 178.895 176.094 -0.137 0.000 1.051 146 V CA 1.259 63.346 62.300 -0.356 0.000 1.048 146 V CB -0.416 30.965 31.823 -0.737 0.000 0.666 146 V HN 0.342 nan 8.190 nan 0.000 0.456 147 L N 0.033 121.181 121.223 -0.125 0.000 2.046 147 L HA -0.211 4.118 4.340 -0.019 0.000 0.208 147 L C 2.366 179.205 176.870 -0.053 0.000 1.077 147 L CA 2.121 56.931 54.840 -0.049 0.000 0.747 147 L CB -0.733 41.238 42.059 -0.147 0.000 0.896 147 L HN 0.390 nan 8.230 nan 0.000 0.432 148 D N -0.017 120.293 120.400 -0.149 0.000 2.123 148 D HA -0.276 4.353 4.640 -0.019 0.000 0.196 148 D C 2.015 178.249 176.300 -0.110 0.000 0.992 148 D CA 1.232 55.185 54.000 -0.079 0.000 0.833 148 D CB -0.055 40.699 40.800 -0.077 0.000 0.954 148 D HN 0.220 nan 8.370 nan 0.000 0.455 149 F N 0.999 120.717 119.950 -0.388 0.000 2.186 149 F HA -0.027 4.489 4.527 -0.019 0.000 0.299 149 F C 2.121 177.736 175.800 -0.308 0.000 1.090 149 F CA 1.226 58.878 58.000 -0.579 0.000 1.307 149 F CB -0.089 38.544 39.000 -0.611 0.000 1.019 149 F HN -0.165 nan 8.300 nan 0.000 0.489 150 K N 0.274 120.666 120.400 -0.014 0.000 2.097 150 K HA -0.174 4.135 4.320 -0.019 0.000 0.205 150 K C 2.300 178.840 176.600 -0.100 0.000 1.050 150 K CA 1.510 57.785 56.287 -0.019 0.000 0.938 150 K CB -0.327 32.239 32.500 0.109 0.000 0.718 150 K HN 0.398 nan 8.250 nan 0.000 0.442 151 S N 0.605 116.261 115.700 -0.074 0.000 2.400 151 S HA -0.201 4.257 4.470 -0.019 0.000 0.232 151 S C 1.980 176.499 174.600 -0.136 0.000 1.025 151 S CA 1.435 59.599 58.200 -0.059 0.000 0.993 151 S CB -0.344 62.846 63.200 -0.017 0.000 0.808 151 S HN 0.339 nan 8.310 nan 0.000 0.478 152 M N 0.533 119.974 119.600 -0.264 0.000 2.254 152 M HA 0.136 4.605 4.480 -0.019 0.000 0.265 152 M C 2.147 178.251 176.300 -0.326 0.000 1.066 152 M CA 1.177 56.286 55.300 -0.319 0.000 1.123 152 M CB -0.498 31.805 32.600 -0.495 0.000 1.388 152 M HN 0.329 nan 8.290 nan 0.000 0.425 153 I N 0.239 120.565 120.570 -0.406 0.000 2.202 153 I HA -0.278 3.880 4.170 -0.019 0.000 0.242 153 I C 1.797 177.813 176.117 -0.168 0.000 1.091 153 I CA 1.113 62.150 61.300 -0.438 0.000 1.368 153 I CB -0.503 37.200 38.000 -0.495 0.000 1.058 153 I HN 0.251 nan 8.210 nan 0.000 0.410 154 D N 0.854 121.196 120.400 -0.098 0.000 2.178 154 D HA -0.120 4.508 4.640 -0.019 0.000 0.202 154 D C 1.493 177.802 176.300 0.015 0.000 0.974 154 D CA 1.052 55.049 54.000 -0.005 0.000 0.841 154 D CB -0.346 40.441 40.800 -0.023 0.000 0.953 154 D HN 0.332 nan 8.370 nan 0.000 0.478 155 N N 0.846 119.534 118.700 -0.021 0.000 2.336 155 N HA -0.030 4.699 4.740 -0.019 0.000 0.189 155 N C -0.232 175.283 175.510 0.008 0.000 1.113 155 N CA 0.090 53.135 53.050 -0.009 0.000 0.858 155 N CB 0.337 38.807 38.487 -0.029 0.000 0.970 155 N HN 0.266 nan 8.380 nan 0.000 0.471 156 E N -0.648 119.573 120.200 0.036 0.000 2.360 156 E HA -0.186 4.153 4.350 -0.019 0.000 0.238 156 E C -0.237 176.369 176.600 0.009 0.000 1.186 156 E CA 0.903 57.353 56.400 0.083 0.000 0.719 156 E CB -1.685 28.081 29.700 0.111 0.000 1.236 156 E HN 0.491 nan 8.360 nan 0.000 0.386 157 T N -2.763 111.754 114.554 -0.062 0.000 3.085 157 T HA 0.271 4.609 4.350 -0.019 0.000 0.264 157 T C 0.408 175.022 174.700 -0.144 0.000 1.019 157 T CA -0.623 61.428 62.100 -0.081 0.000 0.910 157 T CB 0.279 69.104 68.868 -0.072 0.000 1.059 157 T HN 0.073 nan 8.240 nan 0.000 0.542 158 L N 3.814 124.910 121.223 -0.212 0.000 2.584 158 L HA 0.316 4.645 4.340 -0.019 0.000 0.272 158 L C -2.169 174.561 176.870 -0.234 0.000 1.195 158 L CA -1.809 52.834 54.840 -0.327 0.000 0.920 158 L CB -0.137 41.625 42.059 -0.495 0.000 1.173 158 L HN 0.027 nan 8.230 nan 0.000 0.489 159 P HA -0.024 nan 4.420 nan 0.000 0.264 159 P C -0.847 176.359 177.300 -0.156 0.000 1.179 159 P CA -0.193 62.834 63.100 -0.121 0.000 0.763 159 P CB 0.297 31.961 31.700 -0.060 0.000 0.806 160 V N 3.517 123.333 119.914 -0.163 0.000 2.572 160 V HA 0.025 4.133 4.120 -0.019 0.000 0.291 160 V C 0.822 176.743 176.094 -0.288 0.000 1.039 160 V CA 0.429 62.541 62.300 -0.312 0.000 1.055 160 V CB 0.032 31.631 31.823 -0.373 0.000 0.969 160 V HN 0.533 nan 8.190 nan 0.000 0.482 161 E N 3.211 123.210 120.200 -0.335 0.000 2.222 161 E HA 0.651 4.989 4.350 -0.019 0.000 0.272 161 E C -1.402 174.917 176.600 -0.468 0.000 0.982 161 E CA -0.419 55.867 56.400 -0.191 0.000 0.842 161 E CB 1.794 31.499 29.700 0.008 0.000 1.144 161 E HN 0.516 nan 8.360 nan 0.000 0.397 162 F N 1.137 121.118 119.950 0.052 0.000 2.588 162 F HA 0.279 4.794 4.527 -0.019 0.000 0.314 162 F C 0.310 176.129 175.800 0.032 0.000 1.069 162 F CA -0.813 57.211 58.000 0.039 0.000 0.931 162 F CB 1.153 40.169 39.000 0.026 0.000 1.260 162 F HN 0.303 nan 8.300 nan 0.000 0.465 163 L N 0.738 122.078 121.223 0.194 0.000 2.519 163 L HA 0.460 4.789 4.340 -0.019 0.000 0.194 163 L C 1.039 177.970 176.870 0.101 0.000 1.072 163 L CA 1.118 56.025 54.840 0.112 0.000 0.845 163 L CB 0.330 42.422 42.059 0.056 0.000 1.138 163 L HN 0.789 nan 8.230 nan 0.000 0.487 164 G N -1.716 107.142 108.800 0.097 0.000 4.904 164 G HA2 0.429 4.378 3.960 -0.019 0.000 0.265 164 G HA3 0.429 4.378 3.960 -0.019 0.000 0.265 164 G C 0.797 175.736 174.900 0.066 0.000 1.227 164 G CA 0.332 45.472 45.100 0.066 0.000 0.926 164 G HN 0.536 nan 8.290 nan 0.000 0.581 165 G N -0.168 108.684 108.800 0.088 0.000 2.179 165 G HA2 -0.248 3.701 3.960 -0.019 0.000 0.260 165 G HA3 -0.248 3.701 3.960 -0.019 0.000 0.260 165 G C 0.235 175.234 174.900 0.164 0.000 0.977 165 G CA 0.129 45.249 45.100 0.034 0.000 0.641 165 G HN 0.590 nan 8.290 nan 0.000 0.533 166 Q N 0.713 120.661 119.800 0.248 0.000 2.309 166 Q HA 0.478 4.807 4.340 -0.019 0.000 0.264 166 Q C -2.410 173.758 176.000 0.281 0.000 1.008 166 Q CA -2.044 53.898 55.803 0.232 0.000 0.853 166 Q CB 2.485 31.245 28.738 0.036 0.000 1.314 166 Q HN 0.320 nan 8.270 nan 0.000 0.448 167 P HA 0.152 nan 4.420 nan 0.000 0.271 167 P C -0.614 176.613 177.300 -0.123 0.000 1.218 167 P CA 0.022 62.980 63.100 -0.235 0.000 0.780 167 P CB 0.860 32.545 31.700 -0.024 0.000 0.901 168 L N 1.583 122.735 121.223 -0.119 0.000 2.342 168 L HA 0.404 4.733 4.340 -0.019 0.000 0.271 168 L C 0.885 177.853 176.870 0.163 0.000 1.008 168 L CA -1.163 53.677 54.840 0.000 0.000 0.818 168 L CB 1.870 43.931 42.059 0.003 0.000 1.296 168 L HN 0.455 nan 8.230 nan 0.000 0.427 169 C N 3.587 122.953 119.300 0.110 0.000 2.611 169 C HA 0.101 4.549 4.460 -0.019 0.000 0.416 169 C C 1.347 176.507 174.990 0.283 0.000 1.366 169 C CA -0.164 58.953 59.018 0.165 0.000 1.761 169 C CB -0.071 27.733 27.740 0.106 0.000 2.619 169 C HN 0.775 nan 8.230 nan 0.000 0.606 170 M N 4.936 124.800 119.600 0.439 0.000 2.346 170 M HA 0.097 4.565 4.480 -0.019 0.000 0.280 170 M C 1.491 178.164 176.300 0.621 0.000 1.075 170 M CA 0.221 55.879 55.300 0.597 0.000 0.989 170 M CB -1.636 31.348 32.600 0.639 0.000 1.447 170 M HN 0.898 nan 8.290 nan 0.000 0.511 171 N N 1.620 120.599 118.700 0.465 0.000 2.094 171 N HA -0.208 4.520 4.740 -0.019 0.000 0.191 171 N C 1.564 177.242 175.510 0.280 0.000 1.023 171 N CA 1.860 55.143 53.050 0.387 0.000 0.857 171 N CB 0.094 38.709 38.487 0.215 0.000 1.013 171 N HN 0.437 nan 8.380 nan 0.000 0.426 172 Q N -1.397 118.468 119.800 0.108 0.000 2.181 172 Q HA -0.195 4.133 4.340 -0.019 0.000 0.205 172 Q C 1.362 177.309 176.000 -0.088 0.000 0.980 172 Q CA 1.433 57.209 55.803 -0.047 0.000 0.862 172 Q CB -0.239 28.381 28.738 -0.196 0.000 0.905 172 Q HN 0.611 nan 8.270 nan 0.000 0.429 173 Y N -1.448 118.907 120.300 0.092 0.000 2.403 173 Y HA -0.183 4.355 4.550 -0.019 0.000 0.291 173 Y C 0.795 176.561 175.900 -0.224 0.000 1.143 173 Y CA 0.791 58.855 58.100 -0.060 0.000 1.257 173 Y CB -0.007 38.369 38.460 -0.139 0.000 0.984 173 Y HN 0.165 nan 8.280 nan 0.000 0.550 174 Y N -0.385 119.971 120.300 0.093 0.000 2.718 174 Y HA 0.134 4.673 4.550 -0.019 0.000 0.322 174 Y C 1.106 177.033 175.900 0.046 0.000 1.122 174 Y CA -0.329 57.795 58.100 0.041 0.000 1.348 174 Y CB 0.031 38.475 38.460 -0.026 0.000 1.174 174 Y HN 0.121 nan 8.280 nan 0.000 0.523 175 Q N -0.834 119.039 119.800 0.121 0.000 2.123 175 Q HA 0.189 4.518 4.340 -0.019 0.000 0.244 175 Q C 1.890 177.928 176.000 0.065 0.000 0.769 175 Q CA 0.381 56.238 55.803 0.089 0.000 0.938 175 Q CB 0.389 29.169 28.738 0.071 0.000 1.170 175 Q HN 0.685 nan 8.270 nan 0.000 0.469 176 I N -2.297 118.297 120.570 0.039 0.000 2.406 176 I HA 0.076 4.235 4.170 -0.019 0.000 0.249 176 I C 0.740 176.909 176.117 0.087 0.000 1.122 176 I CA 0.493 61.811 61.300 0.030 0.000 1.431 176 I CB -0.022 37.954 38.000 -0.040 0.000 1.087 176 I HN -0.133 nan 8.210 nan 0.000 0.424 177 L N 1.502 122.790 121.223 0.109 0.000 2.379 177 L HA 0.322 4.650 4.340 -0.019 0.000 0.269 177 L C 0.790 177.762 176.870 0.171 0.000 1.084 177 L CA -0.648 54.291 54.840 0.163 0.000 0.802 177 L CB 1.320 43.476 42.059 0.162 0.000 1.175 177 L HN 0.205 nan 8.230 nan 0.000 0.448 178 S N 0.344 116.158 115.700 0.189 0.000 3.549 178 S HA -0.167 4.292 4.470 -0.019 0.000 0.366 178 S C 0.006 174.785 174.600 0.298 0.000 1.012 178 S CA 0.878 59.201 58.200 0.206 0.000 1.141 178 S CB -1.515 61.805 63.200 0.200 0.000 0.910 178 S HN 0.868 nan 8.310 nan 0.000 0.471 179 S N -1.614 114.231 115.700 0.243 0.000 2.661 179 S HA 0.898 5.356 4.470 -0.019 0.000 0.285 179 S C -0.480 174.259 174.600 0.232 0.000 1.138 179 S CA -0.477 57.857 58.200 0.223 0.000 0.855 179 S CB 2.640 65.921 63.200 0.135 0.000 1.136 179 S HN 0.832 nan 8.310 nan 0.000 0.484 180 C N 0.512 119.940 119.300 0.212 0.000 3.283 180 C HA 0.656 5.105 4.460 -0.019 0.000 0.359 180 C C -0.711 174.385 174.990 0.176 0.000 1.160 180 C CA -0.508 58.646 59.018 0.227 0.000 1.232 180 C CB 1.581 29.494 27.740 0.288 0.000 1.571 180 C HN 1.189 nan 8.230 nan 0.000 0.522 181 R N 2.494 123.100 120.500 0.176 0.000 2.459 181 R HA 0.763 5.091 4.340 -0.019 0.000 0.281 181 R C -1.298 175.058 176.300 0.093 0.000 1.050 181 R CA -0.170 56.001 56.100 0.118 0.000 1.055 181 R CB 0.960 31.329 30.300 0.116 0.000 1.045 181 R HN 0.596 nan 8.270 nan 0.000 0.495 182 V N 6.162 126.077 119.914 0.001 0.000 2.487 182 V HA 0.356 4.465 4.120 -0.019 0.000 0.298 182 V C -2.283 173.662 176.094 -0.248 0.000 1.028 182 V CA -2.284 59.930 62.300 -0.144 0.000 0.860 182 V CB 1.751 33.532 31.823 -0.070 0.000 0.991 182 V HN 0.848 nan 8.190 nan 0.000 0.427 183 P HA 0.298 nan 4.420 nan 0.000 0.267 183 P C 0.060 177.172 177.300 -0.312 0.000 1.205 183 P CA 0.394 63.197 63.100 -0.494 0.000 0.765 183 P CB 0.711 31.785 31.700 -1.043 0.000 0.828 184 G N 3.871 112.576 108.800 -0.159 0.000 2.482 184 G HA2 0.441 4.389 3.960 -0.019 0.000 0.317 184 G HA3 0.441 4.389 3.960 -0.019 0.000 0.317 184 G C -1.981 172.888 174.900 -0.051 0.000 1.241 184 G CA -1.595 43.458 45.100 -0.079 0.000 0.967 184 G HN 0.183 nan 8.290 nan 0.000 0.482 185 P HA -0.108 nan 4.420 nan 0.000 0.220 185 P C 1.038 178.337 177.300 -0.000 0.000 1.148 185 P CA 1.161 64.256 63.100 -0.009 0.000 0.803 185 P CB 0.609 32.309 31.700 -0.001 0.000 0.782 186 K N -0.556 119.844 120.400 -0.001 0.000 2.273 186 K HA 0.053 4.361 4.320 -0.019 0.000 0.206 186 K C 0.986 177.588 176.600 0.004 0.000 1.072 186 K CA 0.306 56.596 56.287 0.005 0.000 0.953 186 K CB 0.513 33.018 32.500 0.008 0.000 1.043 186 K HN 0.167 nan 8.250 nan 0.000 0.477 187 Q N 0.330 120.130 119.800 0.000 0.000 2.418 187 Q HA 0.321 4.650 4.340 -0.019 0.000 0.282 187 Q C -1.632 174.364 176.000 -0.007 0.000 1.044 187 Q CA -1.121 54.684 55.803 0.002 0.000 0.813 187 Q CB 1.705 30.451 28.738 0.014 0.000 1.428 187 Q HN -0.137 nan 8.270 nan 0.000 0.402 188 D N 1.119 121.517 120.400 -0.003 0.000 2.411 188 D HA 0.535 5.163 4.640 -0.019 0.000 0.251 188 D C -0.307 175.995 176.300 0.002 0.000 1.201 188 D CA 0.061 54.052 54.000 -0.014 0.000 0.996 188 D CB 1.296 42.095 40.800 -0.002 0.000 1.101 188 D HN 0.663 nan 8.370 nan 0.000 0.504 189 S N -1.518 114.180 115.700 -0.004 0.000 2.685 189 S HA 0.769 5.228 4.470 -0.019 0.000 0.282 189 S C -1.107 173.503 174.600 0.016 0.000 1.159 189 S CA -0.832 57.373 58.200 0.008 0.000 0.833 189 S CB 1.330 64.531 63.200 0.002 0.000 1.151 189 S HN 0.146 nan 8.310 nan 0.000 0.485 190 V N 1.240 121.163 119.914 0.015 0.000 2.709 190 V HA 0.702 4.810 4.120 -0.019 0.000 0.308 190 V C -0.524 175.558 176.094 -0.020 0.000 1.062 190 V CA -0.691 61.621 62.300 0.021 0.000 0.901 190 V CB 1.775 33.616 31.823 0.030 0.000 1.003 190 V HN 1.074 nan 8.190 nan 0.000 0.425 191 V N 1.507 121.404 119.914 -0.028 0.000 2.513 191 V HA 0.667 4.775 4.120 -0.019 0.000 0.299 191 V C -0.434 175.499 176.094 -0.269 0.000 1.035 191 V CA -0.596 61.583 62.300 -0.203 0.000 0.889 191 V CB 1.535 33.251 31.823 -0.178 0.000 0.988 191 V HN 0.941 nan 8.190 nan 0.000 0.440 192 N N 2.316 120.748 118.700 -0.446 0.000 2.504 192 N HA 0.551 5.279 4.740 -0.019 0.000 0.280 192 N C -0.716 174.566 175.510 -0.379 0.000 1.052 192 N CA -0.643 52.258 53.050 -0.249 0.000 0.887 192 N CB 1.334 39.774 38.487 -0.078 0.000 1.323 192 N HN 0.670 nan 8.380 nan 0.000 0.509 193 F N 2.700 122.688 119.950 0.063 0.000 2.664 193 F HA 0.205 4.720 4.527 -0.019 0.000 0.303 193 F C 1.578 177.410 175.800 0.054 0.000 1.092 193 F CA -0.458 57.575 58.000 0.055 0.000 1.305 193 F CB 0.185 39.216 39.000 0.052 0.000 1.054 193 F HN 0.455 nan 8.300 nan 0.000 0.565 194 L N 1.057 122.394 121.223 0.191 0.000 2.013 194 L HA -0.187 4.142 4.340 -0.019 0.000 0.212 194 L C 1.460 178.403 176.870 0.123 0.000 1.073 194 L CA 2.086 57.017 54.840 0.150 0.000 0.753 194 L CB -0.402 41.743 42.059 0.143 0.000 0.890 194 L HN 0.019 nan 8.230 nan 0.000 0.432 195 K N -0.426 120.038 120.400 0.107 0.000 2.675 195 K HA 0.185 4.493 4.320 -0.019 0.000 0.213 195 K C 0.511 177.155 176.600 0.073 0.000 1.074 195 K CA 0.154 56.490 56.287 0.083 0.000 1.172 195 K CB 0.056 32.599 32.500 0.072 0.000 0.927 195 K HN 0.444 nan 8.250 nan 0.000 0.471 196 S N -0.146 115.617 115.700 0.104 0.000 2.617 196 S HA 0.143 4.602 4.470 -0.019 0.000 0.259 196 S C 1.171 175.819 174.600 0.080 0.000 1.301 196 S CA -0.537 57.729 58.200 0.110 0.000 0.984 196 S CB 1.275 64.597 63.200 0.203 0.000 0.954 196 S HN 0.136 nan 8.310 nan 0.000 0.572 197 K N 0.854 121.297 120.400 0.071 0.000 2.009 197 K HA -0.143 4.165 4.320 -0.019 0.000 0.210 197 K C 0.843 177.468 176.600 0.042 0.000 1.049 197 K CA 1.533 57.849 56.287 0.048 0.000 0.929 197 K CB -0.270 32.256 32.500 0.044 0.000 0.714 197 K HN 0.755 nan 8.250 nan 0.000 0.440 198 R N 1.296 121.827 120.500 0.052 0.000 2.505 198 R HA 0.330 4.658 4.340 -0.019 0.000 0.284 198 R C -2.950 173.380 176.300 0.049 0.000 1.324 198 R CA -1.839 54.282 56.100 0.036 0.000 1.432 198 R CB 0.429 30.745 30.300 0.026 0.000 1.107 198 R HN -0.164 nan 8.270 nan 0.000 0.587 199 P HA 0.010 nan 4.420 nan 0.000 0.263 199 P C -2.307 175.016 177.300 0.038 0.000 1.175 199 P CA -0.523 62.609 63.100 0.054 0.000 0.761 199 P CB 0.143 31.852 31.700 0.015 0.000 0.794 200 P HA 0.015 nan 4.420 nan 0.000 0.266 200 P C 0.547 177.890 177.300 0.073 0.000 1.195 200 P CA 0.348 63.488 63.100 0.067 0.000 0.768 200 P CB 0.259 31.945 31.700 -0.023 0.000 0.838 201 T N -1.952 112.696 114.554 0.156 0.000 3.091 201 T HA 0.189 4.527 4.350 -0.019 0.000 0.277 201 T C 0.250 175.107 174.700 0.263 0.000 0.996 201 T CA -0.287 61.960 62.100 0.246 0.000 0.897 201 T CB -0.838 68.144 68.868 0.189 0.000 1.109 201 T HN 0.607 nan 8.240 nan 0.000 0.534 202 H N 0.276 119.361 119.070 0.025 0.000 2.771 202 H HA 0.823 5.367 4.556 -0.019 0.000 0.367 202 H C -0.348 174.899 175.328 -0.135 0.000 1.172 202 H CA -1.513 54.501 56.048 -0.057 0.000 1.186 202 H CB 1.446 31.169 29.762 -0.066 0.000 1.790 202 H HN 0.325 nan 8.280 nan 0.000 0.556 203 I N -1.295 119.092 120.570 -0.306 0.000 3.170 203 I HA 0.675 4.834 4.170 -0.019 0.000 0.312 203 I C -0.798 175.212 176.117 -0.179 0.000 1.085 203 I CA -1.224 59.789 61.300 -0.479 0.000 0.999 203 I CB 2.601 40.128 38.000 -0.788 0.000 1.233 203 I HN 0.790 nan 8.210 nan 0.000 0.467 204 T N 0.353 114.830 114.554 -0.128 0.000 2.855 204 T HA 0.757 5.096 4.350 -0.019 0.000 0.281 204 T C -0.520 174.244 174.700 0.107 0.000 1.007 204 T CA -0.720 61.428 62.100 0.080 0.000 1.009 204 T CB 1.848 70.807 68.868 0.152 0.000 0.983 204 T HN 0.476 nan 8.240 nan 0.000 0.455 205 V N 2.357 122.381 119.914 0.183 0.000 2.588 205 V HA 0.563 4.671 4.120 -0.019 0.000 0.304 205 V C -0.497 175.704 176.094 0.180 0.000 1.042 205 V CA -0.862 61.526 62.300 0.146 0.000 0.877 205 V CB 1.898 33.761 31.823 0.067 0.000 0.996 205 V HN 0.914 nan 8.190 nan 0.000 0.425 206 V N 3.676 123.637 119.914 0.077 0.000 2.409 206 V HA 0.588 4.696 4.120 -0.019 0.000 0.291 206 V C -0.766 175.347 176.094 0.031 0.000 1.020 206 V CA -0.578 61.663 62.300 -0.098 0.000 0.848 206 V CB 1.413 33.041 31.823 -0.324 0.000 0.990 206 V HN 0.991 nan 8.190 nan 0.000 0.430 207 H N 4.437 123.450 119.070 -0.094 0.000 2.877 207 H HA 0.440 4.984 4.556 -0.020 0.000 0.347 207 H C 0.253 175.455 175.328 -0.210 0.000 1.042 207 H CA -0.611 55.328 56.048 -0.182 0.000 1.276 207 H CB 1.052 30.633 29.762 -0.302 0.000 1.681 207 H HN 0.615 nan 8.280 nan 0.000 0.521 208 N N 4.903 123.175 118.700 -0.713 0.000 2.727 208 N HA -0.257 4.471 4.740 -0.019 0.000 0.249 208 N C -0.364 174.854 175.510 -0.486 0.000 1.048 208 N CA 1.625 54.200 53.050 -0.791 0.000 0.714 208 N CB -1.454 36.508 38.487 -0.875 0.000 0.959 208 N HN 0.981 nan 8.380 nan 0.000 0.544 209 Y N -4.189 115.996 120.300 -0.192 0.000 4.897 209 Y HA -0.392 4.146 4.550 -0.019 0.000 0.263 209 Y C 0.618 176.424 175.900 -0.158 0.000 0.945 209 Y CA 0.683 58.696 58.100 -0.145 0.000 1.858 209 Y CB -1.413 37.021 38.460 -0.044 0.000 1.296 209 Y HN 0.325 nan 8.280 nan 0.000 0.490 210 Q N 0.974 120.770 119.800 -0.008 0.000 2.274 210 Q HA 0.462 4.790 4.340 -0.019 0.000 0.256 210 Q C -0.744 175.251 176.000 -0.008 0.000 0.927 210 Q CA -0.444 55.388 55.803 0.048 0.000 0.939 210 Q CB 0.682 29.477 28.738 0.095 0.000 1.201 210 Q HN 0.116 nan 8.270 nan 0.000 0.426 211 F N 2.196 122.192 119.950 0.077 0.000 2.385 211 F HA 0.477 4.993 4.527 -0.018 0.000 0.336 211 F C -0.290 175.411 175.800 -0.164 0.000 1.100 211 F CA -0.367 57.682 58.000 0.083 0.000 1.116 211 F CB 0.701 39.740 39.000 0.066 0.000 1.166 211 F HN 0.388 nan 8.300 nan 0.000 0.511 212 F N 0.545 120.602 119.950 0.179 0.000 2.565 212 F HA 0.309 4.825 4.527 -0.019 0.000 0.313 212 F C -0.187 175.653 175.800 0.068 0.000 1.091 212 F CA -1.178 56.870 58.000 0.080 0.000 0.915 212 F CB 1.852 40.876 39.000 0.040 0.000 1.208 212 F HN 0.371 nan 8.300 nan 0.000 0.453 213 E N 3.121 123.428 120.200 0.178 0.000 2.115 213 E HA 0.467 4.806 4.350 -0.019 0.000 0.282 213 E C -1.748 174.918 176.600 0.111 0.000 0.987 213 E CA -0.714 55.754 56.400 0.113 0.000 0.797 213 E CB 1.086 30.742 29.700 -0.072 0.000 1.086 213 E HN 0.555 nan 8.360 nan 0.000 0.397 214 L N 5.443 126.734 121.223 0.113 0.000 2.343 214 L HA 0.384 4.713 4.340 -0.019 0.000 0.278 214 L C -1.056 175.831 176.870 0.028 0.000 0.996 214 L CA -0.535 54.329 54.840 0.041 0.000 0.831 214 L CB 1.554 43.607 42.059 -0.009 0.000 1.232 214 L HN 0.462 nan 8.230 nan 0.000 0.413 215 D N 3.771 124.181 120.400 0.016 0.000 2.351 215 D HA 0.178 4.807 4.640 -0.019 0.000 0.251 215 D C 0.805 177.056 176.300 -0.082 0.000 1.137 215 D CA 0.278 54.288 54.000 0.018 0.000 0.879 215 D CB 2.045 42.855 40.800 0.017 0.000 1.181 215 D HN 0.507 nan 8.370 nan 0.000 0.448 216 V N 0.527 120.361 119.914 -0.134 0.000 3.319 216 V HA 0.314 4.422 4.120 -0.019 0.000 0.317 216 V C -0.628 175.137 176.094 -0.548 0.000 1.411 216 V CA -0.255 61.845 62.300 -0.334 0.000 1.112 216 V CB -0.848 30.737 31.823 -0.397 0.000 1.031 216 V HN 0.273 nan 8.190 nan 0.000 0.448 217 Y N -0.227 119.985 120.300 -0.146 0.000 2.442 217 Y HA 0.674 5.212 4.550 -0.019 0.000 0.344 217 Y C 0.618 176.421 175.900 -0.162 0.000 0.976 217 Y CA -1.071 56.952 58.100 -0.129 0.000 1.040 217 Y CB 1.354 39.791 38.460 -0.038 0.000 1.228 217 Y HN 0.128 nan 8.280 nan 0.000 0.451 218 H N 0.078 119.248 119.070 0.167 0.000 2.597 218 H HA 0.034 4.579 4.556 -0.019 0.000 0.370 218 H C 1.107 176.491 175.328 0.093 0.000 1.281 218 H CA 0.646 56.752 56.048 0.097 0.000 1.422 218 H CB 1.558 31.362 29.762 0.069 0.000 1.524 218 H HN 0.744 nan 8.280 nan 0.000 0.607 219 S N 0.253 116.074 115.700 0.201 0.000 2.400 219 S HA -0.181 4.278 4.470 -0.019 0.000 0.232 219 S C 1.211 175.868 174.600 0.096 0.000 1.025 219 S CA 1.686 59.954 58.200 0.113 0.000 0.993 219 S CB -0.299 62.950 63.200 0.082 0.000 0.808 219 S HN 0.713 nan 8.310 nan 0.000 0.478 220 D N -0.646 119.823 120.400 0.115 0.000 2.363 220 D HA 0.202 4.830 4.640 -0.019 0.000 0.226 220 D C 1.399 177.749 176.300 0.083 0.000 1.020 220 D CA 0.957 55.005 54.000 0.079 0.000 0.892 220 D CB -0.803 40.033 40.800 0.061 0.000 0.900 220 D HN 0.527 nan 8.370 nan 0.000 0.531 221 G N -0.061 108.806 108.800 0.111 0.000 2.241 221 G HA2 -0.283 3.665 3.960 -0.019 0.000 0.244 221 G HA3 -0.283 3.665 3.960 -0.019 0.000 0.244 221 G C 0.563 175.570 174.900 0.179 0.000 0.998 221 G CA 0.392 45.538 45.100 0.078 0.000 0.621 221 G HN 0.837 nan 8.290 nan 0.000 0.519 222 T N 1.448 116.134 114.554 0.220 0.000 2.901 222 T HA 0.552 4.890 4.350 -0.019 0.000 0.301 222 T C -1.746 173.156 174.700 0.338 0.000 1.012 222 T CA -0.682 61.571 62.100 0.255 0.000 1.135 222 T CB 2.007 70.998 68.868 0.205 0.000 0.936 222 T HN 0.332 nan 8.240 nan 0.000 0.539 223 P HA 0.208 nan 4.420 nan 0.000 0.271 223 P C -0.205 177.072 177.300 -0.038 0.000 1.218 223 P CA -0.712 62.381 63.100 -0.011 0.000 0.780 223 P CB 0.603 32.259 31.700 -0.074 0.000 0.901 224 L N 2.415 123.485 121.223 -0.256 0.000 2.473 224 L HA 0.156 4.485 4.340 -0.019 0.000 0.268 224 L C 1.571 178.418 176.870 -0.038 0.000 1.215 224 L CA 0.890 55.615 54.840 -0.191 0.000 0.823 224 L CB -0.197 41.691 42.059 -0.286 0.000 1.099 224 L HN 0.513 nan 8.230 nan 0.000 0.483 225 T N -1.953 112.633 114.554 0.054 0.000 2.874 225 T HA 0.259 4.598 4.350 -0.019 0.000 0.281 225 T C 1.302 176.024 174.700 0.037 0.000 0.994 225 T CA -0.138 61.996 62.100 0.057 0.000 1.015 225 T CB 0.984 69.899 68.868 0.079 0.000 1.028 225 T HN 0.674 nan 8.240 nan 0.000 0.523 226 S N 0.958 116.687 115.700 0.049 0.000 2.374 226 S HA -0.216 4.243 4.470 -0.019 0.000 0.227 226 S C 1.368 176.010 174.600 0.069 0.000 1.037 226 S CA 1.531 59.759 58.200 0.046 0.000 1.024 226 S CB -0.891 62.343 63.200 0.057 0.000 0.861 226 S HN 0.777 nan 8.310 nan 0.000 0.456 227 D N 1.722 122.159 120.400 0.060 0.000 2.123 227 D HA -0.099 4.529 4.640 -0.019 0.000 0.196 227 D C 2.331 178.713 176.300 0.138 0.000 0.992 227 D CA 1.493 55.543 54.000 0.084 0.000 0.833 227 D CB -0.511 40.316 40.800 0.045 0.000 0.954 227 D HN 0.633 nan 8.370 nan 0.000 0.455 228 Q N -0.135 119.721 119.800 0.093 0.000 2.119 228 Q HA -0.018 4.311 4.340 -0.019 0.000 0.201 228 Q C 2.449 178.472 176.000 0.038 0.000 0.972 228 Q CA 0.604 56.452 55.803 0.076 0.000 0.847 228 Q CB 0.056 28.845 28.738 0.085 0.000 0.903 228 Q HN 0.334 nan 8.270 nan 0.000 0.433 229 I N 0.009 120.594 120.570 0.025 0.000 2.226 229 I HA -0.258 3.901 4.170 -0.019 0.000 0.245 229 I C 2.097 178.219 176.117 0.009 0.000 1.100 229 I CA 0.930 62.221 61.300 -0.014 0.000 1.374 229 I CB -0.232 37.749 38.000 -0.030 0.000 1.057 229 I HN 0.181 nan 8.210 nan 0.000 0.413 230 F N 1.476 121.385 119.950 -0.068 0.000 2.095 230 F HA -0.225 4.290 4.527 -0.020 0.000 0.298 230 F C 2.359 178.114 175.800 -0.074 0.000 1.104 230 F CA 1.689 59.642 58.000 -0.078 0.000 1.232 230 F CB -0.525 38.434 39.000 -0.070 0.000 0.987 230 F HN -0.226 nan 8.300 nan 0.000 0.475 231 V N 0.740 120.606 119.914 -0.081 0.000 2.324 231 V HA -0.337 3.771 4.120 -0.019 0.000 0.250 231 V C 2.508 178.473 176.094 -0.215 0.000 1.060 231 V CA 2.153 64.354 62.300 -0.166 0.000 1.042 231 V CB -0.817 31.005 31.823 -0.002 0.000 0.650 231 V HN 0.404 nan 8.190 nan 0.000 0.450 232 Q N -0.490 119.221 119.800 -0.149 0.000 2.079 232 Q HA -0.085 4.244 4.340 -0.019 0.000 0.200 232 Q C 2.302 178.183 176.000 -0.199 0.000 0.974 232 Q CA 1.442 57.163 55.803 -0.138 0.000 0.840 232 Q CB -0.428 28.253 28.738 -0.096 0.000 0.898 232 Q HN 0.562 nan 8.270 nan 0.000 0.430 233 L N 0.652 121.730 121.223 -0.241 0.000 2.083 233 L HA -0.190 4.138 4.340 -0.019 0.000 0.209 233 L C 2.293 178.984 176.870 -0.298 0.000 1.083 233 L CA 1.151 55.839 54.840 -0.254 0.000 0.752 233 L CB -0.425 41.495 42.059 -0.231 0.000 0.899 233 L HN 0.271 nan 8.230 nan 0.000 0.433 234 E N 0.318 120.252 120.200 -0.444 0.000 2.077 234 E HA -0.234 4.105 4.350 -0.019 0.000 0.193 234 E C 2.191 178.678 176.600 -0.189 0.000 0.989 234 E CA 1.195 57.366 56.400 -0.382 0.000 0.800 234 E CB 0.011 29.415 29.700 -0.494 0.000 0.746 234 E HN 0.463 nan 8.360 nan 0.000 0.452 235 K N 0.574 120.863 120.400 -0.185 0.000 2.026 235 K HA -0.135 4.173 4.320 -0.019 0.000 0.208 235 K C 2.213 178.712 176.600 -0.168 0.000 1.048 235 K CA 1.155 57.368 56.287 -0.122 0.000 0.929 235 K CB -0.188 32.255 32.500 -0.096 0.000 0.713 235 K HN 0.100 nan 8.250 nan 0.000 0.439 236 I N 0.306 120.690 120.570 -0.310 0.000 2.127 236 I HA -0.322 3.837 4.170 -0.019 0.000 0.241 236 I C 2.421 178.228 176.117 -0.517 0.000 1.075 236 I CA 1.221 62.092 61.300 -0.715 0.000 1.334 236 I CB -0.371 37.155 38.000 -0.791 0.000 1.040 236 I HN 0.450 nan 8.210 nan 0.000 0.405 237 W N 2.502 123.527 121.300 -0.457 0.000 2.317 237 W HA -0.253 4.395 4.660 -0.019 0.000 0.318 237 W C 2.201 178.635 176.519 -0.142 0.000 1.227 237 W CA 1.759 58.877 57.345 -0.378 0.000 1.269 237 W CB -0.604 28.591 29.460 -0.442 0.000 1.155 237 W HN 0.235 nan 8.180 nan 0.000 0.484 238 N N 0.146 118.944 118.700 0.164 0.000 2.520 238 N HA -0.095 4.633 4.740 -0.019 0.000 0.185 238 N C 1.385 176.934 175.510 0.065 0.000 1.068 238 N CA 1.267 54.400 53.050 0.138 0.000 0.911 238 N CB -0.398 38.145 38.487 0.093 0.000 0.961 238 N HN -0.012 nan 8.380 nan 0.000 0.446 239 S N -0.416 115.304 115.700 0.034 0.000 2.597 239 S HA 0.076 4.535 4.470 -0.019 0.000 0.224 239 S C 0.728 175.458 174.600 0.217 0.000 0.955 239 S CA -0.252 58.025 58.200 0.129 0.000 0.933 239 S CB 0.180 63.508 63.200 0.213 0.000 0.788 239 S HN 0.370 nan 8.310 nan 0.000 0.488 240 S N -0.015 115.747 115.700 0.103 0.000 2.801 240 S HA 0.329 4.787 4.470 -0.019 0.000 0.236 240 S C 0.610 175.128 174.600 -0.137 0.000 0.852 240 S CA -0.450 57.791 58.200 0.067 0.000 1.089 240 S CB -0.801 62.520 63.200 0.202 0.000 1.376 240 S HN 0.254 nan 8.310 nan 0.000 0.470 241 L N 0.556 121.727 121.223 -0.087 0.000 2.201 241 L HA 0.064 4.393 4.340 -0.019 0.000 0.212 241 L C 1.308 178.095 176.870 -0.140 0.000 1.105 241 L CA 1.077 55.854 54.840 -0.104 0.000 0.775 241 L CB -0.213 41.853 42.059 0.011 0.000 0.913 241 L HN 0.495 nan 8.230 nan 0.000 0.440 242 Q N -0.936 118.792 119.800 -0.119 0.000 2.226 242 Q HA 0.265 4.594 4.340 -0.019 0.000 0.256 242 Q C -0.128 175.767 176.000 -0.175 0.000 0.962 242 Q CA -0.361 55.372 55.803 -0.117 0.000 0.887 242 Q CB 1.882 30.586 28.738 -0.055 0.000 1.282 242 Q HN -0.028 nan 8.270 nan 0.000 0.449 243 S N 1.976 117.571 115.700 -0.174 0.000 2.560 243 S HA 0.050 4.508 4.470 -0.019 0.000 0.227 243 S C 0.248 174.799 174.600 -0.082 0.000 1.280 243 S CA -0.441 57.631 58.200 -0.214 0.000 1.260 243 S CB -0.431 62.590 63.200 -0.299 0.000 1.002 243 S HN 0.542 nan 8.310 nan 0.000 0.509 244 N N 1.359 120.034 118.700 -0.043 0.000 2.376 244 N HA 0.081 4.810 4.740 -0.019 0.000 0.249 244 N C -0.504 175.027 175.510 0.035 0.000 1.140 244 N CA -0.376 52.675 53.050 0.002 0.000 0.870 244 N CB 0.294 38.781 38.487 -0.000 0.000 1.124 244 N HN 0.090 nan 8.380 nan 0.000 0.505 245 K N 0.706 121.144 120.400 0.064 0.000 2.371 245 K HA 0.292 4.601 4.320 -0.019 0.000 0.251 245 K C -0.075 176.628 176.600 0.172 0.000 0.934 245 K CA -0.553 55.801 56.287 0.111 0.000 0.798 245 K CB 2.157 34.729 32.500 0.119 0.000 1.204 245 K HN 0.075 nan 8.250 nan 0.000 0.427 246 E N 3.112 123.389 120.200 0.129 0.000 2.384 246 E HA 0.065 4.404 4.350 -0.019 0.000 0.266 246 E C -1.967 174.678 176.600 0.075 0.000 1.012 246 E CA -1.568 54.884 56.400 0.087 0.000 0.901 246 E CB 0.345 30.071 29.700 0.043 0.000 0.967 246 E HN 0.193 nan 8.360 nan 0.000 0.435 247 P HA 0.041 nan 4.420 nan 0.000 0.237 247 P C 0.884 178.106 177.300 -0.130 0.000 1.788 247 P CA 0.023 62.980 63.100 -0.238 0.000 1.061 247 P CB 0.035 31.322 31.700 -0.689 0.000 1.967 248 V N 2.319 122.206 119.914 -0.046 0.000 2.380 248 V HA -0.222 3.887 4.120 -0.019 0.000 0.251 248 V C 2.794 178.828 176.094 -0.101 0.000 1.063 248 V CA 2.645 64.854 62.300 -0.152 0.000 1.055 248 V CB -1.563 29.970 31.823 -0.483 0.000 0.657 248 V HN 0.418 nan 8.190 nan 0.000 0.455 249 G N -0.700 108.195 108.800 0.158 0.000 2.462 249 G HA2 -0.254 3.694 3.960 -0.019 0.000 0.220 249 G HA3 -0.254 3.694 3.960 -0.019 0.000 0.220 249 G C 1.579 176.364 174.900 -0.193 0.000 1.121 249 G CA 0.749 45.946 45.100 0.162 0.000 0.758 249 G HN 0.532 nan 8.290 nan 0.000 0.559 250 I N 0.287 120.750 120.570 -0.177 0.000 2.700 250 I HA -0.037 4.122 4.170 -0.019 0.000 0.261 250 I C 2.315 178.219 176.117 -0.354 0.000 1.219 250 I CA 0.319 61.501 61.300 -0.196 0.000 1.463 250 I CB 0.100 37.985 38.000 -0.192 0.000 1.092 250 I HN 0.153 nan 8.210 nan 0.000 0.452 251 L N 0.080 120.993 121.223 -0.518 0.000 2.201 251 L HA -0.182 4.147 4.340 -0.019 0.000 0.212 251 L C 2.470 178.526 176.870 -1.357 0.000 1.105 251 L CA 1.709 56.104 54.840 -0.741 0.000 0.775 251 L CB -0.902 40.756 42.059 -0.669 0.000 0.913 251 L HN 0.404 nan 8.230 nan 0.000 0.440 252 T N -4.147 109.546 114.554 -1.435 0.000 3.113 252 T HA -0.067 4.271 4.350 -0.019 0.000 0.263 252 T C 1.635 175.911 174.700 -0.707 0.000 1.143 252 T CA 0.848 62.075 62.100 -1.455 0.000 1.090 252 T CB -0.266 67.967 68.868 -1.058 0.000 0.922 252 T HN 0.405 nan 8.240 nan 0.000 0.521 253 S N -0.287 115.101 115.700 -0.520 0.000 2.556 253 S HA 0.222 4.680 4.470 -0.019 0.000 0.216 253 S C 0.699 175.098 174.600 -0.334 0.000 0.970 253 S CA -0.744 57.181 58.200 -0.457 0.000 0.912 253 S CB -0.300 62.629 63.200 -0.452 0.000 0.790 253 S HN 0.375 nan 8.310 nan 0.000 0.504 254 N N 1.895 120.410 118.700 -0.309 0.000 2.413 254 N HA 0.189 4.917 4.740 -0.019 0.000 0.266 254 N C -0.421 175.074 175.510 -0.026 0.000 1.238 254 N CA -0.360 52.615 53.050 -0.125 0.000 0.972 254 N CB 0.384 38.829 38.487 -0.070 0.000 1.210 254 N HN 0.429 nan 8.380 nan 0.000 0.547 255 H N 0.919 119.964 119.070 -0.042 0.000 3.001 255 H HA 0.025 4.569 4.556 -0.019 0.000 0.334 255 H C 1.230 176.576 175.328 0.030 0.000 1.034 255 H CA 0.265 56.289 56.048 -0.039 0.000 1.420 255 H CB 0.722 30.453 29.762 -0.052 0.000 1.405 255 H HN 0.333 nan 8.280 nan 0.000 0.593 256 R N 3.300 123.669 120.500 -0.217 0.000 2.105 256 R HA -0.147 4.182 4.340 -0.019 0.000 0.239 256 R C 1.489 177.858 176.300 0.116 0.000 1.135 256 R CA 1.180 57.276 56.100 -0.007 0.000 0.967 256 R CB -0.684 29.538 30.300 -0.129 0.000 0.861 256 R HN 0.677 nan 8.270 nan 0.000 0.442 257 N N 0.106 118.968 118.700 0.269 0.000 2.084 257 N HA -0.099 4.630 4.740 -0.019 0.000 0.190 257 N C 1.653 177.261 175.510 0.163 0.000 1.030 257 N CA 1.927 55.102 53.050 0.209 0.000 0.849 257 N CB -0.564 38.055 38.487 0.220 0.000 1.012 257 N HN 0.200 nan 8.380 nan 0.000 0.423 258 T N -0.056 114.626 114.554 0.212 0.000 2.737 258 T HA -0.148 4.190 4.350 -0.019 0.000 0.265 258 T C 1.543 176.389 174.700 0.244 0.000 1.038 258 T CA 0.856 63.053 62.100 0.163 0.000 1.144 258 T CB -0.440 68.511 68.868 0.139 0.000 0.866 258 T HN 0.480 nan 8.240 nan 0.000 0.434 259 W N 1.804 123.115 121.300 0.019 0.000 2.363 259 W HA -0.125 4.524 4.660 -0.018 0.000 0.296 259 W C 2.484 179.033 176.519 0.050 0.000 1.212 259 W CA 0.603 57.949 57.345 0.000 0.000 1.260 259 W CB -0.152 29.271 29.460 -0.060 0.000 1.131 259 W HN 0.299 nan 8.180 nan 0.000 0.530 260 A N 0.922 123.720 122.820 -0.036 0.000 1.908 260 A HA -0.288 4.021 4.320 -0.019 0.000 0.218 260 A C 1.975 179.517 177.584 -0.070 0.000 1.181 260 A CA 2.159 54.093 52.037 -0.172 0.000 0.627 260 A CB -0.965 17.989 19.000 -0.075 0.000 0.818 260 A HN 0.400 nan 8.150 nan 0.000 0.445 261 K N -0.623 119.784 120.400 0.012 0.000 2.062 261 K HA 0.048 4.356 4.320 -0.019 0.000 0.205 261 K C 2.119 178.744 176.600 0.042 0.000 1.051 261 K CA 1.012 57.314 56.287 0.025 0.000 0.941 261 K CB -0.279 32.243 32.500 0.037 0.000 0.719 261 K HN 0.347 nan 8.250 nan 0.000 0.440 262 A N 0.286 123.175 122.820 0.116 0.000 1.969 262 A HA -0.165 4.144 4.320 -0.019 0.000 0.218 262 A C 1.990 179.656 177.584 0.137 0.000 1.169 262 A CA 1.117 53.264 52.037 0.184 0.000 0.635 262 A CB -0.730 18.479 19.000 0.349 0.000 0.810 262 A HN 0.572 nan 8.150 nan 0.000 0.445 263 Y N 1.293 121.426 120.300 -0.279 0.000 2.133 263 Y HA -0.218 4.321 4.550 -0.019 0.000 0.287 263 Y C 2.326 178.096 175.900 -0.217 0.000 1.134 263 Y CA 1.966 59.722 58.100 -0.573 0.000 1.133 263 Y CB -0.431 37.261 38.460 -1.281 0.000 0.987 263 Y HN 0.438 nan 8.280 nan 0.000 0.502 264 N N 0.553 119.156 118.700 -0.162 0.000 2.094 264 N HA -0.295 4.434 4.740 -0.019 0.000 0.191 264 N C 1.648 177.069 175.510 -0.147 0.000 1.023 264 N CA 1.864 54.818 53.050 -0.161 0.000 0.857 264 N CB -0.527 37.936 38.487 -0.041 0.000 1.013 264 N HN 0.532 nan 8.380 nan 0.000 0.426 265 N N 0.427 119.081 118.700 -0.077 0.000 2.188 265 N HA -0.119 4.610 4.740 -0.019 0.000 0.184 265 N C 1.901 177.386 175.510 -0.041 0.000 1.018 265 N CA 0.595 53.622 53.050 -0.039 0.000 0.858 265 N CB -0.347 38.142 38.487 0.002 0.000 0.989 265 N HN 0.191 nan 8.380 nan 0.000 0.426 266 L N 1.255 122.452 121.223 -0.043 0.000 2.012 266 L HA -0.046 4.283 4.340 -0.019 0.000 0.210 266 L C 1.636 178.489 176.870 -0.030 0.000 1.073 266 L CA 1.557 56.401 54.840 0.006 0.000 0.748 266 L CB -0.683 41.424 42.059 0.080 0.000 0.891 266 L HN 0.480 nan 8.230 nan 0.000 0.431 267 I N -4.129 116.330 120.570 -0.184 0.000 3.686 267 I HA -0.017 4.141 4.170 -0.019 0.000 0.308 267 I C 1.724 177.780 176.117 -0.102 0.000 1.254 267 I CA 0.352 61.552 61.300 -0.168 0.000 1.175 267 I CB -0.612 37.183 38.000 -0.342 0.000 1.009 267 I HN 0.155 nan 8.210 nan 0.000 0.459 268 K N 1.250 121.610 120.400 -0.068 0.000 2.155 268 K HA -0.055 4.253 4.320 -0.019 0.000 0.203 268 K C 0.555 177.141 176.600 -0.023 0.000 1.052 268 K CA 0.777 57.038 56.287 -0.042 0.000 0.948 268 K CB -0.109 32.374 32.500 -0.028 0.000 0.728 268 K HN 0.453 nan 8.250 nan 0.000 0.448 269 D N 0.760 121.155 120.400 -0.007 0.000 2.345 269 D HA -0.029 4.599 4.640 -0.019 0.000 0.247 269 D C 0.961 177.253 176.300 -0.013 0.000 1.108 269 D CA 0.035 54.035 54.000 0.001 0.000 0.894 269 D CB 1.147 41.963 40.800 0.026 0.000 1.203 269 D HN -0.094 nan 8.370 nan 0.000 0.430 270 K N 2.397 122.784 120.400 -0.022 0.000 2.009 270 K HA -0.169 4.140 4.320 -0.019 0.000 0.210 270 K C 1.527 178.095 176.600 -0.055 0.000 1.049 270 K CA 1.493 57.759 56.287 -0.035 0.000 0.929 270 K CB -0.164 32.316 32.500 -0.034 0.000 0.714 270 K HN 0.421 nan 8.250 nan 0.000 0.440 271 V N 2.271 122.150 119.914 -0.060 0.000 2.295 271 V HA -0.273 3.836 4.120 -0.019 0.000 0.246 271 V C 2.042 178.048 176.094 -0.148 0.000 1.049 271 V CA 2.118 64.355 62.300 -0.106 0.000 1.024 271 V CB -0.823 30.941 31.823 -0.097 0.000 0.648 271 V HN 0.419 nan 8.190 nan 0.000 0.447 272 N N 0.258 118.921 118.700 -0.062 0.000 2.104 272 N HA -0.210 4.518 4.740 -0.019 0.000 0.190 272 N C 1.945 177.450 175.510 -0.008 0.000 1.024 272 N CA 1.687 54.751 53.050 0.024 0.000 0.853 272 N CB -0.517 38.107 38.487 0.228 0.000 1.008 272 N HN 0.462 nan 8.380 nan 0.000 0.424 273 R N 1.013 121.494 120.500 -0.031 0.000 2.096 273 R HA -0.081 4.248 4.340 -0.019 0.000 0.235 273 R C 1.997 178.254 176.300 -0.073 0.000 1.127 273 R CA 1.354 57.428 56.100 -0.043 0.000 0.968 273 R CB -0.030 30.242 30.300 -0.046 0.000 0.861 273 R HN 0.354 nan 8.270 nan 0.000 0.440 274 E N -0.543 119.588 120.200 -0.116 0.000 2.072 274 E HA -0.115 4.224 4.350 -0.019 0.000 0.190 274 E C 1.692 178.165 176.600 -0.211 0.000 0.982 274 E CA 1.331 57.644 56.400 -0.146 0.000 0.803 274 E CB 0.090 29.701 29.700 -0.148 0.000 0.755 274 E HN 0.254 nan 8.360 nan 0.000 0.453 275 S N 0.086 115.599 115.700 -0.311 0.000 2.359 275 S HA -0.151 4.307 4.470 -0.019 0.000 0.224 275 S C 2.034 176.420 174.600 -0.358 0.000 1.035 275 S CA 1.194 59.120 58.200 -0.457 0.000 1.018 275 S CB -0.235 62.390 63.200 -0.959 0.000 0.876 275 S HN 0.150 nan 8.310 nan 0.000 0.448 276 V N 2.988 122.782 119.914 -0.200 0.000 2.332 276 V HA -0.218 3.890 4.120 -0.019 0.000 0.248 276 V C 2.336 178.350 176.094 -0.133 0.000 1.055 276 V CA 1.776 63.998 62.300 -0.129 0.000 1.038 276 V CB -0.789 31.128 31.823 0.156 0.000 0.651 276 V HN 0.587 nan 8.190 nan 0.000 0.450 277 N N -0.367 118.280 118.700 -0.089 0.000 2.104 277 N HA -0.217 4.512 4.740 -0.019 0.000 0.190 277 N C 2.162 177.584 175.510 -0.146 0.000 1.024 277 N CA 1.765 54.767 53.050 -0.080 0.000 0.853 277 N CB -0.021 38.421 38.487 -0.075 0.000 1.008 277 N HN 0.455 nan 8.380 nan 0.000 0.424 278 S N 0.651 116.248 115.700 -0.171 0.000 2.356 278 S HA -0.063 4.395 4.470 -0.019 0.000 0.223 278 S C 2.119 176.705 174.600 -0.022 0.000 1.032 278 S CA 0.796 58.926 58.200 -0.117 0.000 1.005 278 S CB -0.264 62.821 63.200 -0.191 0.000 0.867 278 S HN 0.332 nan 8.310 nan 0.000 0.449 279 I N 1.394 121.835 120.570 -0.215 0.000 2.127 279 I HA -0.249 3.910 4.170 -0.019 0.000 0.241 279 I C 2.815 178.813 176.117 -0.199 0.000 1.075 279 I CA 1.608 62.719 61.300 -0.315 0.000 1.334 279 I CB -0.560 36.942 38.000 -0.830 0.000 1.040 279 I HN 0.427 nan 8.210 nan 0.000 0.405 280 Q N 0.722 120.437 119.800 -0.143 0.000 2.135 280 Q HA -0.227 4.101 4.340 -0.019 0.000 0.204 280 Q C 2.085 178.096 176.000 0.018 0.000 0.981 280 Q CA 1.397 57.226 55.803 0.044 0.000 0.856 280 Q CB -0.153 28.688 28.738 0.170 0.000 0.902 280 Q HN 0.533 nan 8.270 nan 0.000 0.425 281 K N 0.869 121.118 120.400 -0.253 0.000 2.305 281 K HA 0.022 4.331 4.320 -0.019 0.000 0.199 281 K C 0.954 177.385 176.600 -0.280 0.000 1.047 281 K CA 0.325 56.306 56.287 -0.510 0.000 0.976 281 K CB 0.155 32.238 32.500 -0.694 0.000 0.765 281 K HN 0.129 nan 8.250 nan 0.000 0.474 282 S N 0.995 116.493 115.700 -0.337 0.000 2.561 282 S HA -0.041 4.418 4.470 -0.019 0.000 0.294 282 S C 1.299 175.739 174.600 -0.266 0.000 1.294 282 S CA -0.243 57.595 58.200 -0.604 0.000 1.055 282 S CB 0.253 63.212 63.200 -0.402 0.000 0.819 282 S HN 0.125 nan 8.310 nan 0.000 0.503 283 I N 1.359 121.761 120.570 -0.279 0.000 2.264 283 I HA -0.029 4.129 4.170 -0.019 0.000 0.248 283 I C 0.736 176.979 176.117 0.211 0.000 1.111 283 I CA 1.400 62.702 61.300 0.004 0.000 1.382 283 I CB -0.502 37.535 38.000 0.060 0.000 1.060 283 I HN 0.829 nan 8.210 nan 0.000 0.418 284 F N -2.924 117.042 119.950 0.026 0.000 2.842 284 F HA 0.490 5.006 4.527 -0.019 0.000 0.319 284 F C -1.028 174.839 175.800 0.113 0.000 1.159 284 F CA -1.225 56.838 58.000 0.105 0.000 0.902 284 F CB 0.723 39.842 39.000 0.198 0.000 1.311 284 F HN -0.509 nan 8.300 nan 0.000 0.453 285 T N 1.672 116.463 114.554 0.396 0.000 2.855 285 T HA 0.690 5.028 4.350 -0.019 0.000 0.281 285 T C -1.186 173.766 174.700 0.420 0.000 1.007 285 T CA -0.677 61.590 62.100 0.278 0.000 1.009 285 T CB 1.912 70.938 68.868 0.265 0.000 0.983 285 T HN 0.602 nan 8.240 nan 0.000 0.455 286 V N 2.363 122.450 119.914 0.288 0.000 2.409 286 V HA 0.339 4.447 4.120 -0.019 0.000 0.291 286 V C -0.312 175.909 176.094 0.211 0.000 1.020 286 V CA -0.825 61.656 62.300 0.301 0.000 0.848 286 V CB 1.283 33.244 31.823 0.229 0.000 0.990 286 V HN 1.073 nan 8.190 nan 0.000 0.430 287 C N 6.448 125.877 119.300 0.216 0.000 2.264 287 C HA 0.538 4.987 4.460 -0.019 0.000 0.324 287 C C 0.331 175.439 174.990 0.197 0.000 1.267 287 C CA -0.946 58.174 59.018 0.170 0.000 1.618 287 C CB -0.201 27.627 27.740 0.147 0.000 2.278 287 C HN 0.705 nan 8.230 nan 0.000 0.499 288 L N 3.886 125.227 121.223 0.196 0.000 2.315 288 L HA 0.259 4.587 4.340 -0.019 0.000 0.278 288 L C -0.180 176.865 176.870 0.292 0.000 1.088 288 L CA 0.040 55.037 54.840 0.262 0.000 0.899 288 L CB -0.233 41.983 42.059 0.262 0.000 1.277 288 L HN 0.627 nan 8.230 nan 0.000 0.431 289 D N 2.734 123.295 120.400 0.269 0.000 2.382 289 D HA 0.136 4.765 4.640 -0.019 0.000 0.240 289 D C 0.324 176.782 176.300 0.263 0.000 1.146 289 D CA -0.008 54.135 54.000 0.239 0.000 0.897 289 D CB 0.988 41.920 40.800 0.220 0.000 1.197 289 D HN 0.401 nan 8.370 nan 0.000 0.432 290 K N 0.214 120.732 120.400 0.196 0.000 2.090 290 K HA 0.259 4.567 4.320 -0.019 0.000 0.249 290 K C 0.134 176.854 176.600 0.199 0.000 0.995 290 K CA -0.912 55.486 56.287 0.185 0.000 0.914 290 K CB 0.998 33.539 32.500 0.068 0.000 1.057 290 K HN 0.295 nan 8.250 nan 0.000 0.462 291 Q N 1.406 121.323 119.800 0.195 0.000 2.330 291 Q HA 0.086 4.414 4.340 -0.019 0.000 0.279 291 Q C -0.466 175.626 176.000 0.155 0.000 1.024 291 Q CA -0.526 55.378 55.803 0.168 0.000 0.900 291 Q CB 0.696 29.526 28.738 0.153 0.000 1.221 291 Q HN 0.545 nan 8.270 nan 0.000 0.396 292 V N 1.404 121.387 119.914 0.115 0.000 3.019 292 V HA 0.689 4.797 4.120 -0.019 0.000 0.317 292 V C -2.416 173.703 176.094 0.041 0.000 1.094 292 V CA -2.281 60.059 62.300 0.067 0.000 1.000 292 V CB 0.843 32.607 31.823 -0.098 0.000 1.060 292 V HN 0.788 nan 8.190 nan 0.000 0.443 293 P HA 0.283 nan 4.420 nan 0.000 0.267 293 P C -0.550 176.739 177.300 -0.019 0.000 1.200 293 P CA -0.126 62.997 63.100 0.039 0.000 0.772 293 P CB 0.259 32.011 31.700 0.085 0.000 0.855 294 R N 1.959 122.454 120.500 -0.009 0.000 2.594 294 R HA 0.406 4.734 4.340 -0.019 0.000 0.272 294 R C -0.623 175.636 176.300 -0.068 0.000 1.074 294 R CA -0.118 55.963 56.100 -0.032 0.000 1.105 294 R CB 0.008 30.290 30.300 -0.029 0.000 1.008 294 R HN 0.375 nan 8.270 nan 0.000 0.472 295 V N 0.293 120.151 119.914 -0.094 0.000 3.130 295 V HA 0.625 4.733 4.120 -0.019 0.000 0.310 295 V C -0.540 175.504 176.094 -0.083 0.000 1.158 295 V CA -0.816 61.396 62.300 -0.146 0.000 1.029 295 V CB 1.851 33.431 31.823 -0.406 0.000 1.057 295 V HN 0.932 nan 8.190 nan 0.000 0.436 296 S N 0.591 116.255 115.700 -0.062 0.000 2.552 296 S HA 0.034 4.493 4.470 -0.019 0.000 0.289 296 S C 0.629 175.229 174.600 0.000 0.000 1.304 296 S CA 0.354 58.539 58.200 -0.025 0.000 1.063 296 S CB 0.215 63.414 63.200 -0.001 0.000 0.848 296 S HN 0.840 nan 8.310 nan 0.000 0.499 297 D N 2.111 122.501 120.400 -0.016 0.000 2.158 297 D HA -0.182 4.447 4.640 -0.019 0.000 0.197 297 D C 1.632 177.971 176.300 0.065 0.000 0.995 297 D CA 1.722 55.721 54.000 -0.002 0.000 0.846 297 D CB -0.358 40.413 40.800 -0.047 0.000 0.941 297 D HN 0.912 nan 8.370 nan 0.000 0.456 298 D N 1.115 121.545 120.400 0.051 0.000 2.264 298 D HA -0.126 4.502 4.640 -0.019 0.000 0.208 298 D C 1.842 178.199 176.300 0.095 0.000 0.966 298 D CA 0.844 54.884 54.000 0.067 0.000 0.864 298 D CB -0.194 40.639 40.800 0.054 0.000 0.933 298 D HN 0.327 nan 8.370 nan 0.000 0.499 299 V N -3.413 116.567 119.914 0.111 0.000 3.528 299 V HA 0.196 4.304 4.120 -0.019 0.000 0.294 299 V C 2.005 178.220 176.094 0.203 0.000 1.404 299 V CA -0.534 61.861 62.300 0.157 0.000 1.065 299 V CB -0.867 31.075 31.823 0.198 0.000 0.904 299 V HN -0.046 nan 8.190 nan 0.000 0.435 300 Y N 2.499 122.805 120.300 0.011 0.000 2.053 300 Y HA -0.195 4.347 4.550 -0.013 0.000 0.277 300 Y C 2.728 178.645 175.900 0.029 0.000 1.159 300 Y CA 2.556 60.645 58.100 -0.018 0.000 1.125 300 Y CB -0.227 38.207 38.460 -0.043 0.000 0.969 300 Y HN 0.156 nan 8.280 nan 0.000 0.492 301 R N -0.046 120.416 120.500 -0.063 0.000 2.105 301 R HA -0.194 4.135 4.340 -0.019 0.000 0.239 301 R C 1.875 178.069 176.300 -0.176 0.000 1.135 301 R CA 1.422 57.420 56.100 -0.169 0.000 0.967 301 R CB -0.353 29.934 30.300 -0.021 0.000 0.861 301 R HN 0.455 nan 8.270 nan 0.000 0.442 302 N N -0.096 118.556 118.700 -0.079 0.000 2.166 302 N HA -0.137 4.592 4.740 -0.019 0.000 0.186 302 N C 1.531 176.926 175.510 -0.191 0.000 1.019 302 N CA 1.349 54.322 53.050 -0.128 0.000 0.856 302 N CB -0.403 38.049 38.487 -0.058 0.000 0.993 302 N HN 0.363 nan 8.380 nan 0.000 0.426 303 H N 0.021 118.965 119.070 -0.209 0.000 2.357 303 H HA 0.067 4.612 4.556 -0.017 0.000 0.301 303 H C 2.069 177.227 175.328 -0.283 0.000 1.082 303 H CA 0.884 56.805 56.048 -0.211 0.000 1.342 303 H CB -0.197 29.457 29.762 -0.179 0.000 1.389 303 H HN -0.071 nan 8.280 nan 0.000 0.511 304 V N 0.601 120.355 119.914 -0.267 0.000 2.295 304 V HA -0.276 3.833 4.120 -0.019 0.000 0.246 304 V C 2.578 178.532 176.094 -0.233 0.000 1.049 304 V CA 1.713 63.846 62.300 -0.279 0.000 1.024 304 V CB -1.073 30.513 31.823 -0.395 0.000 0.648 304 V HN 0.576 nan 8.190 nan 0.000 0.447 305 A N 0.529 123.134 122.820 -0.359 0.000 1.978 305 A HA -0.101 4.207 4.320 -0.019 0.000 0.220 305 A C 2.387 179.631 177.584 -0.565 0.000 1.170 305 A CA 1.929 53.555 52.037 -0.684 0.000 0.636 305 A CB -1.102 17.230 19.000 -1.112 0.000 0.810 305 A HN 0.546 nan 8.150 nan 0.000 0.448 306 G N -1.022 107.505 108.800 -0.455 0.000 2.408 306 G HA2 -0.233 3.716 3.960 -0.019 0.000 0.217 306 G HA3 -0.233 3.716 3.960 -0.019 0.000 0.217 306 G C 1.596 176.112 174.900 -0.640 0.000 1.150 306 G CA 0.991 45.731 45.100 -0.600 0.000 0.776 306 G HN 0.632 nan 8.290 nan 0.000 0.542 307 Q N -0.982 118.657 119.800 -0.269 0.000 2.119 307 Q HA -0.062 4.267 4.340 -0.019 0.000 0.201 307 Q C 2.372 178.368 176.000 -0.007 0.000 0.972 307 Q CA 1.118 56.865 55.803 -0.093 0.000 0.847 307 Q CB -0.116 28.608 28.738 -0.023 0.000 0.903 307 Q HN 0.365 nan 8.270 nan 0.000 0.433 308 M N -0.277 119.343 119.600 0.033 0.000 2.288 308 M HA -0.024 4.444 4.480 -0.019 0.000 0.266 308 M C 1.655 178.084 176.300 0.214 0.000 1.072 308 M CA 0.740 56.145 55.300 0.175 0.000 1.132 308 M CB -0.183 32.615 32.600 0.330 0.000 1.386 308 M HN 0.292 nan 8.290 nan 0.000 0.432 309 L N -0.522 120.802 121.223 0.168 0.000 2.102 309 L HA -0.063 4.265 4.340 -0.019 0.000 0.202 309 L C 2.215 179.158 176.870 0.123 0.000 1.076 309 L CA 1.709 56.656 54.840 0.179 0.000 0.761 309 L CB -0.410 41.752 42.059 0.172 0.000 0.921 309 L HN 0.597 nan 8.230 nan 0.000 0.444 310 H N -4.168 114.983 119.070 0.136 0.000 3.360 310 H HA 0.404 4.949 4.556 -0.019 0.000 0.262 310 H C 1.289 176.745 175.328 0.212 0.000 1.149 310 H CA 0.605 56.692 56.048 0.066 0.000 1.181 310 H CB 0.709 30.421 29.762 -0.083 0.000 1.564 310 H HN 0.267 nan 8.280 nan 0.000 0.565 311 G N 0.676 109.620 108.800 0.239 0.000 2.234 311 G HA2 -0.235 3.714 3.960 -0.019 0.000 0.235 311 G HA3 -0.235 3.714 3.960 -0.019 0.000 0.235 311 G C 1.303 176.416 174.900 0.355 0.000 0.997 311 G CA 0.720 46.005 45.100 0.308 0.000 0.623 311 G HN 1.341 nan 8.290 nan 0.000 0.514 312 G N -1.097 108.030 108.800 0.545 0.000 2.258 312 G HA2 0.461 4.409 3.960 -0.019 0.000 0.233 312 G HA3 0.461 4.409 3.960 -0.019 0.000 0.233 312 G C 1.437 176.696 174.900 0.597 0.000 1.006 312 G CA 0.921 46.337 45.100 0.527 0.000 0.620 312 G HN 2.942 nan 8.290 nan 0.000 0.511 313 G N -1.587 107.455 108.800 0.403 0.000 2.340 313 G HA2 0.479 4.428 3.960 -0.019 0.000 0.527 313 G HA3 0.479 4.428 3.960 -0.019 0.000 0.527 313 G C 0.750 175.684 174.900 0.057 0.000 1.381 313 G CA 0.924 46.124 45.100 0.166 0.000 1.001 313 G HN 1.772 nan 8.290 nan 0.000 0.626 314 S N -0.829 114.838 115.700 -0.056 0.000 2.500 314 S HA -0.097 4.362 4.470 -0.019 0.000 0.239 314 S C 1.688 176.234 174.600 -0.090 0.000 0.989 314 S CA 1.751 59.893 58.200 -0.096 0.000 0.951 314 S CB -0.285 62.846 63.200 -0.114 0.000 0.759 314 S HN 1.025 nan 8.310 nan 0.000 0.523 315 K N -0.641 119.616 120.400 -0.238 0.000 2.374 315 K HA 0.312 4.620 4.320 -0.019 0.000 0.196 315 K C 0.603 176.982 176.600 -0.368 0.000 1.023 315 K CA -0.002 56.071 56.287 -0.358 0.000 1.103 315 K CB -0.104 32.034 32.500 -0.603 0.000 0.848 315 K HN 0.477 nan 8.250 nan 0.000 0.528 316 F N 0.968 121.019 119.950 0.168 0.000 2.171 316 F HA 0.272 4.789 4.527 -0.018 0.000 0.220 316 F C 1.340 177.278 175.800 0.230 0.000 1.118 316 F CA -0.918 57.187 58.000 0.174 0.000 1.229 316 F CB 0.292 39.384 39.000 0.154 0.000 1.616 316 F HN -0.140 nan 8.300 nan 0.000 0.477 317 N N -0.689 118.287 118.700 0.459 0.000 2.143 317 N HA 0.115 4.843 4.740 -0.019 0.000 0.229 317 N C 0.798 176.481 175.510 0.287 0.000 1.294 317 N CA 0.223 53.489 53.050 0.361 0.000 0.883 317 N CB 0.906 39.561 38.487 0.281 0.000 1.148 317 N HN 0.029 nan 8.380 nan 0.000 0.511 318 S N 0.114 115.969 115.700 0.258 0.000 2.423 318 S HA -0.051 4.408 4.470 -0.019 0.000 0.231 318 S C 1.909 176.571 174.600 0.103 0.000 1.014 318 S CA 1.212 59.552 58.200 0.234 0.000 0.965 318 S CB -0.061 63.246 63.200 0.179 0.000 0.785 318 S HN 0.506 nan 8.310 nan 0.000 0.495 319 G N 0.879 109.605 108.800 -0.124 0.000 2.712 319 G HA2 -0.061 3.887 3.960 -0.019 0.000 0.212 319 G HA3 -0.061 3.887 3.960 -0.019 0.000 0.212 319 G C 0.786 175.613 174.900 -0.123 0.000 1.142 319 G CA -0.097 44.758 45.100 -0.408 0.000 0.789 319 G HN 0.412 nan 8.290 nan 0.000 0.535 320 N N 0.739 119.521 118.700 0.136 0.000 2.843 320 N HA 0.162 4.890 4.740 -0.019 0.000 0.284 320 N C 0.091 175.627 175.510 0.044 0.000 1.274 320 N CA -0.081 53.066 53.050 0.162 0.000 1.045 320 N CB -0.069 38.555 38.487 0.228 0.000 1.370 320 N HN 0.125 nan 8.380 nan 0.000 0.525 321 R N -0.613 119.914 120.500 0.045 0.000 2.752 321 R HA 0.333 4.661 4.340 -0.019 0.000 0.271 321 R C -1.512 174.902 176.300 0.191 0.000 1.026 321 R CA -0.674 55.386 56.100 -0.067 0.000 0.901 321 R CB 1.218 31.149 30.300 -0.614 0.000 1.243 321 R HN 0.211 nan 8.270 nan 0.000 0.463 322 W N 2.487 123.692 121.300 -0.158 0.000 2.409 322 W HA 0.251 4.899 4.660 -0.020 0.000 0.285 322 W C -0.886 175.564 176.519 -0.114 0.000 1.030 322 W CA -0.693 56.644 57.345 -0.014 0.000 1.330 322 W CB 0.319 29.853 29.460 0.123 0.000 1.236 322 W HN 0.635 nan 8.180 nan 0.000 0.341 323 F N 1.411 121.288 119.950 -0.123 0.000 2.583 323 F HA -0.152 4.363 4.527 -0.020 0.000 0.297 323 F C 1.834 177.623 175.800 -0.018 0.000 1.131 323 F CA 1.110 59.067 58.000 -0.072 0.000 1.467 323 F CB -0.101 38.810 39.000 -0.149 0.000 1.097 323 F HN 0.018 nan 8.300 nan 0.000 0.586 324 D N -0.048 120.419 120.400 0.113 0.000 2.289 324 D HA -0.059 4.570 4.640 -0.019 0.000 0.207 324 D C 1.044 177.540 176.300 0.328 0.000 0.966 324 D CA 0.600 54.746 54.000 0.242 0.000 0.868 324 D CB -0.090 40.914 40.800 0.340 0.000 0.943 324 D HN 0.022 nan 8.370 nan 0.000 0.514 325 K N 0.956 121.609 120.400 0.422 0.000 2.416 325 K HA 0.032 4.341 4.320 -0.019 0.000 0.283 325 K C 1.065 177.798 176.600 0.220 0.000 1.037 325 K CA 0.255 56.741 56.287 0.333 0.000 0.995 325 K CB 0.619 33.320 32.500 0.335 0.000 0.938 325 K HN -0.233 nan 8.250 nan 0.000 0.475 326 T N 3.543 118.213 114.554 0.194 0.000 2.684 326 T HA -0.079 4.259 4.350 -0.019 0.000 0.267 326 T C 0.362 175.142 174.700 0.133 0.000 1.036 326 T CA 1.127 63.320 62.100 0.156 0.000 1.148 326 T CB -0.058 68.891 68.868 0.135 0.000 0.863 326 T HN 0.397 nan 8.240 nan 0.000 0.436 327 L N 1.645 122.946 121.223 0.129 0.000 2.319 327 L HA 0.451 4.780 4.340 -0.019 0.000 0.281 327 L C -0.509 176.406 176.870 0.074 0.000 1.005 327 L CA -0.455 54.406 54.840 0.035 0.000 0.828 327 L CB 1.713 43.806 42.059 0.058 0.000 1.227 327 L HN 0.096 nan 8.230 nan 0.000 0.415 328 Q N 3.509 123.261 119.800 -0.079 0.000 2.309 328 Q HA 0.485 4.814 4.340 -0.019 0.000 0.270 328 Q C -1.434 174.481 176.000 -0.141 0.000 1.023 328 Q CA -0.517 55.296 55.803 0.016 0.000 0.758 328 Q CB 2.590 31.340 28.738 0.019 0.000 1.247 328 Q HN 0.379 nan 8.270 nan 0.000 0.455 329 F N 2.581 122.616 119.950 0.140 0.000 2.421 329 F HA 0.508 5.023 4.527 -0.020 0.000 0.337 329 F C 0.184 176.070 175.800 0.142 0.000 1.105 329 F CA -0.584 57.481 58.000 0.108 0.000 1.049 329 F CB 1.012 40.050 39.000 0.063 0.000 1.139 329 F HN 0.314 nan 8.300 nan 0.000 0.479 330 I N 3.436 124.190 120.570 0.307 0.000 2.433 330 I HA 0.451 4.610 4.170 -0.019 0.000 0.292 330 I C -1.101 175.207 176.117 0.319 0.000 1.001 330 I CA -0.897 60.561 61.300 0.264 0.000 1.119 330 I CB 1.897 40.014 38.000 0.195 0.000 1.289 330 I HN 0.153 nan 8.210 nan 0.000 0.438 331 V N 5.745 125.851 119.914 0.320 0.000 2.325 331 V HA 0.526 4.635 4.120 -0.019 0.000 0.280 331 V C 0.492 176.803 176.094 0.361 0.000 1.016 331 V CA -0.602 61.935 62.300 0.394 0.000 0.818 331 V CB 1.267 33.325 31.823 0.391 0.000 1.019 331 V HN 0.863 nan 8.190 nan 0.000 0.434 332 A N 3.143 126.174 122.820 0.351 0.000 2.346 332 A HA 0.386 4.695 4.320 -0.019 0.000 0.252 332 A C 1.332 179.154 177.584 0.396 0.000 1.089 332 A CA -0.000 52.220 52.037 0.305 0.000 0.797 332 A CB 0.413 19.539 19.000 0.209 0.000 1.047 332 A HN 0.819 nan 8.150 nan 0.000 0.494 333 E N 0.346 120.743 120.200 0.327 0.000 2.107 333 E HA -0.193 4.146 4.350 -0.019 0.000 0.191 333 E C 0.719 177.516 176.600 0.328 0.000 0.982 333 E CA 1.634 58.243 56.400 0.348 0.000 0.809 333 E CB -0.127 29.741 29.700 0.281 0.000 0.756 333 E HN 0.801 nan 8.360 nan 0.000 0.459 334 D N -1.309 119.210 120.400 0.198 0.000 2.336 334 D HA 0.060 4.689 4.640 -0.019 0.000 0.229 334 D C 1.241 177.469 176.300 -0.120 0.000 1.061 334 D CA 0.926 54.971 54.000 0.075 0.000 0.875 334 D CB 0.113 40.969 40.800 0.093 0.000 0.904 334 D HN 0.314 nan 8.370 nan 0.000 0.525 335 G N -0.808 107.836 108.800 -0.262 0.000 2.238 335 G HA2 -0.241 3.707 3.960 -0.019 0.000 0.217 335 G HA3 -0.241 3.707 3.960 -0.019 0.000 0.217 335 G C 0.436 175.091 174.900 -0.408 0.000 0.996 335 G CA 0.076 44.604 45.100 -0.954 0.000 0.632 335 G HN 0.404 nan 8.290 nan 0.000 0.503 336 S N 0.325 115.978 115.700 -0.077 0.000 2.579 336 S HA 0.577 5.035 4.470 -0.019 0.000 0.275 336 S C 0.579 175.242 174.600 0.105 0.000 1.345 336 S CA 0.542 58.749 58.200 0.012 0.000 1.031 336 S CB 1.253 64.479 63.200 0.043 0.000 0.892 336 S HN 1.749 nan 8.310 nan 0.000 0.529 337 C N -0.247 119.126 119.300 0.122 0.000 3.285 337 C HA 1.010 5.459 4.460 -0.019 0.000 0.325 337 C C 0.122 175.240 174.990 0.214 0.000 1.304 337 C CA -0.033 59.126 59.018 0.234 0.000 1.319 337 C CB 0.847 28.801 27.740 0.357 0.000 1.640 337 C HN 1.065 nan 8.230 nan 0.000 0.477 338 G N 0.908 109.855 108.800 0.245 0.000 2.450 338 G HA2 0.847 4.795 3.960 -0.019 0.000 0.273 338 G HA3 0.847 4.795 3.960 -0.019 0.000 0.273 338 G C -1.332 173.655 174.900 0.146 0.000 1.221 338 G CA -0.148 45.066 45.100 0.189 0.000 0.900 338 G HN 2.043 nan 8.290 nan 0.000 0.483 339 M N -1.705 117.914 119.600 0.032 0.000 2.833 339 M HA 0.823 5.292 4.480 -0.019 0.000 0.270 339 M C -2.028 174.226 176.300 -0.077 0.000 1.209 339 M CA -1.050 54.188 55.300 -0.103 0.000 0.826 339 M CB 2.085 34.447 32.600 -0.397 0.000 1.657 339 M HN 1.385 nan 8.290 nan 0.000 0.492 340 V N 2.149 122.016 119.914 -0.078 0.000 2.777 340 V HA 0.805 4.914 4.120 -0.019 0.000 0.306 340 V C -2.170 173.929 176.094 0.008 0.000 1.112 340 V CA -0.222 62.066 62.300 -0.021 0.000 0.917 340 V CB 2.325 34.198 31.823 0.084 0.000 1.018 340 V HN 0.992 nan 8.190 nan 0.000 0.426 341 Y N 3.059 123.285 120.300 -0.122 0.000 2.499 341 Y HA 0.759 5.297 4.550 -0.020 0.000 0.347 341 Y C -0.360 175.496 175.900 -0.073 0.000 0.987 341 Y CA -1.064 56.963 58.100 -0.121 0.000 1.044 341 Y CB 1.591 39.931 38.460 -0.200 0.000 1.245 341 Y HN 0.595 nan 8.280 nan 0.000 0.461 342 E N 2.841 123.083 120.200 0.070 0.000 2.217 342 E HA -0.001 4.338 4.350 -0.019 0.000 0.279 342 E C 0.421 177.025 176.600 0.008 0.000 1.068 342 E CA 0.334 56.745 56.400 0.018 0.000 0.882 342 E CB 0.224 29.981 29.700 0.094 0.000 1.039 342 E HN 0.926 nan 8.360 nan 0.000 0.418 343 H N 3.957 122.869 119.070 -0.264 0.000 2.456 343 H HA -0.094 4.450 4.556 -0.019 0.000 0.296 343 H C 1.482 176.421 175.328 -0.647 0.000 1.079 343 H CA 1.424 57.222 56.048 -0.417 0.000 1.322 343 H CB 0.275 29.678 29.762 -0.600 0.000 1.388 343 H HN 0.602 nan 8.280 nan 0.000 0.538 344 A N 0.600 123.180 122.820 -0.401 0.000 1.986 344 A HA -0.160 4.149 4.320 -0.019 0.000 0.220 344 A C 2.691 180.223 177.584 -0.087 0.000 1.171 344 A CA 1.753 53.603 52.037 -0.312 0.000 0.640 344 A CB -0.840 18.119 19.000 -0.069 0.000 0.811 344 A HN 0.505 nan 8.150 nan 0.000 0.451 345 A N -0.663 122.153 122.820 -0.007 0.000 1.821 345 A HA 0.447 4.755 4.320 -0.019 0.000 0.215 345 A C 1.451 179.056 177.584 0.035 0.000 1.214 345 A CA 2.009 54.067 52.037 0.034 0.000 0.608 345 A CB -0.808 18.221 19.000 0.050 0.000 0.862 345 A HN 1.494 nan 8.150 nan 0.000 0.448 346 A N -2.350 120.491 122.820 0.034 0.000 2.525 346 A HA 0.670 4.979 4.320 -0.019 0.000 0.291 346 A C -0.847 176.779 177.584 0.071 0.000 1.268 346 A CA -0.635 51.401 52.037 -0.002 0.000 0.712 346 A CB 0.467 19.375 19.000 -0.153 0.000 1.320 346 A HN 0.232 nan 8.150 nan 0.000 0.456 347 E N -0.781 119.420 120.200 0.001 0.000 2.700 347 E HA 0.431 4.769 4.350 -0.019 0.000 0.253 347 E C 1.348 177.866 176.600 -0.137 0.000 1.175 347 E CA 0.085 56.529 56.400 0.073 0.000 1.010 347 E CB 0.254 30.012 29.700 0.097 0.000 1.284 347 E HN 0.709 nan 8.360 nan 0.000 0.557 348 G N 0.822 109.599 108.800 -0.038 0.000 2.434 348 G HA2 -0.150 3.799 3.960 -0.019 0.000 0.214 348 G HA3 -0.150 3.799 3.960 -0.019 0.000 0.214 348 G C -1.089 173.725 174.900 -0.143 0.000 1.202 348 G CA 0.641 45.681 45.100 -0.100 0.000 0.788 348 G HN 0.345 nan 8.290 nan 0.000 0.539 349 P HA -0.134 nan 4.420 nan 0.000 0.217 349 P C -1.307 175.943 177.300 -0.083 0.000 1.162 349 P CA 2.267 65.334 63.100 -0.055 0.000 0.901 349 P CB -0.804 30.885 31.700 -0.019 0.000 0.793 350 P HA -0.151 nan 4.420 nan 0.000 0.215 350 P C 1.510 178.674 177.300 -0.227 0.000 1.153 350 P CA 1.291 64.182 63.100 -0.349 0.000 0.853 350 P CB -0.560 30.750 31.700 -0.651 0.000 0.788 351 I N -0.574 119.794 120.570 -0.337 0.000 2.226 351 I HA -0.150 4.008 4.170 -0.019 0.000 0.245 351 I C 2.403 178.375 176.117 -0.243 0.000 1.100 351 I CA 1.656 62.723 61.300 -0.388 0.000 1.374 351 I CB -1.722 35.878 38.000 -0.666 0.000 1.057 351 I HN -0.052 nan 8.210 nan 0.000 0.413 352 V N 0.326 120.141 119.914 -0.164 0.000 2.490 352 V HA -0.119 3.990 4.120 -0.019 0.000 0.250 352 V C 2.654 178.723 176.094 -0.041 0.000 1.061 352 V CA 1.555 63.805 62.300 -0.083 0.000 1.064 352 V CB -1.284 30.511 31.823 -0.047 0.000 0.670 352 V HN 0.267 nan 8.190 nan 0.000 0.461 353 A N 0.627 123.448 122.820 0.001 0.000 1.902 353 A HA -0.111 4.198 4.320 -0.019 0.000 0.217 353 A C 2.293 179.833 177.584 -0.074 0.000 1.181 353 A CA 2.169 54.258 52.037 0.087 0.000 0.623 353 A CB -0.667 18.509 19.000 0.293 0.000 0.818 353 A HN 0.679 nan 8.150 nan 0.000 0.443 354 L N -0.377 120.618 121.223 -0.381 0.000 2.056 354 L HA -0.105 4.223 4.340 -0.019 0.000 0.207 354 L C 2.359 179.026 176.870 -0.339 0.000 1.078 354 L CA 1.344 55.649 54.840 -0.891 0.000 0.749 354 L CB -0.197 41.306 42.059 -0.926 0.000 0.901 354 L HN 0.192 nan 8.230 nan 0.000 0.433 355 V N 0.236 120.059 119.914 -0.152 0.000 2.295 355 V HA -0.311 3.797 4.120 -0.019 0.000 0.246 355 V C 2.194 178.303 176.094 0.025 0.000 1.049 355 V CA 2.137 64.431 62.300 -0.011 0.000 1.024 355 V CB -0.716 31.111 31.823 0.007 0.000 0.648 355 V HN 0.504 nan 8.190 nan 0.000 0.447 356 D N -1.317 119.100 120.400 0.028 0.000 2.149 356 D HA -0.186 4.443 4.640 -0.019 0.000 0.198 356 D C 2.085 178.437 176.300 0.087 0.000 0.990 356 D CA 1.378 55.414 54.000 0.062 0.000 0.839 356 D CB -0.335 40.505 40.800 0.067 0.000 0.948 356 D HN 0.521 nan 8.370 nan 0.000 0.460 357 H N 0.682 119.763 119.070 0.019 0.000 2.299 357 H HA -0.046 4.499 4.556 -0.019 0.000 0.302 357 H C 2.146 177.516 175.328 0.071 0.000 1.078 357 H CA 1.054 57.152 56.048 0.083 0.000 1.323 357 H CB -0.127 29.743 29.762 0.180 0.000 1.381 357 H HN -0.065 nan 8.280 nan 0.000 0.498 358 V N 1.453 121.466 119.914 0.165 0.000 2.287 358 V HA -0.297 3.811 4.120 -0.019 0.000 0.248 358 V C 2.898 179.045 176.094 0.088 0.000 1.053 358 V CA 1.793 64.130 62.300 0.061 0.000 1.027 358 V CB -0.539 31.204 31.823 -0.133 0.000 0.646 358 V HN 0.358 nan 8.190 nan 0.000 0.447 359 M N -0.395 119.260 119.600 0.091 0.000 2.108 359 M HA -0.191 4.278 4.480 -0.019 0.000 0.261 359 M C 2.201 178.566 176.300 0.108 0.000 1.066 359 M CA 1.773 57.150 55.300 0.129 0.000 1.107 359 M CB -1.296 31.379 32.600 0.125 0.000 1.356 359 M HN 0.543 nan 8.290 nan 0.000 0.406 360 E N -0.824 119.413 120.200 0.062 0.000 2.150 360 E HA -0.240 4.098 4.350 -0.019 0.000 0.193 360 E C 2.037 178.641 176.600 0.007 0.000 0.985 360 E CA 1.011 57.420 56.400 0.015 0.000 0.814 360 E CB -0.165 29.512 29.700 -0.038 0.000 0.752 360 E HN 0.491 nan 8.360 nan 0.000 0.466 361 Y N 1.312 121.562 120.300 -0.083 0.000 2.242 361 Y HA -0.184 4.354 4.550 -0.019 0.000 0.291 361 Y C 2.519 178.406 175.900 -0.022 0.000 1.137 361 Y CA 2.168 60.228 58.100 -0.067 0.000 1.181 361 Y CB -0.457 37.976 38.460 -0.045 0.000 0.989 361 Y HN 0.180 nan 8.280 nan 0.000 0.527 362 T N -2.556 112.112 114.554 0.190 0.000 3.051 362 T HA -0.113 4.225 4.350 -0.019 0.000 0.269 362 T C 1.539 176.292 174.700 0.087 0.000 1.127 362 T CA 1.411 63.608 62.100 0.161 0.000 1.107 362 T CB -0.242 68.778 68.868 0.252 0.000 0.898 362 T HN 0.333 nan 8.240 nan 0.000 0.517 363 K N 0.423 120.842 120.400 0.031 0.000 2.334 363 K HA 0.196 4.505 4.320 -0.019 0.000 0.195 363 K C 0.634 177.193 176.600 -0.068 0.000 1.045 363 K CA 0.052 56.339 56.287 -0.000 0.000 1.004 363 K CB 0.267 32.773 32.500 0.010 0.000 0.837 363 K HN 0.323 nan 8.250 nan 0.000 0.510 364 K N 2.221 122.529 120.400 -0.154 0.000 2.436 364 K HA 0.048 4.356 4.320 -0.019 0.000 0.275 364 K C -2.540 173.951 176.600 -0.182 0.000 0.999 364 K CA -1.426 54.735 56.287 -0.210 0.000 0.980 364 K CB 0.059 32.329 32.500 -0.383 0.000 0.919 364 K HN -0.158 nan 8.250 nan 0.000 0.484 365 P HA -0.087 nan 4.420 nan 0.000 0.264 365 P C -0.861 176.375 177.300 -0.107 0.000 1.183 365 P CA 0.447 63.489 63.100 -0.097 0.000 0.763 365 P CB 0.365 32.020 31.700 -0.074 0.000 0.807 366 E N 2.415 122.568 120.200 -0.078 0.000 2.232 366 E HA 0.085 4.423 4.350 -0.019 0.000 0.296 366 E C 0.622 177.192 176.600 -0.051 0.000 1.372 366 E CA -0.094 56.267 56.400 -0.067 0.000 1.527 366 E CB -0.296 29.371 29.700 -0.054 0.000 1.424 366 E HN 0.465 nan 8.360 nan 0.000 0.485 367 L N 0.958 122.151 121.223 -0.051 0.000 2.357 367 L HA 0.023 4.351 4.340 -0.019 0.000 0.211 367 L C 1.090 177.944 176.870 -0.026 0.000 1.075 367 L CA 0.291 55.109 54.840 -0.036 0.000 0.830 367 L CB 0.760 42.797 42.059 -0.036 0.000 0.996 367 L HN 0.161 nan 8.230 nan 0.000 0.467 368 V N 0.311 120.209 119.914 -0.027 0.000 1.959 368 V HA 0.203 4.311 4.120 -0.019 0.000 0.242 368 V C 0.056 176.151 176.094 0.002 0.000 1.613 368 V CA -0.421 61.874 62.300 -0.009 0.000 1.566 368 V CB -1.340 30.482 31.823 -0.002 0.000 1.547 368 V HN 0.177 nan 8.190 nan 0.000 0.503 369 R N 2.675 123.174 120.500 -0.002 0.000 2.308 369 R HA 0.538 4.866 4.340 -0.019 0.000 0.305 369 R C 0.490 176.795 176.300 0.009 0.000 1.053 369 R CA 0.231 56.332 56.100 0.002 0.000 0.957 369 R CB 1.653 31.948 30.300 -0.009 0.000 1.022 369 R HN 0.811 nan 8.270 nan 0.000 0.461 370 S N 3.019 118.730 115.700 0.019 0.000 2.638 370 S HA 0.637 5.095 4.470 -0.019 0.000 0.298 370 S C -2.162 172.448 174.600 0.017 0.000 1.111 370 S CA -1.267 56.945 58.200 0.020 0.000 1.027 370 S CB 1.533 64.752 63.200 0.032 0.000 1.064 370 S HN 0.420 nan 8.310 nan 0.000 0.525 371 P HA 0.219 nan 4.420 nan 0.000 0.276 371 P C -0.473 176.833 177.300 0.010 0.000 1.235 371 P CA -0.406 62.697 63.100 0.005 0.000 0.772 371 P CB 0.444 32.141 31.700 -0.004 0.000 0.871 372 M N 4.687 124.299 119.600 0.020 0.000 2.240 372 M HA 0.225 4.693 4.480 -0.019 0.000 0.317 372 M C -0.390 175.922 176.300 0.019 0.000 1.087 372 M CA 0.329 55.649 55.300 0.034 0.000 1.176 372 M CB 0.386 33.010 32.600 0.039 0.000 1.439 372 M HN 0.332 nan 8.290 nan 0.000 0.452 373 V N 1.351 121.284 119.914 0.032 0.000 3.160 373 V HA 0.800 4.908 4.120 -0.019 0.000 0.310 373 V C -2.750 173.368 176.094 0.041 0.000 1.181 373 V CA -2.133 60.176 62.300 0.015 0.000 1.047 373 V CB 1.046 32.849 31.823 -0.033 0.000 1.068 373 V HN 0.824 nan 8.190 nan 0.000 0.441 374 P HA 0.410 nan 4.420 nan 0.000 0.265 374 P C -1.013 176.319 177.300 0.055 0.000 1.193 374 P CA 0.388 63.508 63.100 0.034 0.000 0.765 374 P CB 0.211 31.926 31.700 0.024 0.000 0.823 375 L N 5.023 126.273 121.223 0.045 0.000 2.381 375 L HA 0.567 4.895 4.340 -0.019 0.000 0.268 375 L C -1.900 174.985 176.870 0.025 0.000 0.997 375 L CA -2.088 52.779 54.840 0.045 0.000 0.818 375 L CB 2.093 44.174 42.059 0.037 0.000 1.310 375 L HN 0.302 nan 8.230 nan 0.000 0.416 376 P HA 0.214 nan 4.420 nan 0.000 0.277 376 P C -0.948 176.358 177.300 0.010 0.000 1.271 376 P CA -0.725 62.384 63.100 0.015 0.000 0.795 376 P CB 0.887 32.596 31.700 0.014 0.000 1.101 377 M N 1.545 121.154 119.600 0.015 0.000 2.105 377 M HA 0.345 4.814 4.480 -0.019 0.000 0.350 377 M C -2.411 173.914 176.300 0.043 0.000 1.308 377 M CA -2.451 52.864 55.300 0.025 0.000 1.108 377 M CB -0.398 32.220 32.600 0.031 0.000 1.622 377 M HN 0.062 nan 8.290 nan 0.000 0.468 378 P HA -0.019 nan 4.420 nan 0.000 0.263 378 P C -1.199 176.201 177.300 0.165 0.000 1.175 378 P CA 0.416 63.575 63.100 0.098 0.000 0.761 378 P CB 0.188 31.945 31.700 0.095 0.000 0.794 379 K N 2.897 123.355 120.400 0.097 0.000 2.349 379 K HA 0.128 4.437 4.320 -0.019 0.000 0.288 379 K C 0.439 177.026 176.600 -0.023 0.000 1.058 379 K CA -0.411 55.891 56.287 0.026 0.000 0.953 379 K CB 0.646 33.114 32.500 -0.054 0.000 0.997 379 K HN 0.337 nan 8.250 nan 0.000 0.477 380 K N 4.449 124.751 120.400 -0.162 0.000 2.276 380 K HA 0.126 4.434 4.320 -0.019 0.000 0.283 380 K C -0.621 175.748 176.600 -0.385 0.000 1.044 380 K CA -0.381 55.552 56.287 -0.590 0.000 0.944 380 K CB 0.461 32.583 32.500 -0.630 0.000 1.012 380 K HN 0.500 nan 8.250 nan 0.000 0.472 381 L N 6.470 127.460 121.223 -0.388 0.000 2.302 381 L HA 0.316 4.645 4.340 -0.019 0.000 0.285 381 L C 0.543 177.169 176.870 -0.407 0.000 1.090 381 L CA -0.542 54.087 54.840 -0.353 0.000 0.866 381 L CB 0.404 42.276 42.059 -0.312 0.000 1.244 381 L HN 0.570 nan 8.230 nan 0.000 0.435 382 R N 2.010 122.292 120.500 -0.363 0.000 2.726 382 R HA 0.515 4.843 4.340 -0.019 0.000 0.272 382 R C -1.073 174.963 176.300 -0.441 0.000 1.097 382 R CA -0.136 55.808 56.100 -0.261 0.000 1.198 382 R CB 0.711 30.920 30.300 -0.151 0.000 1.114 382 R HN 0.206 nan 8.270 nan 0.000 0.550 383 F N -0.096 119.855 119.950 0.001 0.000 2.574 383 F HA 0.243 4.758 4.527 -0.019 0.000 0.313 383 F C -0.206 175.606 175.800 0.020 0.000 1.130 383 F CA -0.938 57.075 58.000 0.021 0.000 0.936 383 F CB 1.734 40.773 39.000 0.066 0.000 1.219 383 F HN 0.272 nan 8.300 nan 0.000 0.445 384 N N 4.657 123.483 118.700 0.210 0.000 2.415 384 N HA 0.254 4.983 4.740 -0.019 0.000 0.246 384 N C -0.732 174.857 175.510 0.131 0.000 1.078 384 N CA -0.159 52.965 53.050 0.124 0.000 0.942 384 N CB 1.080 39.610 38.487 0.072 0.000 1.140 384 N HN 0.313 nan 8.380 nan 0.000 0.501 385 I N 2.530 123.166 120.570 0.109 0.000 2.312 385 I HA 0.086 4.245 4.170 -0.019 0.000 0.291 385 I C 1.372 177.521 176.117 0.053 0.000 1.031 385 I CA -0.319 61.029 61.300 0.079 0.000 1.293 385 I CB -0.060 37.981 38.000 0.069 0.000 1.403 385 I HN 0.320 nan 8.210 nan 0.000 0.484 386 T N 4.158 118.739 114.554 0.045 0.000 2.912 386 T HA 0.424 4.762 4.350 -0.019 0.000 0.280 386 T C -1.856 172.859 174.700 0.025 0.000 0.989 386 T CA -1.770 60.349 62.100 0.032 0.000 0.995 386 T CB 1.543 70.429 68.868 0.029 0.000 1.077 386 T HN 0.235 nan 8.240 nan 0.000 0.531 387 P HA -0.062 nan 4.420 nan 0.000 0.218 387 P C 1.412 178.721 177.300 0.014 0.000 1.148 387 P CA 0.924 64.032 63.100 0.015 0.000 0.822 387 P CB 0.128 31.835 31.700 0.011 0.000 0.784 388 E N -0.276 119.933 120.200 0.016 0.000 2.072 388 E HA -0.146 4.193 4.350 -0.019 0.000 0.191 388 E C 1.880 178.493 176.600 0.022 0.000 0.985 388 E CA 0.940 57.350 56.400 0.017 0.000 0.801 388 E CB -0.461 29.250 29.700 0.018 0.000 0.750 388 E HN 0.144 nan 8.360 nan 0.000 0.452 389 I N 0.802 121.388 120.570 0.027 0.000 2.252 389 I HA -0.221 3.937 4.170 -0.019 0.000 0.245 389 I C 2.507 178.633 176.117 0.015 0.000 1.102 389 I CA 0.928 62.246 61.300 0.030 0.000 1.385 389 I CB -0.204 37.817 38.000 0.036 0.000 1.064 389 I HN 0.052 nan 8.210 nan 0.000 0.414 390 K N 1.778 122.186 120.400 0.013 0.000 2.063 390 K HA -0.251 4.058 4.320 -0.019 0.000 0.208 390 K C 1.750 178.349 176.600 -0.002 0.000 1.048 390 K CA 2.001 58.290 56.287 0.005 0.000 0.928 390 K CB -0.507 31.998 32.500 0.010 0.000 0.713 390 K HN 0.210 nan 8.250 nan 0.000 0.442 391 N N 0.445 119.146 118.700 0.003 0.000 2.120 391 N HA -0.142 4.587 4.740 -0.019 0.000 0.188 391 N C 1.145 176.653 175.510 -0.003 0.000 1.024 391 N CA 1.832 54.882 53.050 -0.001 0.000 0.852 391 N CB -0.214 38.275 38.487 0.003 0.000 1.003 391 N HN 0.237 nan 8.380 nan 0.000 0.424 392 D N 0.071 120.475 120.400 0.007 0.000 2.144 392 D HA -0.090 4.538 4.640 -0.019 0.000 0.199 392 D C 1.960 178.250 176.300 -0.016 0.000 0.984 392 D CA 0.745 54.754 54.000 0.014 0.000 0.834 392 D CB -0.155 40.676 40.800 0.052 0.000 0.955 392 D HN 0.429 nan 8.370 nan 0.000 0.465 393 I N 1.187 121.739 120.570 -0.030 0.000 2.226 393 I HA -0.208 3.950 4.170 -0.019 0.000 0.245 393 I C 2.275 178.352 176.117 -0.066 0.000 1.100 393 I CA 0.957 62.218 61.300 -0.065 0.000 1.374 393 I CB -0.084 37.878 38.000 -0.063 0.000 1.057 393 I HN -0.098 nan 8.210 nan 0.000 0.413 394 E N 0.924 121.098 120.200 -0.044 0.000 2.106 394 E HA -0.168 4.170 4.350 -0.019 0.000 0.192 394 E C 2.111 178.684 176.600 -0.045 0.000 0.984 394 E CA 0.922 57.296 56.400 -0.043 0.000 0.806 394 E CB -0.166 29.517 29.700 -0.029 0.000 0.750 394 E HN 0.375 nan 8.360 nan 0.000 0.458 395 K N 0.616 120.993 120.400 -0.037 0.000 2.097 395 K HA 0.012 4.320 4.320 -0.019 0.000 0.205 395 K C 2.048 178.617 176.600 -0.051 0.000 1.050 395 K CA 0.983 57.248 56.287 -0.036 0.000 0.938 395 K CB -0.394 32.094 32.500 -0.020 0.000 0.718 395 K HN 0.075 nan 8.250 nan 0.000 0.442 396 A N 1.880 124.659 122.820 -0.067 0.000 1.933 396 A HA -0.174 4.135 4.320 -0.019 0.000 0.218 396 A C 2.114 179.634 177.584 -0.106 0.000 1.175 396 A CA 1.522 53.498 52.037 -0.102 0.000 0.628 396 A CB -0.285 18.625 19.000 -0.150 0.000 0.814 396 A HN 0.263 nan 8.150 nan 0.000 0.444 397 K N -0.507 119.836 120.400 -0.096 0.000 2.026 397 K HA -0.198 4.110 4.320 -0.019 0.000 0.208 397 K C 2.361 178.913 176.600 -0.079 0.000 1.048 397 K CA 1.804 58.035 56.287 -0.093 0.000 0.929 397 K CB -0.249 32.200 32.500 -0.084 0.000 0.713 397 K HN 0.610 nan 8.250 nan 0.000 0.439 398 Q N 0.505 120.266 119.800 -0.065 0.000 2.061 398 Q HA -0.212 4.117 4.340 -0.019 0.000 0.204 398 Q C 2.013 177.979 176.000 -0.057 0.000 0.984 398 Q CA 1.799 57.569 55.803 -0.054 0.000 0.846 398 Q CB -0.240 28.472 28.738 -0.044 0.000 0.902 398 Q HN 0.294 nan 8.270 nan 0.000 0.421 399 N N 0.321 118.985 118.700 -0.059 0.000 2.120 399 N HA -0.184 4.544 4.740 -0.019 0.000 0.188 399 N C 1.563 177.031 175.510 -0.069 0.000 1.024 399 N CA 0.750 53.767 53.050 -0.055 0.000 0.852 399 N CB -0.117 38.341 38.487 -0.049 0.000 1.003 399 N HN 0.136 nan 8.380 nan 0.000 0.424 400 L N 0.526 121.691 121.223 -0.097 0.000 2.056 400 L HA -0.052 4.276 4.340 -0.019 0.000 0.207 400 L C 2.346 179.142 176.870 -0.124 0.000 1.078 400 L CA 2.038 56.801 54.840 -0.128 0.000 0.749 400 L CB -1.229 40.745 42.059 -0.142 0.000 0.901 400 L HN 0.403 nan 8.230 nan 0.000 0.433 401 S N -0.763 114.881 115.700 -0.094 0.000 2.383 401 S HA -0.224 4.235 4.470 -0.019 0.000 0.229 401 S C 2.090 176.647 174.600 -0.071 0.000 1.030 401 S CA 1.671 59.823 58.200 -0.080 0.000 1.002 401 S CB -1.064 62.101 63.200 -0.059 0.000 0.829 401 S HN 0.514 nan 8.310 nan 0.000 0.467 402 I N 1.187 121.721 120.570 -0.060 0.000 2.179 402 I HA -0.187 3.971 4.170 -0.019 0.000 0.242 402 I C 2.794 178.888 176.117 -0.039 0.000 1.088 402 I CA 1.626 62.901 61.300 -0.042 0.000 1.357 402 I CB -0.391 37.588 38.000 -0.035 0.000 1.051 402 I HN 0.315 nan 8.210 nan 0.000 0.409 403 M N 0.183 119.752 119.600 -0.051 0.000 2.086 403 M HA -0.216 4.253 4.480 -0.019 0.000 0.261 403 M C 2.344 178.583 176.300 -0.101 0.000 1.067 403 M CA 2.031 57.308 55.300 -0.038 0.000 1.116 403 M CB -0.389 32.156 32.600 -0.092 0.000 1.348 403 M HN 0.155 nan 8.290 nan 0.000 0.407 404 I N -0.213 120.228 120.570 -0.215 0.000 2.226 404 I HA -0.295 3.864 4.170 -0.019 0.000 0.245 404 I C 2.412 178.445 176.117 -0.139 0.000 1.100 404 I CA 1.393 62.493 61.300 -0.333 0.000 1.374 404 I CB -0.464 37.266 38.000 -0.450 0.000 1.057 404 I HN 0.388 nan 8.210 nan 0.000 0.413 405 Q N -0.051 119.705 119.800 -0.074 0.000 2.226 405 Q HA -0.250 4.079 4.340 -0.019 0.000 0.204 405 Q C 1.333 177.339 176.000 0.009 0.000 0.975 405 Q CA 1.463 57.252 55.803 -0.022 0.000 0.866 405 Q CB -0.100 28.630 28.738 -0.012 0.000 0.915 405 Q HN 0.411 nan 8.270 nan 0.000 0.440 406 D N -0.522 119.895 120.400 0.029 0.000 2.348 406 D HA -0.006 4.623 4.640 -0.019 0.000 0.211 406 D C -0.446 175.965 176.300 0.184 0.000 0.998 406 D CA -0.051 54.006 54.000 0.096 0.000 0.873 406 D CB 0.372 41.225 40.800 0.088 0.000 0.925 406 D HN -0.022 nan 8.370 nan 0.000 0.524 407 L N 1.015 122.312 121.223 0.123 0.000 2.290 407 L HA 0.330 4.659 4.340 -0.019 0.000 0.284 407 L C -0.892 175.997 176.870 0.031 0.000 1.078 407 L CA -0.188 54.718 54.840 0.111 0.000 0.815 407 L CB 1.366 43.469 42.059 0.075 0.000 1.162 407 L HN -0.190 nan 8.230 nan 0.000 0.435 408 D N 5.608 126.004 120.400 -0.007 0.000 2.414 408 D HA 0.392 5.020 4.640 -0.019 0.000 0.232 408 D C -0.880 175.392 176.300 -0.046 0.000 1.070 408 D CA -0.099 53.889 54.000 -0.021 0.000 0.839 408 D CB 0.529 41.324 40.800 -0.008 0.000 1.079 408 D HN 0.453 nan 8.370 nan 0.000 0.521 409 I N 3.027 123.560 120.570 -0.062 0.000 2.441 409 I HA 0.430 4.589 4.170 -0.019 0.000 0.295 409 I C -0.429 175.641 176.117 -0.079 0.000 0.994 409 I CA -1.059 60.186 61.300 -0.093 0.000 1.144 409 I CB 1.816 39.717 38.000 -0.164 0.000 1.314 409 I HN 0.305 nan 8.210 nan 0.000 0.445 410 M N 7.830 127.391 119.600 -0.065 0.000 2.165 410 M HA 0.479 4.947 4.480 -0.019 0.000 0.283 410 M C -1.561 174.726 176.300 -0.022 0.000 0.978 410 M CA -0.486 54.789 55.300 -0.042 0.000 0.948 410 M CB 1.540 34.113 32.600 -0.045 0.000 1.599 410 M HN 0.320 nan 8.290 nan 0.000 0.450 411 M N 5.341 124.934 119.600 -0.012 0.000 2.209 411 M HA 0.528 4.996 4.480 -0.019 0.000 0.355 411 M C -1.304 175.057 176.300 0.102 0.000 1.171 411 M CA -0.679 54.642 55.300 0.034 0.000 1.069 411 M CB 0.940 33.535 32.600 -0.008 0.000 1.622 411 M HN 0.791 nan 8.290 nan 0.000 0.459 412 L N 3.344 124.678 121.223 0.184 0.000 2.376 412 L HA 0.529 4.857 4.340 -0.019 0.000 0.275 412 L C -0.685 176.386 176.870 0.335 0.000 0.987 412 L CA 0.203 55.191 54.840 0.247 0.000 0.828 412 L CB 1.885 44.091 42.059 0.244 0.000 1.249 412 L HN 0.673 nan 8.230 nan 0.000 0.409 413 T N 5.973 120.690 114.554 0.271 0.000 2.832 413 T HA 0.286 4.625 4.350 -0.019 0.000 0.313 413 T C -0.438 174.447 174.700 0.308 0.000 1.035 413 T CA 0.180 62.443 62.100 0.271 0.000 0.950 413 T CB -0.375 68.587 68.868 0.158 0.000 0.984 413 T HN 0.380 nan 8.240 nan 0.000 0.486 414 F N 6.450 126.542 119.950 0.237 0.000 2.509 414 F HA 0.151 4.667 4.527 -0.017 0.000 0.350 414 F C 1.857 177.655 175.800 -0.005 0.000 1.220 414 F CA -0.754 57.319 58.000 0.122 0.000 1.151 414 F CB 0.086 39.233 39.000 0.245 0.000 1.379 414 F HN 0.673 nan 8.300 nan 0.000 0.610 415 H N 3.216 122.064 119.070 -0.370 0.000 2.529 415 H HA -0.066 4.480 4.556 -0.016 0.000 0.277 415 H C 1.316 176.435 175.328 -0.348 0.000 0.999 415 H CA 1.045 56.919 56.048 -0.289 0.000 1.256 415 H CB -0.476 29.093 29.762 -0.323 0.000 1.402 415 H HN 0.606 nan 8.280 nan 0.000 0.566 416 H N 1.588 119.982 119.070 -1.127 0.000 2.321 416 H HA -0.086 4.459 4.556 -0.019 0.000 0.295 416 H C 0.545 175.846 175.328 -0.044 0.000 1.102 416 H CA 1.917 57.526 56.048 -0.733 0.000 1.266 416 H CB -0.228 28.883 29.762 -1.085 0.000 1.363 416 H HN 0.508 nan 8.280 nan 0.000 0.492 417 F N -3.451 116.590 119.950 0.152 0.000 2.944 417 F HA 0.570 5.085 4.527 -0.019 0.000 0.324 417 F C 0.055 176.066 175.800 0.352 0.000 1.151 417 F CA -0.552 57.601 58.000 0.255 0.000 0.883 417 F CB 0.768 39.900 39.000 0.219 0.000 1.341 417 F HN 0.035 nan 8.300 nan 0.000 0.456 418 G N 0.423 109.547 108.800 0.539 0.000 3.340 418 G HA2 0.324 4.273 3.960 -0.019 0.000 0.176 418 G HA3 0.324 4.273 3.960 -0.019 0.000 0.176 418 G C -0.248 174.844 174.900 0.321 0.000 1.103 418 G CA -0.663 44.626 45.100 0.315 0.000 0.779 418 G HN 0.655 nan 8.290 nan 0.000 0.673 419 K N 0.691 121.183 120.400 0.154 0.000 2.362 419 K HA -0.039 4.270 4.320 -0.019 0.000 0.200 419 K C 2.040 178.675 176.600 0.059 0.000 1.046 419 K CA 1.448 57.788 56.287 0.089 0.000 0.952 419 K CB -0.009 32.521 32.500 0.051 0.000 0.753 419 K HN 0.509 nan 8.250 nan 0.000 0.466 420 D N 1.117 121.581 120.400 0.106 0.000 2.106 420 D HA -0.254 4.375 4.640 -0.019 0.000 0.191 420 D C 1.754 178.047 176.300 -0.010 0.000 0.997 420 D CA 1.223 55.261 54.000 0.063 0.000 0.834 420 D CB -0.736 40.131 40.800 0.111 0.000 0.956 420 D HN 0.175 nan 8.370 nan 0.000 0.448 421 F N 1.974 121.833 119.950 -0.152 0.000 2.075 421 F HA 0.032 4.548 4.527 -0.019 0.000 0.297 421 F C -0.898 174.676 175.800 -0.378 0.000 1.113 421 F CA 0.709 58.493 58.000 -0.360 0.000 1.218 421 F CB -1.285 37.225 39.000 -0.816 0.000 0.984 421 F HN -0.028 nan 8.300 nan 0.000 0.472 422 P HA -0.208 nan 4.420 nan 0.000 0.216 422 P C 1.324 178.384 177.300 -0.400 0.000 1.153 422 P CA 2.361 65.075 63.100 -0.644 0.000 0.858 422 P CB -0.134 31.311 31.700 -0.426 0.000 0.789 423 K N -0.247 120.003 120.400 -0.251 0.000 2.057 423 K HA -0.101 4.207 4.320 -0.019 0.000 0.207 423 K C 2.297 178.779 176.600 -0.196 0.000 1.049 423 K CA 1.927 58.117 56.287 -0.161 0.000 0.931 423 K CB -0.621 31.829 32.500 -0.084 0.000 0.714 423 K HN 0.227 nan 8.250 nan 0.000 0.440 424 S N 1.133 116.676 115.700 -0.262 0.000 2.419 424 S HA -0.107 4.352 4.470 -0.019 0.000 0.233 424 S C 1.490 175.920 174.600 -0.283 0.000 1.016 424 S CA 0.967 59.025 58.200 -0.235 0.000 0.974 424 S CB -0.041 63.028 63.200 -0.219 0.000 0.786 424 S HN 0.174 nan 8.310 nan 0.000 0.492 425 E N 0.888 120.829 120.200 -0.431 0.000 2.465 425 E HA 0.134 4.472 4.350 -0.019 0.000 0.191 425 E C -0.118 176.368 176.600 -0.190 0.000 1.053 425 E CA -0.009 56.182 56.400 -0.348 0.000 0.869 425 E CB 0.026 29.418 29.700 -0.514 0.000 0.977 425 E HN 0.356 nan 8.360 nan 0.000 0.483 426 K N -0.138 120.166 120.400 -0.159 0.000 3.117 426 K HA -0.183 4.125 4.320 -0.019 0.000 0.269 426 K C -0.298 176.264 176.600 -0.063 0.000 1.098 426 K CA 0.519 56.754 56.287 -0.088 0.000 0.785 426 K CB -2.199 30.265 32.500 -0.059 0.000 1.242 426 K HN 0.223 nan 8.250 nan 0.000 0.491 427 L N 0.094 121.267 121.223 -0.084 0.000 2.362 427 L HA 0.326 4.655 4.340 -0.019 0.000 0.271 427 L C 0.770 177.645 176.870 0.008 0.000 1.002 427 L CA -0.849 53.982 54.840 -0.015 0.000 0.818 427 L CB 1.987 44.066 42.059 0.033 0.000 1.298 427 L HN 0.074 nan 8.230 nan 0.000 0.420 428 S N 2.587 118.325 115.700 0.063 0.000 2.498 428 S HA 0.149 4.607 4.470 -0.019 0.000 0.281 428 S C -1.667 173.007 174.600 0.123 0.000 1.265 428 S CA -0.965 57.286 58.200 0.084 0.000 1.071 428 S CB 0.843 64.111 63.200 0.113 0.000 0.894 428 S HN 0.365 nan 8.310 nan 0.000 0.491 429 P HA -0.100 nan 4.420 nan 0.000 0.215 429 P C 0.963 178.377 177.300 0.190 0.000 1.153 429 P CA 1.134 64.306 63.100 0.120 0.000 0.853 429 P CB 0.096 31.845 31.700 0.082 0.000 0.788 430 D N -0.815 119.691 120.400 0.176 0.000 2.097 430 D HA -0.134 4.494 4.640 -0.019 0.000 0.197 430 D C 1.914 178.273 176.300 0.098 0.000 0.984 430 D CA 1.401 55.527 54.000 0.209 0.000 0.826 430 D CB -0.633 40.307 40.800 0.232 0.000 0.973 430 D HN -0.042 nan 8.370 nan 0.000 0.460 431 A N -0.504 122.360 122.820 0.075 0.000 1.933 431 A HA -0.108 4.201 4.320 -0.019 0.000 0.218 431 A C 2.148 179.667 177.584 -0.108 0.000 1.175 431 A CA 1.119 53.070 52.037 -0.144 0.000 0.628 431 A CB -1.169 17.892 19.000 0.103 0.000 0.814 431 A HN 0.433 nan 8.150 nan 0.000 0.444 432 F N 0.589 120.496 119.950 -0.071 0.000 2.134 432 F HA -0.154 4.361 4.527 -0.020 0.000 0.299 432 F C 1.948 177.726 175.800 -0.038 0.000 1.097 432 F CA 1.792 59.774 58.000 -0.030 0.000 1.264 432 F CB -0.174 38.859 39.000 0.054 0.000 1.001 432 F HN 0.182 nan 8.300 nan 0.000 0.479 433 I N -0.192 120.501 120.570 0.206 0.000 2.252 433 I HA -0.272 3.886 4.170 -0.019 0.000 0.245 433 I C 2.376 178.411 176.117 -0.137 0.000 1.102 433 I CA 0.885 62.199 61.300 0.023 0.000 1.385 433 I CB -0.551 37.383 38.000 -0.110 0.000 1.064 433 I HN 0.183 nan 8.210 nan 0.000 0.414 434 Q N 0.252 119.945 119.800 -0.178 0.000 2.084 434 Q HA -0.128 4.200 4.340 -0.019 0.000 0.202 434 Q C 2.515 178.413 176.000 -0.170 0.000 0.978 434 Q CA 1.348 57.027 55.803 -0.206 0.000 0.844 434 Q CB -0.418 28.046 28.738 -0.457 0.000 0.898 434 Q HN 0.392 nan 8.270 nan 0.000 0.426 435 V N 1.124 120.910 119.914 -0.214 0.000 2.358 435 V HA -0.223 3.885 4.120 -0.019 0.000 0.246 435 V C 2.380 178.449 176.094 -0.041 0.000 1.047 435 V CA 1.621 63.851 62.300 -0.118 0.000 1.035 435 V CB -0.996 30.691 31.823 -0.227 0.000 0.658 435 V HN 0.308 nan 8.190 nan 0.000 0.452 436 A N -0.060 122.673 122.820 -0.145 0.000 1.933 436 A HA -0.208 4.101 4.320 -0.019 0.000 0.218 436 A C 2.155 179.720 177.584 -0.032 0.000 1.175 436 A CA 2.106 54.089 52.037 -0.090 0.000 0.628 436 A CB -0.554 18.357 19.000 -0.147 0.000 0.814 436 A HN 0.465 nan 8.150 nan 0.000 0.444 437 L N -0.564 120.625 121.223 -0.057 0.000 2.056 437 L HA -0.159 4.170 4.340 -0.019 0.000 0.207 437 L C 2.304 179.220 176.870 0.075 0.000 1.078 437 L CA 2.103 56.929 54.840 -0.023 0.000 0.749 437 L CB -0.700 41.336 42.059 -0.040 0.000 0.901 437 L HN 0.353 nan 8.230 nan 0.000 0.433 438 Q N -0.563 119.287 119.800 0.082 0.000 2.124 438 Q HA -0.191 4.137 4.340 -0.019 0.000 0.202 438 Q C 2.277 178.396 176.000 0.199 0.000 0.977 438 Q CA 1.783 57.674 55.803 0.146 0.000 0.850 438 Q CB -0.685 28.127 28.738 0.124 0.000 0.901 438 Q HN 0.512 nan 8.270 nan 0.000 0.429 439 L N 0.640 121.950 121.223 0.146 0.000 2.056 439 L HA -0.067 4.261 4.340 -0.019 0.000 0.207 439 L C 2.137 179.107 176.870 0.167 0.000 1.078 439 L CA 2.077 56.983 54.840 0.109 0.000 0.749 439 L CB -0.857 41.242 42.059 0.068 0.000 0.901 439 L HN 0.112 nan 8.230 nan 0.000 0.433 440 A N -1.374 121.536 122.820 0.150 0.000 1.902 440 A HA -0.291 4.018 4.320 -0.019 0.000 0.217 440 A C 2.323 179.993 177.584 0.144 0.000 1.181 440 A CA 1.883 54.021 52.037 0.167 0.000 0.623 440 A CB -1.257 17.804 19.000 0.101 0.000 0.818 440 A HN 0.626 nan 8.150 nan 0.000 0.443 441 Y N -1.560 118.792 120.300 0.086 0.000 2.145 441 Y HA -0.268 4.270 4.550 -0.019 0.000 0.286 441 Y C 2.280 178.301 175.900 0.201 0.000 1.145 441 Y CA 2.221 60.414 58.100 0.155 0.000 1.148 441 Y CB -0.515 38.045 38.460 0.167 0.000 0.981 441 Y HN 0.431 nan 8.280 nan 0.000 0.507 442 Y N 0.884 121.323 120.300 0.231 0.000 2.181 442 Y HA -0.228 4.310 4.550 -0.019 0.000 0.288 442 Y C 2.450 178.350 175.900 -0.000 0.000 1.146 442 Y CA 1.898 60.078 58.100 0.134 0.000 1.164 442 Y CB -0.340 38.181 38.460 0.103 0.000 0.982 442 Y HN 0.008 nan 8.280 nan 0.000 0.515 443 R N -0.287 120.266 120.500 0.088 0.000 2.152 443 R HA -0.137 4.191 4.340 -0.019 0.000 0.232 443 R C 2.063 178.232 176.300 -0.218 0.000 1.117 443 R CA 1.796 57.910 56.100 0.023 0.000 0.981 443 R CB -0.272 30.170 30.300 0.237 0.000 0.870 443 R HN 0.435 nan 8.270 nan 0.000 0.451 444 I N -1.547 118.730 120.570 -0.488 0.000 2.494 444 I HA -0.153 4.005 4.170 -0.019 0.000 0.250 444 I C 1.101 176.675 176.117 -0.906 0.000 1.112 444 I CA 1.048 61.814 61.300 -0.889 0.000 1.438 444 I CB 0.073 37.330 38.000 -1.238 0.000 1.111 444 I HN 0.098 nan 8.210 nan 0.000 0.431 445 Y N 0.462 120.455 120.300 -0.512 0.000 2.449 445 Y HA 0.330 4.868 4.550 -0.019 0.000 0.254 445 Y C 1.802 177.491 175.900 -0.351 0.000 1.140 445 Y CA 0.329 58.180 58.100 -0.414 0.000 1.272 445 Y CB 0.340 38.496 38.460 -0.507 0.000 1.114 445 Y HN 0.249 nan 8.280 nan 0.000 0.525 446 G N 1.020 109.560 108.800 -0.434 0.000 2.155 446 G HA2 -0.266 3.683 3.960 -0.019 0.000 0.257 446 G HA3 -0.266 3.683 3.960 -0.019 0.000 0.257 446 G C -0.021 174.543 174.900 -0.559 0.000 0.983 446 G CA 0.615 45.331 45.100 -0.639 0.000 0.676 446 G HN 0.498 nan 8.290 nan 0.000 0.528 447 Q N -1.949 117.705 119.800 -0.243 0.000 2.633 447 Q HA 0.758 5.087 4.340 -0.019 0.000 0.289 447 Q C -0.348 175.937 176.000 0.474 0.000 0.940 447 Q CA -0.518 55.414 55.803 0.215 0.000 0.785 447 Q CB 0.714 29.551 28.738 0.165 0.000 1.467 447 Q HN 1.381 nan 8.270 nan 0.000 0.401 448 A N 0.434 123.518 122.820 0.439 0.000 2.272 448 A HA 0.818 5.126 4.320 -0.019 0.000 0.275 448 A C 0.129 177.832 177.584 0.198 0.000 1.096 448 A CA 0.158 52.399 52.037 0.339 0.000 0.822 448 A CB 0.478 19.609 19.000 0.219 0.000 1.088 448 A HN 1.197 nan 8.150 nan 0.000 0.495 449 C N -1.734 117.551 119.300 -0.023 0.000 2.994 449 C HA 0.835 5.284 4.460 -0.019 0.000 0.305 449 C C 0.374 175.342 174.990 -0.037 0.000 1.251 449 C CA -0.518 58.443 59.018 -0.096 0.000 1.478 449 C CB 0.633 28.133 27.740 -0.400 0.000 1.922 449 C HN 1.814 nan 8.230 nan 0.000 0.472 450 A N 2.265 125.111 122.820 0.044 0.000 2.561 450 A HA 0.495 4.804 4.320 -0.019 0.000 0.251 450 A C 0.445 178.199 177.584 0.283 0.000 1.062 450 A CA 0.854 52.978 52.037 0.145 0.000 0.761 450 A CB -0.511 18.485 19.000 -0.007 0.000 0.986 450 A HN 1.042 nan 8.150 nan 0.000 0.510 451 T N 2.584 117.335 114.554 0.328 0.000 2.824 451 T HA 0.488 4.826 4.350 -0.019 0.000 0.282 451 T C -1.034 173.775 174.700 0.181 0.000 0.993 451 T CA -0.049 62.199 62.100 0.247 0.000 0.967 451 T CB 0.909 69.833 68.868 0.093 0.000 0.960 451 T HN 0.517 nan 8.240 nan 0.000 0.441 452 Y N 2.240 122.419 120.300 -0.200 0.000 2.352 452 Y HA 0.576 5.115 4.550 -0.019 0.000 0.339 452 Y C -0.149 175.597 175.900 -0.256 0.000 0.992 452 Y CA -0.737 57.008 58.100 -0.591 0.000 1.100 452 Y CB 1.131 38.798 38.460 -1.322 0.000 1.192 452 Y HN 0.666 nan 8.280 nan 0.000 0.458 453 E N 4.113 124.012 120.200 -0.502 0.000 2.241 453 E HA 0.366 4.704 4.350 -0.019 0.000 0.263 453 E C -1.348 174.987 176.600 -0.440 0.000 0.882 453 E CA -0.761 55.513 56.400 -0.211 0.000 0.769 453 E CB 1.342 31.009 29.700 -0.055 0.000 1.185 453 E HN 0.684 nan 8.360 nan 0.000 0.415 454 S N 2.107 117.727 115.700 -0.133 0.000 2.537 454 S HA 0.398 4.856 4.470 -0.019 0.000 0.286 454 S C -0.326 174.198 174.600 -0.127 0.000 1.299 454 S CA -0.063 58.079 58.200 -0.098 0.000 1.067 454 S CB 1.039 64.293 63.200 0.090 0.000 0.864 454 S HN 0.557 nan 8.310 nan 0.000 0.494 455 A N 2.708 125.432 122.820 -0.159 0.000 2.343 455 A HA 0.653 4.962 4.320 -0.019 0.000 0.308 455 A C 0.041 177.583 177.584 -0.069 0.000 1.092 455 A CA -0.669 51.303 52.037 -0.109 0.000 0.751 455 A CB 1.304 20.219 19.000 -0.142 0.000 1.203 455 A HN 0.641 nan 8.150 nan 0.000 0.452 456 S N 1.893 117.577 115.700 -0.027 0.000 2.528 456 S HA 0.393 4.852 4.470 -0.019 0.000 0.277 456 S C 0.345 174.951 174.600 0.012 0.000 1.297 456 S CA -0.397 57.799 58.200 -0.008 0.000 1.052 456 S CB 0.102 63.306 63.200 0.007 0.000 0.917 456 S HN 0.594 nan 8.310 nan 0.000 0.492 457 L N 5.617 126.853 121.223 0.022 0.000 2.872 457 L HA 0.300 4.629 4.340 -0.019 0.000 0.245 457 L C 1.713 178.654 176.870 0.117 0.000 1.211 457 L CA 0.284 55.194 54.840 0.117 0.000 1.013 457 L CB -0.541 41.568 42.059 0.084 0.000 1.326 457 L HN 0.742 nan 8.230 nan 0.000 0.525 458 R N 0.499 121.021 120.500 0.038 0.000 2.341 458 R HA -0.116 4.213 4.340 -0.019 0.000 0.213 458 R C 2.056 178.335 176.300 -0.036 0.000 1.082 458 R CA 0.857 56.970 56.100 0.021 0.000 1.017 458 R CB -0.074 30.240 30.300 0.024 0.000 0.860 458 R HN 0.474 nan 8.270 nan 0.000 0.473 459 M N -1.694 117.815 119.600 -0.152 0.000 2.619 459 M HA 0.129 4.597 4.480 -0.019 0.000 0.251 459 M C -0.416 175.581 176.300 -0.504 0.000 1.106 459 M CA 1.091 56.183 55.300 -0.347 0.000 1.086 459 M CB 0.286 32.595 32.600 -0.485 0.000 1.465 459 M HN -0.235 nan 8.290 nan 0.000 0.506 460 F N 0.410 120.362 119.950 0.003 0.000 2.458 460 F HA 0.366 4.881 4.527 -0.019 0.000 0.330 460 F C 0.725 176.537 175.800 0.020 0.000 1.082 460 F CA -1.202 56.803 58.000 0.008 0.000 0.995 460 F CB 0.563 39.559 39.000 -0.008 0.000 1.170 460 F HN 0.019 nan 8.300 nan 0.000 0.478 461 H N 4.233 123.369 119.070 0.110 0.000 3.157 461 H HA 0.017 4.562 4.556 -0.019 0.000 0.299 461 H C 0.770 176.113 175.328 0.026 0.000 0.961 461 H CA 0.551 56.609 56.048 0.017 0.000 1.428 461 H CB 0.323 30.078 29.762 -0.011 0.000 1.459 461 H HN 0.871 nan 8.280 nan 0.000 0.566 462 L N 2.877 123.947 121.223 -0.256 0.000 4.625 462 L HA -0.237 4.091 4.340 -0.019 0.000 0.428 462 L C 1.075 177.878 176.870 -0.112 0.000 1.129 462 L CA 0.628 55.313 54.840 -0.258 0.000 0.978 462 L CB -1.746 40.033 42.059 -0.467 0.000 2.043 462 L HN 0.808 nan 8.230 nan 0.000 0.847 463 G N -0.039 108.745 108.800 -0.028 0.000 2.353 463 G HA2 0.298 4.246 3.960 -0.019 0.000 0.239 463 G HA3 0.298 4.246 3.960 -0.019 0.000 0.239 463 G C 0.800 175.687 174.900 -0.021 0.000 1.295 463 G CA -0.208 44.889 45.100 -0.005 0.000 0.884 463 G HN 0.128 nan 8.290 nan 0.000 0.537 464 R N 0.565 121.022 120.500 -0.071 0.000 1.792 464 R HA 0.366 4.694 4.340 -0.019 0.000 0.139 464 R C 1.033 177.283 176.300 -0.084 0.000 2.091 464 R CA 0.967 57.043 56.100 -0.040 0.000 1.697 464 R CB -0.662 29.640 30.300 0.002 0.000 1.340 464 R HN 0.698 nan 8.270 nan 0.000 0.481 465 T N -1.195 113.222 114.554 -0.230 0.000 2.864 465 T HA 0.571 4.910 4.350 -0.019 0.000 0.299 465 T C -1.012 173.453 174.700 -0.392 0.000 1.166 465 T CA -0.800 61.162 62.100 -0.230 0.000 1.007 465 T CB 2.882 71.682 68.868 -0.114 0.000 1.219 465 T HN 0.081 nan 8.240 nan 0.000 0.506 466 D N -0.726 119.499 120.400 -0.292 0.000 2.636 466 D HA 0.550 5.178 4.640 -0.019 0.000 0.275 466 D C -1.029 175.054 176.300 -0.361 0.000 1.130 466 D CA -0.265 53.548 54.000 -0.311 0.000 1.031 466 D CB 2.572 43.257 40.800 -0.190 0.000 1.451 466 D HN 0.672 nan 8.370 nan 0.000 0.505 467 T N 1.012 115.331 114.554 -0.392 0.000 2.795 467 T HA 0.546 4.885 4.350 -0.019 0.000 0.282 467 T C 0.173 174.561 174.700 -0.521 0.000 0.980 467 T CA -0.386 61.337 62.100 -0.630 0.000 1.012 467 T CB 0.593 69.127 68.868 -0.557 0.000 0.936 467 T HN 0.165 nan 8.240 nan 0.000 0.457 468 I N 3.358 123.532 120.570 -0.660 0.000 2.330 468 I HA 0.343 4.501 4.170 -0.019 0.000 0.289 468 I C 0.455 176.095 176.117 -0.795 0.000 1.001 468 I CA -0.669 60.152 61.300 -0.798 0.000 1.193 468 I CB 1.119 38.759 38.000 -0.599 0.000 1.345 468 I HN 0.333 nan 8.210 nan 0.000 0.461 469 R N 4.300 124.205 120.500 -0.992 0.000 2.204 469 R HA 0.245 4.574 4.340 -0.019 0.000 0.341 469 R C 0.865 176.992 176.300 -0.289 0.000 1.035 469 R CA -0.202 55.666 56.100 -0.388 0.000 0.887 469 R CB 1.005 31.305 30.300 -0.001 0.000 1.114 469 R HN 0.626 nan 8.270 nan 0.000 0.473 470 S N 1.719 117.375 115.700 -0.075 0.000 2.428 470 S HA -0.066 4.393 4.470 -0.019 0.000 0.230 470 S C 0.969 175.647 174.600 0.130 0.000 1.014 470 S CA 0.577 58.846 58.200 0.115 0.000 0.957 470 S CB 0.266 63.550 63.200 0.138 0.000 0.784 470 S HN 0.687 nan 8.310 nan 0.000 0.499 471 A N 2.454 125.343 122.820 0.115 0.000 2.350 471 A HA 0.584 4.892 4.320 -0.019 0.000 0.293 471 A C 0.535 178.217 177.584 0.163 0.000 1.231 471 A CA -0.477 51.638 52.037 0.129 0.000 0.883 471 A CB 0.067 19.137 19.000 0.117 0.000 1.133 471 A HN 0.383 nan 8.150 nan 0.000 0.533 472 S N 1.884 117.679 115.700 0.159 0.000 2.806 472 S HA 0.605 5.063 4.470 -0.019 0.000 0.306 472 S C 0.783 175.458 174.600 0.125 0.000 1.167 472 S CA -0.582 57.722 58.200 0.175 0.000 0.847 472 S CB 0.374 63.699 63.200 0.209 0.000 1.216 472 S HN 0.393 nan 8.310 nan 0.000 0.532 473 I N 1.079 121.716 120.570 0.112 0.000 2.226 473 I HA -0.149 4.009 4.170 -0.019 0.000 0.245 473 I C 1.683 177.838 176.117 0.064 0.000 1.100 473 I CA 1.442 62.781 61.300 0.064 0.000 1.374 473 I CB -0.396 37.632 38.000 0.046 0.000 1.057 473 I HN 0.640 nan 8.210 nan 0.000 0.413 474 D N 0.392 120.845 120.400 0.087 0.000 2.149 474 D HA -0.126 4.503 4.640 -0.019 0.000 0.201 474 D C 2.386 178.752 176.300 0.111 0.000 0.972 474 D CA 1.757 55.809 54.000 0.086 0.000 0.835 474 D CB -0.122 40.728 40.800 0.084 0.000 0.966 474 D HN 0.364 nan 8.370 nan 0.000 0.476 475 S N 0.876 116.650 115.700 0.123 0.000 2.368 475 S HA -0.137 4.322 4.470 -0.019 0.000 0.224 475 S C 2.079 176.745 174.600 0.111 0.000 1.029 475 S CA 0.483 58.775 58.200 0.153 0.000 0.988 475 S CB -0.507 62.777 63.200 0.141 0.000 0.838 475 S HN 0.151 nan 8.310 nan 0.000 0.462 476 L N 2.260 123.513 121.223 0.050 0.000 2.046 476 L HA 0.215 4.543 4.340 -0.019 0.000 0.208 476 L C 2.707 179.520 176.870 -0.095 0.000 1.077 476 L CA 1.764 56.578 54.840 -0.043 0.000 0.747 476 L CB -1.333 40.724 42.059 -0.003 0.000 0.896 476 L HN 0.373 nan 8.230 nan 0.000 0.432 477 A N -0.984 121.828 122.820 -0.013 0.000 1.933 477 A HA -0.252 4.057 4.320 -0.019 0.000 0.218 477 A C 2.227 179.813 177.584 0.004 0.000 1.175 477 A CA 1.832 53.862 52.037 -0.012 0.000 0.628 477 A CB -1.104 17.911 19.000 0.026 0.000 0.814 477 A HN 0.582 nan 8.150 nan 0.000 0.444 478 F N 1.294 121.191 119.950 -0.088 0.000 2.128 478 F HA -0.125 4.391 4.527 -0.020 0.000 0.295 478 F C 2.280 178.005 175.800 -0.125 0.000 1.100 478 F CA 1.923 59.872 58.000 -0.085 0.000 1.260 478 F CB -0.634 38.327 39.000 -0.064 0.000 1.009 478 F HN 0.117 nan 8.300 nan 0.000 0.476 479 V N -1.061 118.531 119.914 -0.536 0.000 2.490 479 V HA -0.218 3.890 4.120 -0.019 0.000 0.250 479 V C 2.221 177.900 176.094 -0.693 0.000 1.061 479 V CA 2.096 63.962 62.300 -0.723 0.000 1.064 479 V CB -1.092 30.403 31.823 -0.547 0.000 0.670 479 V HN 0.354 nan 8.190 nan 0.000 0.461 480 K N 1.115 121.159 120.400 -0.593 0.000 2.044 480 K HA 0.111 4.419 4.320 -0.019 0.000 0.204 480 K C 2.361 178.839 176.600 -0.203 0.000 1.049 480 K CA 1.267 57.327 56.287 -0.378 0.000 0.945 480 K CB -0.736 31.614 32.500 -0.250 0.000 0.724 480 K HN 0.574 nan 8.250 nan 0.000 0.440 481 G N 1.333 110.021 108.800 -0.186 0.000 2.422 481 G HA2 -0.277 3.671 3.960 -0.019 0.000 0.218 481 G HA3 -0.277 3.671 3.960 -0.019 0.000 0.218 481 G C 1.442 176.266 174.900 -0.127 0.000 1.146 481 G CA 0.749 45.787 45.100 -0.103 0.000 0.769 481 G HN 0.139 nan 8.290 nan 0.000 0.547 482 M N 1.617 121.048 119.600 -0.282 0.000 2.144 482 M HA 0.028 4.496 4.480 -0.019 0.000 0.260 482 M C 2.074 178.299 176.300 -0.125 0.000 1.067 482 M CA 1.676 56.813 55.300 -0.271 0.000 1.095 482 M CB -0.528 31.716 32.600 -0.594 0.000 1.365 482 M HN 0.096 nan 8.290 nan 0.000 0.406 483 G N -0.768 107.973 108.800 -0.099 0.000 3.605 483 G HA2 0.079 4.028 3.960 -0.019 0.000 0.277 483 G HA3 0.079 4.028 3.960 -0.019 0.000 0.277 483 G C -0.632 174.264 174.900 -0.006 0.000 1.093 483 G CA -0.259 44.826 45.100 -0.024 0.000 0.821 483 G HN 0.382 nan 8.290 nan 0.000 0.532 484 D N 0.079 120.467 120.400 -0.020 0.000 2.349 484 D HA 0.336 4.965 4.640 -0.019 0.000 0.232 484 D C 1.203 177.502 176.300 -0.002 0.000 1.071 484 D CA -0.317 53.679 54.000 -0.006 0.000 0.832 484 D CB 1.699 42.490 40.800 -0.014 0.000 1.086 484 D HN -0.083 nan 8.370 nan 0.000 0.504 485 S N 1.502 117.205 115.700 0.005 0.000 2.419 485 S HA -0.151 4.308 4.470 -0.019 0.000 0.233 485 S C 1.878 176.482 174.600 0.007 0.000 1.016 485 S CA 1.630 59.834 58.200 0.007 0.000 0.974 485 S CB -0.066 63.139 63.200 0.009 0.000 0.786 485 S HN 0.772 nan 8.310 nan 0.000 0.492 486 T N -0.750 113.807 114.554 0.005 0.000 3.163 486 T HA 0.100 4.439 4.350 -0.019 0.000 0.260 486 T C 0.421 175.122 174.700 0.002 0.000 1.156 486 T CA 0.148 62.251 62.100 0.004 0.000 1.072 486 T CB -0.258 68.612 68.868 0.003 0.000 0.937 486 T HN 0.045 nan 8.240 nan 0.000 0.528 487 V N 3.610 123.524 119.914 0.000 0.000 2.311 487 V HA 0.368 4.476 4.120 -0.019 0.000 0.275 487 V C -2.342 173.750 176.094 -0.003 0.000 1.022 487 V CA -2.316 59.982 62.300 -0.002 0.000 0.830 487 V CB 1.084 32.905 31.823 -0.004 0.000 1.012 487 V HN 0.214 nan 8.190 nan 0.000 0.452 488 P HA 0.081 nan 4.420 nan 0.000 0.267 488 P C 0.976 178.247 177.300 -0.047 0.000 1.200 488 P CA 0.053 63.143 63.100 -0.016 0.000 0.772 488 P CB 0.729 32.418 31.700 -0.019 0.000 0.855 489 E N 1.338 121.501 120.200 -0.062 0.000 2.130 489 E HA -0.271 4.068 4.350 -0.019 0.000 0.196 489 E C 1.647 178.020 176.600 -0.379 0.000 0.998 489 E CA 1.396 57.707 56.400 -0.148 0.000 0.806 489 E CB -0.085 29.611 29.700 -0.006 0.000 0.738 489 E HN 0.589 nan 8.360 nan 0.000 0.459 490 Q N 0.215 119.768 119.800 -0.413 0.000 2.135 490 Q HA -0.219 4.110 4.340 -0.019 0.000 0.204 490 Q C 2.046 177.958 176.000 -0.147 0.000 0.981 490 Q CA 1.217 56.821 55.803 -0.331 0.000 0.856 490 Q CB 0.015 28.652 28.738 -0.168 0.000 0.902 490 Q HN 0.158 nan 8.270 nan 0.000 0.425 491 Q N 0.231 119.978 119.800 -0.089 0.000 2.245 491 Q HA -0.040 4.288 4.340 -0.019 0.000 0.201 491 Q C 1.538 177.541 176.000 0.005 0.000 0.955 491 Q CA 0.989 56.774 55.803 -0.030 0.000 0.870 491 Q CB 0.218 28.947 28.738 -0.015 0.000 0.945 491 Q HN 0.202 nan 8.270 nan 0.000 0.461 492 K N -0.486 119.918 120.400 0.007 0.000 2.097 492 K HA -0.080 4.228 4.320 -0.019 0.000 0.206 492 K C 1.901 178.578 176.600 0.129 0.000 1.049 492 K CA 1.281 57.630 56.287 0.103 0.000 0.933 492 K CB -0.099 32.461 32.500 0.099 0.000 0.717 492 K HN 0.047 nan 8.250 nan 0.000 0.442 493 V N 1.957 121.886 119.914 0.026 0.000 2.307 493 V HA -0.231 3.877 4.120 -0.019 0.000 0.245 493 V C 1.957 178.043 176.094 -0.013 0.000 1.045 493 V CA 1.775 64.083 62.300 0.013 0.000 1.024 493 V CB -0.426 31.389 31.823 -0.013 0.000 0.651 493 V HN 0.335 nan 8.190 nan 0.000 0.449 494 E N 0.046 120.240 120.200 -0.010 0.000 2.110 494 E HA -0.199 4.139 4.350 -0.019 0.000 0.193 494 E C 2.220 178.814 176.600 -0.011 0.000 0.988 494 E CA 1.232 57.626 56.400 -0.010 0.000 0.804 494 E CB -0.212 29.485 29.700 -0.004 0.000 0.745 494 E HN 0.497 nan 8.360 nan 0.000 0.458 495 L N 0.744 121.983 121.223 0.027 0.000 2.093 495 L HA -0.151 4.178 4.340 -0.019 0.000 0.208 495 L C 2.534 179.351 176.870 -0.089 0.000 1.085 495 L CA 0.596 55.475 54.840 0.064 0.000 0.755 495 L CB -0.262 41.922 42.059 0.208 0.000 0.904 495 L HN 0.221 nan 8.230 nan 0.000 0.435 496 L N -0.187 120.867 121.223 -0.282 0.000 2.005 496 L HA -0.219 4.110 4.340 -0.019 0.000 0.207 496 L C 2.900 179.521 176.870 -0.415 0.000 1.072 496 L CA 1.408 55.746 54.840 -0.836 0.000 0.744 496 L CB -0.173 41.477 42.059 -0.682 0.000 0.895 496 L HN 0.150 nan 8.230 nan 0.000 0.433 497 R N -0.185 120.198 120.500 -0.195 0.000 2.105 497 R HA -0.228 4.100 4.340 -0.019 0.000 0.239 497 R C 2.353 178.612 176.300 -0.069 0.000 1.135 497 R CA 1.762 57.803 56.100 -0.099 0.000 0.967 497 R CB -0.294 29.980 30.300 -0.045 0.000 0.861 497 R HN 0.350 nan 8.270 nan 0.000 0.442 498 K N 0.482 120.846 120.400 -0.060 0.000 2.097 498 K HA -0.078 4.231 4.320 -0.019 0.000 0.205 498 K C 2.016 178.612 176.600 -0.006 0.000 1.050 498 K CA 1.201 57.479 56.287 -0.015 0.000 0.938 498 K CB -0.004 32.498 32.500 0.004 0.000 0.718 498 K HN 0.165 nan 8.250 nan 0.000 0.442 499 A N 0.396 123.181 122.820 -0.057 0.000 1.898 499 A HA -0.079 4.229 4.320 -0.019 0.000 0.216 499 A C 2.181 179.762 177.584 -0.006 0.000 1.181 499 A CA 1.329 53.349 52.037 -0.028 0.000 0.620 499 A CB -0.521 18.416 19.000 -0.105 0.000 0.819 499 A HN 0.142 nan 8.150 nan 0.000 0.442 500 V N 0.003 119.875 119.914 -0.069 0.000 2.295 500 V HA -0.252 3.856 4.120 -0.019 0.000 0.246 500 V C 2.761 178.900 176.094 0.076 0.000 1.049 500 V CA 2.040 64.335 62.300 -0.008 0.000 1.024 500 V CB -0.716 31.093 31.823 -0.024 0.000 0.648 500 V HN 0.518 nan 8.190 nan 0.000 0.447 501 Q N -0.222 119.608 119.800 0.051 0.000 2.084 501 Q HA -0.122 4.207 4.340 -0.019 0.000 0.202 501 Q C 2.426 178.484 176.000 0.096 0.000 0.978 501 Q CA 1.907 57.751 55.803 0.068 0.000 0.844 501 Q CB -0.733 28.031 28.738 0.043 0.000 0.898 501 Q HN 0.652 nan 8.270 nan 0.000 0.426 502 A N 0.566 123.448 122.820 0.103 0.000 1.902 502 A HA -0.221 4.087 4.320 -0.019 0.000 0.217 502 A C 2.027 179.716 177.584 0.175 0.000 1.181 502 A CA 1.694 53.809 52.037 0.129 0.000 0.623 502 A CB -0.822 18.257 19.000 0.132 0.000 0.818 502 A HN 0.448 nan 8.150 nan 0.000 0.443 503 H N -0.470 118.655 119.070 0.092 0.000 2.423 503 H HA -0.071 4.473 4.556 -0.019 0.000 0.297 503 H C 2.272 177.655 175.328 0.092 0.000 1.075 503 H CA 1.801 57.903 56.048 0.089 0.000 1.342 503 H CB 0.027 29.813 29.762 0.040 0.000 1.395 503 H HN 0.404 nan 8.280 nan 0.000 0.530 504 R N 0.973 121.594 120.500 0.202 0.000 2.075 504 R HA 0.003 4.331 4.340 -0.019 0.000 0.232 504 R C 2.459 178.807 176.300 0.080 0.000 1.126 504 R CA 1.622 57.808 56.100 0.143 0.000 0.963 504 R CB -0.869 29.505 30.300 0.122 0.000 0.858 504 R HN 0.282 nan 8.270 nan 0.000 0.435 505 A N -0.682 122.186 122.820 0.080 0.000 1.933 505 A HA -0.182 4.126 4.320 -0.019 0.000 0.218 505 A C 2.242 179.851 177.584 0.040 0.000 1.175 505 A CA 1.446 53.516 52.037 0.055 0.000 0.628 505 A CB -0.964 18.069 19.000 0.054 0.000 0.814 505 A HN 0.600 nan 8.150 nan 0.000 0.444 506 Y N 0.583 120.816 120.300 -0.112 0.000 2.242 506 Y HA -0.193 4.345 4.550 -0.019 0.000 0.291 506 Y C 2.740 178.519 175.900 -0.201 0.000 1.137 506 Y CA 1.647 59.635 58.100 -0.186 0.000 1.181 506 Y CB -0.044 38.284 38.460 -0.219 0.000 0.989 506 Y HN 0.350 nan 8.280 nan 0.000 0.527 507 T N 0.021 114.587 114.554 0.020 0.000 2.708 507 T HA -0.187 4.152 4.350 -0.019 0.000 0.266 507 T C 1.248 175.964 174.700 0.027 0.000 1.037 507 T CA 1.603 63.685 62.100 -0.030 0.000 1.146 507 T CB -0.365 68.480 68.868 -0.037 0.000 0.865 507 T HN 0.395 nan 8.240 nan 0.000 0.435 508 D N 0.837 121.259 120.400 0.037 0.000 2.178 508 D HA -0.047 4.581 4.640 -0.019 0.000 0.201 508 D C 2.362 178.687 176.300 0.042 0.000 0.980 508 D CA 0.858 54.882 54.000 0.041 0.000 0.842 508 D CB -0.136 40.688 40.800 0.042 0.000 0.948 508 D HN 0.354 nan 8.370 nan 0.000 0.472 509 R N 0.603 121.115 120.500 0.020 0.000 2.062 509 R HA 0.038 4.366 4.340 -0.019 0.000 0.229 509 R C 2.375 178.696 176.300 0.036 0.000 1.128 509 R CA 0.984 57.084 56.100 0.000 0.000 0.960 509 R CB -0.231 29.986 30.300 -0.139 0.000 0.855 509 R HN 0.064 nan 8.270 nan 0.000 0.432 510 A N 1.400 124.249 122.820 0.049 0.000 1.883 510 A HA -0.185 4.124 4.320 -0.019 0.000 0.217 510 A C 2.047 179.671 177.584 0.066 0.000 1.186 510 A CA 1.394 53.461 52.037 0.049 0.000 0.624 510 A CB -0.464 18.550 19.000 0.024 0.000 0.822 510 A HN 0.130 nan 8.150 nan 0.000 0.444 511 I N -0.386 120.221 120.570 0.062 0.000 2.423 511 I HA -0.181 3.978 4.170 -0.019 0.000 0.254 511 I C 2.049 178.260 176.117 0.156 0.000 1.151 511 I CA 1.310 62.656 61.300 0.077 0.000 1.421 511 I CB -0.222 37.803 38.000 0.043 0.000 1.079 511 I HN 0.229 nan 8.210 nan 0.000 0.431 512 R N -0.117 120.493 120.500 0.183 0.000 2.466 512 R HA 0.311 4.639 4.340 -0.019 0.000 0.279 512 R C 1.091 177.652 176.300 0.435 0.000 0.976 512 R CA 0.546 56.826 56.100 0.300 0.000 1.081 512 R CB 0.076 30.482 30.300 0.177 0.000 1.215 512 R HN 0.334 nan 8.270 nan 0.000 0.546 513 G N 1.584 110.575 108.800 0.318 0.000 2.176 513 G HA2 -0.303 3.646 3.960 -0.019 0.000 0.252 513 G HA3 -0.303 3.646 3.960 -0.019 0.000 0.252 513 G C 0.316 175.251 174.900 0.059 0.000 1.024 513 G CA 0.284 45.421 45.100 0.061 0.000 0.755 513 G HN 0.486 nan 8.290 nan 0.000 0.507 514 E N -0.488 119.766 120.200 0.091 0.000 2.501 514 E HA 0.506 4.844 4.350 -0.019 0.000 0.201 514 E C 1.748 178.392 176.600 0.073 0.000 1.016 514 E CA 0.215 56.674 56.400 0.098 0.000 0.920 514 E CB 0.458 30.214 29.700 0.094 0.000 1.023 514 E HN 0.724 nan 8.360 nan 0.000 0.474 515 A N 0.458 123.311 122.820 0.054 0.000 2.256 515 A HA 0.293 4.602 4.320 -0.019 0.000 0.276 515 A C 0.527 178.244 177.584 0.221 0.000 1.259 515 A CA 0.012 52.073 52.037 0.039 0.000 0.813 515 A CB 0.034 19.043 19.000 0.014 0.000 1.200 515 A HN 0.339 nan 8.150 nan 0.000 0.506 516 F N -3.662 116.414 119.950 0.210 0.000 2.880 516 F HA 0.310 4.825 4.527 -0.019 0.000 0.346 516 F C 0.781 176.739 175.800 0.264 0.000 1.054 516 F CA 0.290 58.459 58.000 0.282 0.000 1.151 516 F CB -0.364 38.815 39.000 0.298 0.000 1.066 516 F HN 0.450 nan 8.300 nan 0.000 0.566 517 D N 1.402 121.664 120.400 -0.230 0.000 2.104 517 D HA -0.125 4.503 4.640 -0.019 0.000 0.194 517 D C 2.059 178.463 176.300 0.175 0.000 0.994 517 D CA 1.735 55.732 54.000 -0.005 0.000 0.830 517 D CB 0.023 40.753 40.800 -0.116 0.000 0.959 517 D HN 0.018 nan 8.370 nan 0.000 0.452 518 R N -0.320 120.250 120.500 0.116 0.000 2.115 518 R HA -0.084 4.244 4.340 -0.019 0.000 0.230 518 R C 2.094 178.671 176.300 0.461 0.000 1.111 518 R CA 0.882 57.082 56.100 0.167 0.000 0.976 518 R CB -0.997 29.285 30.300 -0.030 0.000 0.870 518 R HN 0.563 nan 8.270 nan 0.000 0.445 519 H N 0.518 119.802 119.070 0.357 0.000 2.326 519 H HA 0.019 4.564 4.556 -0.019 0.000 0.301 519 H C 2.022 177.520 175.328 0.284 0.000 1.081 519 H CA 1.187 57.451 56.048 0.359 0.000 1.334 519 H CB 0.169 30.101 29.762 0.284 0.000 1.385 519 H HN 0.046 nan 8.280 nan 0.000 0.504 520 L N 0.425 121.808 121.223 0.267 0.000 2.083 520 L HA -0.178 4.151 4.340 -0.019 0.000 0.209 520 L C 2.711 179.654 176.870 0.121 0.000 1.083 520 L CA 0.518 55.465 54.840 0.179 0.000 0.752 520 L CB -0.309 41.904 42.059 0.257 0.000 0.899 520 L HN 0.333 nan 8.230 nan 0.000 0.433 521 L N 0.334 121.663 121.223 0.176 0.000 2.046 521 L HA -0.068 4.260 4.340 -0.019 0.000 0.208 521 L C 2.341 179.175 176.870 -0.060 0.000 1.077 521 L CA 2.166 57.034 54.840 0.046 0.000 0.747 521 L CB -1.082 41.082 42.059 0.176 0.000 0.896 521 L HN 0.102 nan 8.230 nan 0.000 0.432 522 G N -0.312 108.611 108.800 0.205 0.000 2.418 522 G HA2 -0.236 3.713 3.960 -0.019 0.000 0.217 522 G HA3 -0.236 3.713 3.960 -0.019 0.000 0.217 522 G C 1.598 176.496 174.900 -0.002 0.000 1.158 522 G CA 1.129 46.382 45.100 0.254 0.000 0.771 522 G HN 0.454 nan 8.290 nan 0.000 0.545 523 L N -0.001 121.254 121.223 0.054 0.000 2.046 523 L HA -0.049 4.279 4.340 -0.019 0.000 0.208 523 L C 2.815 179.627 176.870 -0.097 0.000 1.077 523 L CA 1.538 56.436 54.840 0.096 0.000 0.747 523 L CB -0.331 41.912 42.059 0.308 0.000 0.896 523 L HN 0.194 nan 8.230 nan 0.000 0.432 524 K N 0.594 120.650 120.400 -0.573 0.000 2.026 524 K HA -0.175 4.133 4.320 -0.019 0.000 0.208 524 K C 2.152 178.447 176.600 -0.508 0.000 1.048 524 K CA 1.366 57.086 56.287 -0.946 0.000 0.929 524 K CB -0.099 31.560 32.500 -1.401 0.000 0.713 524 K HN 0.222 nan 8.250 nan 0.000 0.439 525 L N 0.621 121.496 121.223 -0.580 0.000 2.083 525 L HA -0.188 4.140 4.340 -0.019 0.000 0.209 525 L C 2.699 179.306 176.870 -0.437 0.000 1.083 525 L CA 1.076 55.486 54.840 -0.717 0.000 0.752 525 L CB -0.416 40.722 42.059 -1.534 0.000 0.899 525 L HN 0.290 nan 8.230 nan 0.000 0.433 526 Q N 0.400 120.043 119.800 -0.261 0.000 2.170 526 Q HA -0.152 4.176 4.340 -0.019 0.000 0.203 526 Q C 2.174 178.207 176.000 0.055 0.000 0.976 526 Q CA 1.865 57.729 55.803 0.101 0.000 0.858 526 Q CB -0.153 28.697 28.738 0.186 0.000 0.907 526 Q HN 0.436 nan 8.270 nan 0.000 0.433 527 A N 0.149 122.967 122.820 -0.003 0.000 1.873 527 A HA -0.124 4.185 4.320 -0.019 0.000 0.215 527 A C 2.107 179.696 177.584 0.008 0.000 1.186 527 A CA 1.426 53.481 52.037 0.030 0.000 0.616 527 A CB -0.707 18.328 19.000 0.059 0.000 0.823 527 A HN 0.466 nan 8.150 nan 0.000 0.442 528 I N -0.552 119.992 120.570 -0.043 0.000 2.208 528 I HA -0.271 3.887 4.170 -0.019 0.000 0.245 528 I C 2.587 178.715 176.117 0.019 0.000 1.097 528 I CA 1.900 63.182 61.300 -0.030 0.000 1.363 528 I CB -0.317 37.636 38.000 -0.079 0.000 1.051 528 I HN 0.545 nan 8.210 nan 0.000 0.413 529 E N 0.872 121.104 120.200 0.054 0.000 2.150 529 E HA -0.235 4.103 4.350 -0.019 0.000 0.193 529 E C 1.198 177.850 176.600 0.087 0.000 0.985 529 E CA 1.149 57.616 56.400 0.112 0.000 0.814 529 E CB 0.113 29.950 29.700 0.228 0.000 0.752 529 E HN 0.401 nan 8.360 nan 0.000 0.466 530 D N 0.259 120.703 120.400 0.074 0.000 2.363 530 D HA -0.007 4.622 4.640 -0.019 0.000 0.226 530 D C 0.633 176.958 176.300 0.041 0.000 1.020 530 D CA 0.360 54.394 54.000 0.057 0.000 0.892 530 D CB 0.188 41.020 40.800 0.052 0.000 0.900 530 D HN 0.253 nan 8.370 nan 0.000 0.531 531 L N -0.760 120.485 121.223 0.038 0.000 3.898 531 L HA -0.199 4.130 4.340 -0.019 0.000 0.407 531 L C 0.111 176.996 176.870 0.025 0.000 1.207 531 L CA -0.096 54.761 54.840 0.028 0.000 0.931 531 L CB -2.297 39.778 42.059 0.026 0.000 2.014 531 L HN -0.040 nan 8.230 nan 0.000 0.858 532 V N -3.777 116.154 119.914 0.028 0.000 2.975 532 V HA 0.735 4.843 4.120 -0.019 0.000 0.318 532 V C 0.921 177.034 176.094 0.032 0.000 1.077 532 V CA -0.183 62.134 62.300 0.029 0.000 1.000 532 V CB 1.847 33.691 31.823 0.035 0.000 1.066 532 V HN 0.247 nan 8.190 nan 0.000 0.452 533 S N 2.407 118.126 115.700 0.032 0.000 2.568 533 S HA 0.232 4.690 4.470 -0.019 0.000 0.282 533 S C 0.199 174.829 174.600 0.051 0.000 1.338 533 S CA -0.382 57.838 58.200 0.033 0.000 1.045 533 S CB -0.035 63.183 63.200 0.029 0.000 0.873 533 S HN 1.001 nan 8.310 nan 0.000 0.516 534 M N 6.513 126.142 119.600 0.048 0.000 2.390 534 M HA 0.270 4.739 4.480 -0.019 0.000 0.353 534 M C -2.345 174.014 176.300 0.098 0.000 1.623 534 M CA -1.461 53.883 55.300 0.075 0.000 1.065 534 M CB -0.212 32.420 32.600 0.053 0.000 2.025 534 M HN 0.348 nan 8.290 nan 0.000 0.461 535 P HA -0.012 nan 4.420 nan 0.000 0.265 535 P C -0.053 177.208 177.300 -0.066 0.000 1.187 535 P CA 0.032 63.177 63.100 0.076 0.000 0.766 535 P CB 0.520 32.298 31.700 0.130 0.000 0.820 536 D N 2.002 122.343 120.400 -0.099 0.000 2.149 536 D HA -0.162 4.466 4.640 -0.019 0.000 0.198 536 D C 1.698 177.842 176.300 -0.260 0.000 0.990 536 D CA 1.107 55.035 54.000 -0.120 0.000 0.839 536 D CB -0.318 40.430 40.800 -0.086 0.000 0.948 536 D HN 0.405 nan 8.370 nan 0.000 0.460 537 I N -0.247 119.997 120.570 -0.542 0.000 2.423 537 I HA -0.271 3.887 4.170 -0.019 0.000 0.254 537 I C 1.423 177.056 176.117 -0.808 0.000 1.151 537 I CA 1.109 61.930 61.300 -0.799 0.000 1.421 537 I CB -0.029 37.118 38.000 -1.422 0.000 1.079 537 I HN -0.112 nan 8.210 nan 0.000 0.431 538 F N -0.885 118.795 119.950 -0.449 0.000 2.754 538 F HA 0.053 4.569 4.527 -0.019 0.000 0.297 538 F C 1.993 177.724 175.800 -0.116 0.000 1.122 538 F CA -0.107 57.612 58.000 -0.468 0.000 1.400 538 F CB 0.001 38.731 39.000 -0.450 0.000 1.117 538 F HN 0.019 nan 8.300 nan 0.000 0.587 539 M N -0.545 119.082 119.600 0.046 0.000 2.509 539 M HA 0.060 4.529 4.480 -0.019 0.000 0.250 539 M C 0.126 176.475 176.300 0.081 0.000 1.132 539 M CA 0.396 55.742 55.300 0.076 0.000 1.080 539 M CB -0.881 31.745 32.600 0.044 0.000 1.408 539 M HN -0.084 nan 8.290 nan 0.000 0.484 540 D N 1.027 121.462 120.400 0.058 0.000 2.472 540 D HA -0.026 4.603 4.640 -0.019 0.000 0.237 540 D C 0.900 177.283 176.300 0.137 0.000 1.141 540 D CA 0.715 54.770 54.000 0.093 0.000 0.875 540 D CB 1.202 42.025 40.800 0.038 0.000 1.192 540 D HN 0.066 nan 8.370 nan 0.000 0.450 541 T N 1.764 116.387 114.554 0.115 0.000 2.788 541 T HA -0.117 4.222 4.350 -0.019 0.000 0.268 541 T C 1.937 176.697 174.700 0.099 0.000 1.044 541 T CA 1.377 63.529 62.100 0.086 0.000 1.139 541 T CB -0.101 68.799 68.868 0.053 0.000 0.867 541 T HN 0.350 nan 8.240 nan 0.000 0.454 542 S N 0.193 115.967 115.700 0.123 0.000 2.399 542 S HA -0.074 4.385 4.470 -0.019 0.000 0.231 542 S C 1.632 176.358 174.600 0.209 0.000 1.022 542 S CA 0.786 59.061 58.200 0.124 0.000 0.983 542 S CB -0.399 62.843 63.200 0.071 0.000 0.803 542 S HN 0.629 nan 8.310 nan 0.000 0.480 543 Y N 1.908 122.298 120.300 0.149 0.000 2.220 543 Y HA -0.059 4.479 4.550 -0.019 0.000 0.291 543 Y C 2.443 178.409 175.900 0.110 0.000 1.129 543 Y CA 0.933 59.146 58.100 0.189 0.000 1.161 543 Y CB -0.438 38.105 38.460 0.140 0.000 0.997 543 Y HN 0.253 nan 8.280 nan 0.000 0.522 544 A N 0.489 123.354 122.820 0.076 0.000 1.908 544 A HA -0.196 4.112 4.320 -0.019 0.000 0.218 544 A C 2.182 179.720 177.584 -0.078 0.000 1.181 544 A CA 2.006 54.030 52.037 -0.021 0.000 0.627 544 A CB -1.054 17.962 19.000 0.026 0.000 0.818 544 A HN 0.583 nan 8.150 nan 0.000 0.445 545 I N -0.401 120.145 120.570 -0.040 0.000 2.202 545 I HA -0.252 3.907 4.170 -0.019 0.000 0.242 545 I C 2.975 179.037 176.117 -0.091 0.000 1.091 545 I CA 1.061 62.332 61.300 -0.048 0.000 1.368 545 I CB -0.448 37.550 38.000 -0.003 0.000 1.058 545 I HN 0.352 nan 8.210 nan 0.000 0.410 546 A N 0.515 123.289 122.820 -0.076 0.000 1.978 546 A HA -0.177 4.131 4.320 -0.019 0.000 0.220 546 A C 2.140 179.454 177.584 -0.450 0.000 1.170 546 A CA 1.504 53.484 52.037 -0.094 0.000 0.636 546 A CB -0.320 18.774 19.000 0.157 0.000 0.810 546 A HN 0.338 nan 8.150 nan 0.000 0.448 547 M N -0.634 118.641 119.600 -0.541 0.000 2.495 547 M HA 0.097 4.566 4.480 -0.019 0.000 0.237 547 M C 0.537 176.411 176.300 -0.711 0.000 1.131 547 M CA 0.357 55.225 55.300 -0.719 0.000 1.032 547 M CB -0.744 31.525 32.600 -0.552 0.000 1.513 547 M HN 0.469 nan 8.290 nan 0.000 0.488 548 H N 0.554 119.258 119.070 -0.610 0.000 2.818 548 H HA 0.222 4.766 4.556 -0.019 0.000 0.269 548 H C -1.283 173.841 175.328 -0.339 0.000 1.277 548 H CA -0.444 55.395 56.048 -0.347 0.000 1.290 548 H CB -0.075 29.575 29.762 -0.186 0.000 1.479 548 H HN -0.051 nan 8.280 nan 0.000 0.507 549 F N 4.687 124.545 119.950 -0.153 0.000 2.509 549 F HA 0.121 4.637 4.527 -0.019 0.000 0.350 549 F C 1.701 177.453 175.800 -0.080 0.000 1.220 549 F CA -0.426 57.537 58.000 -0.062 0.000 1.151 549 F CB 0.112 39.103 39.000 -0.015 0.000 1.379 549 F HN 0.505 nan 8.300 nan 0.000 0.610 550 N N 2.346 121.118 118.700 0.121 0.000 2.272 550 N HA -0.113 4.616 4.740 -0.019 0.000 0.185 550 N C 0.239 175.852 175.510 0.172 0.000 1.014 550 N CA 0.987 54.104 53.050 0.111 0.000 0.870 550 N CB 0.334 38.875 38.487 0.089 0.000 0.975 550 N HN 0.386 nan 8.380 nan 0.000 0.433 551 L N 0.640 121.959 121.223 0.160 0.000 2.319 551 L HA 0.246 4.574 4.340 -0.019 0.000 0.281 551 L C -0.396 176.610 176.870 0.227 0.000 1.005 551 L CA -0.355 54.598 54.840 0.188 0.000 0.828 551 L CB 2.034 44.132 42.059 0.064 0.000 1.227 551 L HN -0.181 nan 8.230 nan 0.000 0.415 552 S N 2.276 118.129 115.700 0.255 0.000 2.566 552 S HA 0.710 5.168 4.470 -0.019 0.000 0.324 552 S C -0.282 174.569 174.600 0.417 0.000 1.081 552 S CA -0.413 57.924 58.200 0.228 0.000 1.105 552 S CB 0.894 64.181 63.200 0.145 0.000 0.981 552 S HN 0.698 nan 8.310 nan 0.000 0.464 553 T N 1.432 116.228 114.554 0.402 0.000 2.887 553 T HA 0.945 5.283 4.350 -0.019 0.000 0.292 553 T C -0.623 174.329 174.700 0.419 0.000 1.087 553 T CA -0.690 61.704 62.100 0.491 0.000 1.009 553 T CB 1.596 70.712 68.868 0.414 0.000 1.203 553 T HN 1.237 nan 8.240 nan 0.000 0.518 554 A N 0.827 123.862 122.820 0.358 0.000 2.582 554 A HA 0.625 4.933 4.320 -0.019 0.000 0.297 554 A C -1.229 176.201 177.584 -0.257 0.000 1.059 554 A CA -0.792 51.320 52.037 0.125 0.000 0.705 554 A CB 1.579 20.692 19.000 0.189 0.000 1.279 554 A HN 0.936 nan 8.150 nan 0.000 0.404 555 Q N 1.431 121.000 119.800 -0.384 0.000 2.290 555 Q HA 0.584 4.912 4.340 -0.019 0.000 0.259 555 Q C -1.451 174.371 176.000 -0.297 0.000 0.941 555 Q CA -0.417 54.963 55.803 -0.705 0.000 0.912 555 Q CB 1.431 29.910 28.738 -0.431 0.000 1.244 555 Q HN 0.617 nan 8.270 nan 0.000 0.441 556 V N 7.762 127.519 119.914 -0.262 0.000 2.225 556 V HA 0.279 4.388 4.120 -0.019 0.000 0.264 556 V C -2.151 173.888 176.094 -0.092 0.000 1.067 556 V CA -1.390 60.842 62.300 -0.115 0.000 0.903 556 V CB 0.745 32.529 31.823 -0.065 0.000 1.136 556 V HN 0.707 nan 8.190 nan 0.000 0.456 557 P HA 0.410 nan 4.420 nan 0.000 0.271 557 P C -0.521 176.770 177.300 -0.015 0.000 1.233 557 P CA 0.357 63.436 63.100 -0.036 0.000 0.764 557 P CB 1.679 33.372 31.700 -0.013 0.000 0.825 558 A N 3.916 126.729 122.820 -0.011 0.000 2.539 558 A HA 0.408 4.717 4.320 -0.019 0.000 0.296 558 A C 0.913 178.506 177.584 0.016 0.000 1.073 558 A CA -0.698 51.343 52.037 0.007 0.000 0.700 558 A CB 1.416 20.418 19.000 0.004 0.000 1.296 558 A HN 0.343 nan 8.150 nan 0.000 0.405 559 K N 0.094 120.512 120.400 0.030 0.000 2.103 559 K HA 0.015 4.324 4.320 -0.019 0.000 0.204 559 K C 0.232 176.857 176.600 0.043 0.000 1.052 559 K CA 1.268 57.577 56.287 0.036 0.000 0.945 559 K CB -0.143 32.382 32.500 0.042 0.000 0.722 559 K HN 0.729 nan 8.250 nan 0.000 0.443 560 T N 2.095 116.677 114.554 0.047 0.000 2.916 560 T HA -0.041 4.297 4.350 -0.019 0.000 0.303 560 T C -0.028 174.710 174.700 0.064 0.000 1.025 560 T CA -0.070 62.066 62.100 0.059 0.000 1.142 560 T CB 0.749 69.656 68.868 0.065 0.000 0.947 560 T HN 0.059 nan 8.240 nan 0.000 0.544 561 D N 2.789 123.240 120.400 0.085 0.000 2.597 561 D HA 0.139 4.768 4.640 -0.019 0.000 0.228 561 D C 0.285 176.651 176.300 0.109 0.000 1.120 561 D CA -0.507 53.565 54.000 0.119 0.000 1.083 561 D CB -0.933 39.962 40.800 0.158 0.000 1.116 561 D HN 0.619 nan 8.370 nan 0.000 0.487 562 C N -0.170 119.180 119.300 0.083 0.000 3.028 562 C HA 0.915 5.363 4.460 -0.019 0.000 0.338 562 C C -0.243 174.790 174.990 0.071 0.000 1.366 562 C CA -0.961 58.107 59.018 0.083 0.000 1.610 562 C CB 1.390 29.170 27.740 0.066 0.000 2.063 562 C HN 0.209 nan 8.230 nan 0.000 0.463 563 V N 0.274 120.241 119.914 0.088 0.000 2.969 563 V HA 0.800 4.908 4.120 -0.019 0.000 0.304 563 V C 0.161 176.285 176.094 0.050 0.000 1.192 563 V CA 0.808 63.160 62.300 0.086 0.000 0.962 563 V CB 1.986 33.896 31.823 0.145 0.000 1.045 563 V HN 1.604 nan 8.190 nan 0.000 0.428 564 G N 3.625 112.410 108.800 -0.025 0.000 2.511 564 G HA2 0.850 4.799 3.960 -0.019 0.000 0.316 564 G HA3 0.850 4.799 3.960 -0.019 0.000 0.316 564 G C -1.244 173.579 174.900 -0.129 0.000 1.210 564 G CA -0.408 44.553 45.100 -0.232 0.000 0.969 564 G HN 1.302 nan 8.290 nan 0.000 0.492 565 F N -2.036 117.921 119.950 0.012 0.000 2.688 565 F HA 0.711 5.227 4.527 -0.019 0.000 0.308 565 F C -1.313 174.465 175.800 -0.037 0.000 1.117 565 F CA -2.137 55.772 58.000 -0.152 0.000 0.976 565 F CB 1.114 40.042 39.000 -0.121 0.000 1.291 565 F HN 0.654 nan 8.300 nan 0.000 0.439 566 F N -0.757 119.330 119.950 0.229 0.000 2.668 566 F HA 0.927 5.443 4.527 -0.018 0.000 0.309 566 F C -0.077 175.798 175.800 0.125 0.000 1.117 566 F CA -1.801 56.283 58.000 0.140 0.000 0.951 566 F CB 0.937 39.990 39.000 0.089 0.000 1.323 566 F HN 0.858 nan 8.300 nan 0.000 0.451 567 G N 0.559 109.568 108.800 0.350 0.000 2.572 567 G HA2 0.554 4.502 3.960 -0.019 0.000 0.261 567 G HA3 0.554 4.502 3.960 -0.019 0.000 0.261 567 G C -2.953 172.122 174.900 0.291 0.000 1.197 567 G CA -1.676 43.551 45.100 0.212 0.000 0.870 567 G HN 0.501 nan 8.290 nan 0.000 0.548 568 P HA 0.077 nan 4.420 nan 0.000 0.271 568 P C 1.125 178.595 177.300 0.284 0.000 1.233 568 P CA -0.213 62.959 63.100 0.119 0.000 0.789 568 P CB 0.883 32.504 31.700 -0.132 0.000 0.951 569 V N -0.577 119.446 119.914 0.182 0.000 3.608 569 V HA 0.147 4.255 4.120 -0.019 0.000 0.269 569 V C 0.488 176.615 176.094 0.055 0.000 1.245 569 V CA 0.436 62.795 62.300 0.099 0.000 1.138 569 V CB -0.595 31.205 31.823 -0.038 0.000 0.841 569 V HN 0.335 nan 8.190 nan 0.000 0.451 570 V N -5.572 114.388 119.914 0.076 0.000 3.007 570 V HA 0.645 4.753 4.120 -0.019 0.000 0.311 570 V C -2.103 174.100 176.094 0.182 0.000 1.120 570 V CA -1.880 60.416 62.300 -0.008 0.000 0.980 570 V CB 1.357 32.950 31.823 -0.383 0.000 1.033 570 V HN -0.021 nan 8.190 nan 0.000 0.429 571 P HA -0.113 nan 4.420 nan 0.000 0.216 571 P C 0.400 177.828 177.300 0.213 0.000 1.150 571 P CA 1.914 65.110 63.100 0.160 0.000 0.843 571 P CB 0.018 31.739 31.700 0.035 0.000 0.787 572 D N -1.503 118.983 120.400 0.143 0.000 2.738 572 D HA 0.228 4.856 4.640 -0.019 0.000 0.246 572 D C 0.654 176.956 176.300 0.004 0.000 1.270 572 D CA -0.371 53.673 54.000 0.072 0.000 0.833 572 D CB -0.251 40.606 40.800 0.095 0.000 1.040 572 D HN 0.019 nan 8.370 nan 0.000 0.487 573 G N -0.752 108.033 108.800 -0.026 0.000 3.013 573 G HA2 0.574 4.523 3.960 -0.019 0.000 0.278 573 G HA3 0.574 4.523 3.960 -0.019 0.000 0.278 573 G C -1.646 173.125 174.900 -0.214 0.000 1.353 573 G CA -0.818 44.253 45.100 -0.048 0.000 1.043 573 G HN 0.088 nan 8.290 nan 0.000 0.523 574 Y N -1.304 119.040 120.300 0.073 0.000 2.499 574 Y HA 0.584 5.122 4.550 -0.019 0.000 0.347 574 Y C 0.646 176.593 175.900 0.078 0.000 0.987 574 Y CA -0.616 57.511 58.100 0.043 0.000 1.044 574 Y CB 2.728 41.238 38.460 0.084 0.000 1.245 574 Y HN 0.688 nan 8.280 nan 0.000 0.461 575 G N 3.233 112.145 108.800 0.187 0.000 2.415 575 G HA2 0.638 4.587 3.960 -0.019 0.000 0.317 575 G HA3 0.638 4.587 3.960 -0.019 0.000 0.317 575 G C -1.137 173.698 174.900 -0.109 0.000 1.152 575 G CA -0.430 44.748 45.100 0.129 0.000 0.956 575 G HN 0.536 nan 8.290 nan 0.000 0.458 576 I N 1.846 122.427 120.570 0.018 0.000 2.418 576 I HA 0.357 4.515 4.170 -0.019 0.000 0.287 576 I C -0.423 175.777 176.117 0.138 0.000 1.008 576 I CA -0.716 60.621 61.300 0.061 0.000 1.104 576 I CB 2.090 40.210 38.000 0.201 0.000 1.264 576 I HN 0.407 nan 8.210 nan 0.000 0.438 577 C N 7.609 126.956 119.300 0.078 0.000 2.563 577 C HA 0.841 5.290 4.460 -0.019 0.000 0.314 577 C C -1.140 174.015 174.990 0.275 0.000 1.199 577 C CA -0.405 58.701 59.018 0.146 0.000 1.564 577 C CB 1.088 28.819 27.740 -0.015 0.000 2.173 577 C HN 0.739 nan 8.230 nan 0.000 0.485 578 Y N 2.608 122.937 120.300 0.049 0.000 2.571 578 Y HA 0.632 5.170 4.550 -0.020 0.000 0.341 578 Y C -0.885 174.929 175.900 -0.143 0.000 1.076 578 Y CA -1.290 56.719 58.100 -0.152 0.000 1.029 578 Y CB 0.899 39.104 38.460 -0.424 0.000 1.308 578 Y HN 0.560 nan 8.280 nan 0.000 0.461 579 N N 3.445 122.086 118.700 -0.098 0.000 2.623 579 N HA 0.402 5.131 4.740 -0.019 0.000 0.256 579 N C -3.294 172.150 175.510 -0.110 0.000 1.045 579 N CA -2.529 50.463 53.050 -0.097 0.000 0.863 579 N CB 1.759 40.207 38.487 -0.064 0.000 1.182 579 N HN 0.477 nan 8.380 nan 0.000 0.523 580 P HA 0.118 nan 4.420 nan 0.000 0.274 580 P C -0.154 177.091 177.300 -0.092 0.000 1.291 580 P CA -0.138 62.928 63.100 -0.057 0.000 0.815 580 P CB 0.551 32.286 31.700 0.059 0.000 0.897 581 M N 2.032 121.506 119.600 -0.210 0.000 2.310 581 M HA 0.191 4.660 4.480 -0.019 0.000 0.241 581 M C 1.796 178.038 176.300 -0.096 0.000 1.162 581 M CA -0.571 54.593 55.300 -0.226 0.000 0.958 581 M CB -0.143 32.113 32.600 -0.573 0.000 1.348 581 M HN 0.208 nan 8.290 nan 0.000 0.541 582 E N 0.999 121.182 120.200 -0.029 0.000 2.028 582 E HA -0.008 4.331 4.350 -0.019 0.000 0.191 582 E C 1.364 178.032 176.600 0.114 0.000 0.988 582 E CA 2.129 58.560 56.400 0.051 0.000 0.799 582 E CB -0.018 29.720 29.700 0.063 0.000 0.755 582 E HN 0.690 nan 8.360 nan 0.000 0.447 583 A N -0.187 122.732 122.820 0.165 0.000 2.390 583 A HA 0.186 4.495 4.320 -0.019 0.000 0.232 583 A C 0.168 177.947 177.584 0.325 0.000 1.233 583 A CA 0.270 52.455 52.037 0.246 0.000 0.907 583 A CB -0.288 18.847 19.000 0.225 0.000 0.967 583 A HN 0.511 nan 8.150 nan 0.000 0.512 584 H N -2.316 116.837 119.070 0.138 0.000 2.960 584 H HA 0.684 5.230 4.556 -0.017 0.000 0.323 584 H C -1.945 173.451 175.328 0.112 0.000 1.326 584 H CA -1.418 54.711 56.048 0.135 0.000 1.124 584 H CB 0.659 30.482 29.762 0.102 0.000 1.853 584 H HN 0.001 nan 8.280 nan 0.000 0.536 585 I N 1.397 122.044 120.570 0.128 0.000 2.534 585 I HA 0.230 4.388 4.170 -0.019 0.000 0.288 585 I C -0.674 175.405 176.117 -0.064 0.000 1.077 585 I CA -0.556 60.672 61.300 -0.120 0.000 1.051 585 I CB 2.061 39.893 38.000 -0.281 0.000 1.234 585 I HN 0.447 nan 8.210 nan 0.000 0.425 586 N N 5.478 124.094 118.700 -0.139 0.000 2.444 586 N HA 0.545 5.274 4.740 -0.019 0.000 0.271 586 N C -1.382 174.041 175.510 -0.146 0.000 1.069 586 N CA -0.288 52.763 53.050 0.001 0.000 0.965 586 N CB 1.075 39.599 38.487 0.061 0.000 1.092 586 N HN 0.265 nan 8.380 nan 0.000 0.476 587 F N 0.494 120.548 119.950 0.172 0.000 2.546 587 F HA 0.485 5.000 4.527 -0.020 0.000 0.320 587 F C 0.230 176.101 175.800 0.118 0.000 1.076 587 F CA -0.818 57.274 58.000 0.153 0.000 0.928 587 F CB 1.952 41.014 39.000 0.104 0.000 1.189 587 F HN 0.297 nan 8.300 nan 0.000 0.465 588 S N 1.461 117.357 115.700 0.328 0.000 2.614 588 S HA 0.857 5.316 4.470 -0.019 0.000 0.288 588 S C -1.710 172.946 174.600 0.093 0.000 1.137 588 S CA -0.643 57.657 58.200 0.166 0.000 0.992 588 S CB 1.390 64.707 63.200 0.194 0.000 1.026 588 S HN 0.384 nan 8.310 nan 0.000 0.486 589 V N 3.339 123.273 119.914 0.034 0.000 2.483 589 V HA 0.777 4.886 4.120 -0.019 0.000 0.297 589 V C 0.004 176.103 176.094 0.009 0.000 1.027 589 V CA -0.476 61.837 62.300 0.021 0.000 0.855 589 V CB 1.575 33.402 31.823 0.006 0.000 0.995 589 V HN 1.127 nan 8.190 nan 0.000 0.424 590 S N 3.415 119.121 115.700 0.009 0.000 2.607 590 S HA 1.012 5.471 4.470 -0.019 0.000 0.303 590 S C -0.444 174.123 174.600 -0.055 0.000 1.086 590 S CA -0.184 57.988 58.200 -0.046 0.000 0.995 590 S CB 2.512 65.647 63.200 -0.108 0.000 1.084 590 S HN 1.635 nan 8.310 nan 0.000 0.507 591 A N 0.664 123.364 122.820 -0.200 0.000 2.586 591 A HA 0.695 5.003 4.320 -0.019 0.000 0.290 591 A C -2.255 175.101 177.584 -0.380 0.000 1.086 591 A CA -0.846 50.980 52.037 -0.351 0.000 0.665 591 A CB 0.581 19.439 19.000 -0.237 0.000 1.279 591 A HN 0.747 nan 8.150 nan 0.000 0.423 592 Y N 1.379 121.651 120.300 -0.047 0.000 2.341 592 Y HA 0.327 4.866 4.550 -0.019 0.000 0.337 592 Y C 1.363 177.251 175.900 -0.020 0.000 1.014 592 Y CA -1.146 56.949 58.100 -0.008 0.000 1.111 592 Y CB 1.317 39.783 38.460 0.010 0.000 1.194 592 Y HN 0.704 nan 8.280 nan 0.000 0.462 593 N N 0.524 119.319 118.700 0.158 0.000 2.381 593 N HA -0.137 4.592 4.740 -0.019 0.000 0.182 593 N C 1.673 177.228 175.510 0.074 0.000 1.025 593 N CA 1.228 54.329 53.050 0.085 0.000 0.888 593 N CB -0.092 38.433 38.487 0.063 0.000 0.965 593 N HN 0.665 nan 8.380 nan 0.000 0.438 594 S N -0.789 114.963 115.700 0.088 0.000 2.507 594 S HA -0.047 4.411 4.470 -0.019 0.000 0.235 594 S C 1.117 175.743 174.600 0.044 0.000 0.988 594 S CA -0.116 58.111 58.200 0.044 0.000 0.944 594 S CB -0.488 62.718 63.200 0.010 0.000 0.762 594 S HN 0.333 nan 8.310 nan 0.000 0.526 595 C N 2.060 121.399 119.300 0.066 0.000 2.264 595 C HA 0.831 5.280 4.460 -0.019 0.000 0.322 595 C C 1.566 176.579 174.990 0.039 0.000 1.210 595 C CA -0.568 58.479 59.018 0.049 0.000 1.539 595 C CB -0.397 27.377 27.740 0.056 0.000 2.167 595 C HN 0.563 nan 8.230 nan 0.000 0.463 596 A N 3.385 126.226 122.820 0.036 0.000 2.178 596 A HA -0.069 4.239 4.320 -0.019 0.000 0.218 596 A C 1.819 179.432 177.584 0.049 0.000 1.157 596 A CA 1.458 53.517 52.037 0.036 0.000 0.689 596 A CB -0.242 18.776 19.000 0.029 0.000 0.787 596 A HN 0.876 nan 8.150 nan 0.000 0.465 597 E N -0.105 120.132 120.200 0.062 0.000 2.481 597 E HA 0.025 4.364 4.350 -0.019 0.000 0.195 597 E C 0.616 177.317 176.600 0.168 0.000 1.047 597 E CA 0.874 57.345 56.400 0.118 0.000 0.867 597 E CB 0.012 29.784 29.700 0.119 0.000 0.858 597 E HN 0.703 nan 8.360 nan 0.000 0.513 598 T N -1.927 112.663 114.554 0.061 0.000 2.907 598 T HA 0.543 4.882 4.350 -0.019 0.000 0.292 598 T C -0.575 174.163 174.700 0.064 0.000 1.043 598 T CA -1.057 61.044 62.100 0.001 0.000 1.003 598 T CB 1.787 70.373 68.868 -0.470 0.000 1.084 598 T HN -0.068 nan 8.240 nan 0.000 0.483 599 N N 0.329 119.170 118.700 0.235 0.000 2.616 599 N HA 0.328 5.057 4.740 -0.019 0.000 0.281 599 N C 0.872 176.551 175.510 0.282 0.000 1.145 599 N CA -0.100 53.057 53.050 0.179 0.000 0.919 599 N CB 2.030 40.579 38.487 0.102 0.000 1.509 599 N HN 0.811 nan 8.380 nan 0.000 0.537 600 A N 3.445 126.390 122.820 0.209 0.000 1.892 600 A HA -0.124 4.184 4.320 -0.019 0.000 0.218 600 A C 2.104 179.677 177.584 -0.018 0.000 1.188 600 A CA 2.394 54.523 52.037 0.153 0.000 0.631 600 A CB -0.743 18.296 19.000 0.065 0.000 0.822 600 A HN 0.772 nan 8.150 nan 0.000 0.447 601 A N -0.544 122.225 122.820 -0.085 0.000 1.883 601 A HA -0.192 4.117 4.320 -0.019 0.000 0.217 601 A C 2.247 179.531 177.584 -0.500 0.000 1.186 601 A CA 2.036 53.886 52.037 -0.311 0.000 0.624 601 A CB -0.492 18.387 19.000 -0.203 0.000 0.822 601 A HN 0.572 nan 8.150 nan 0.000 0.444 602 R N -1.524 118.882 120.500 -0.158 0.000 2.073 602 R HA -0.149 4.179 4.340 -0.019 0.000 0.234 602 R C 2.159 178.471 176.300 0.021 0.000 1.134 602 R CA 1.974 58.082 56.100 0.013 0.000 0.952 602 R CB -0.360 29.968 30.300 0.047 0.000 0.850 602 R HN 0.444 nan 8.270 nan 0.000 0.433 603 M N 0.403 119.947 119.600 -0.094 0.000 2.108 603 M HA -0.061 4.408 4.480 -0.019 0.000 0.261 603 M C 1.968 178.183 176.300 -0.140 0.000 1.066 603 M CA 2.051 57.215 55.300 -0.227 0.000 1.107 603 M CB -0.487 31.733 32.600 -0.633 0.000 1.356 603 M HN 0.247 nan 8.290 nan 0.000 0.406 604 A N -1.207 121.520 122.820 -0.155 0.000 1.902 604 A HA -0.195 4.113 4.320 -0.019 0.000 0.217 604 A C 2.011 179.596 177.584 0.003 0.000 1.181 604 A CA 1.992 53.950 52.037 -0.132 0.000 0.623 604 A CB -1.319 17.605 19.000 -0.127 0.000 0.818 604 A HN 0.781 nan 8.150 nan 0.000 0.443 605 H N -3.014 116.082 119.070 0.043 0.000 2.321 605 H HA -0.152 4.393 4.556 -0.019 0.000 0.300 605 H C 1.912 177.249 175.328 0.015 0.000 1.087 605 H CA 1.659 57.731 56.048 0.040 0.000 1.319 605 H CB -0.153 29.641 29.762 0.053 0.000 1.379 605 H HN 0.592 nan 8.280 nan 0.000 0.501 606 Y N 0.186 120.514 120.300 0.048 0.000 2.352 606 Y HA -0.160 4.379 4.550 -0.019 0.000 0.292 606 Y C 2.346 178.217 175.900 -0.048 0.000 1.136 606 Y CA 0.615 58.707 58.100 -0.013 0.000 1.227 606 Y CB -0.136 38.293 38.460 -0.053 0.000 0.991 606 Y HN 0.172 nan 8.280 nan 0.000 0.545 607 L N 0.492 121.738 121.223 0.039 0.000 2.027 607 L HA -0.158 4.171 4.340 -0.019 0.000 0.206 607 L C 2.285 179.076 176.870 -0.132 0.000 1.074 607 L CA 2.036 56.800 54.840 -0.127 0.000 0.745 607 L CB -0.934 40.924 42.059 -0.335 0.000 0.898 607 L HN 0.301 nan 8.230 nan 0.000 0.433 608 E N -0.437 119.743 120.200 -0.034 0.000 2.058 608 E HA -0.334 4.004 4.350 -0.019 0.000 0.194 608 E C 2.159 178.865 176.600 0.176 0.000 0.997 608 E CA 1.556 58.078 56.400 0.204 0.000 0.801 608 E CB -0.103 29.775 29.700 0.298 0.000 0.746 608 E HN 0.343 nan 8.360 nan 0.000 0.450 609 K N 0.585 121.014 120.400 0.047 0.000 2.097 609 K HA -0.041 4.267 4.320 -0.019 0.000 0.205 609 K C 1.760 178.372 176.600 0.020 0.000 1.050 609 K CA 1.379 57.657 56.287 -0.015 0.000 0.938 609 K CB -0.480 31.947 32.500 -0.122 0.000 0.718 609 K HN 0.227 nan 8.250 nan 0.000 0.442 610 A N 0.564 123.400 122.820 0.027 0.000 1.902 610 A HA -0.091 4.217 4.320 -0.019 0.000 0.217 610 A C 2.203 179.835 177.584 0.079 0.000 1.181 610 A CA 1.516 53.580 52.037 0.045 0.000 0.623 610 A CB -0.687 18.335 19.000 0.037 0.000 0.818 610 A HN 0.306 nan 8.150 nan 0.000 0.443 611 L N -0.645 120.625 121.223 0.078 0.000 2.046 611 L HA -0.190 4.139 4.340 -0.019 0.000 0.208 611 L C 2.557 179.697 176.870 0.450 0.000 1.077 611 L CA 1.132 56.107 54.840 0.225 0.000 0.747 611 L CB -0.474 41.514 42.059 -0.118 0.000 0.896 611 L HN 0.382 nan 8.230 nan 0.000 0.432 612 L N -0.804 120.617 121.223 0.330 0.000 2.093 612 L HA -0.193 4.136 4.340 -0.019 0.000 0.208 612 L C 2.157 179.107 176.870 0.133 0.000 1.085 612 L CA 0.900 55.881 54.840 0.235 0.000 0.755 612 L CB -0.591 41.472 42.059 0.007 0.000 0.904 612 L HN 0.253 nan 8.230 nan 0.000 0.435 613 D N -0.146 120.319 120.400 0.107 0.000 2.144 613 D HA -0.165 4.464 4.640 -0.019 0.000 0.200 613 D C 2.309 178.695 176.300 0.142 0.000 0.978 613 D CA 1.291 55.344 54.000 0.089 0.000 0.833 613 D CB -0.057 40.781 40.800 0.064 0.000 0.961 613 D HN 0.284 nan 8.370 nan 0.000 0.470 614 M N -0.157 119.558 119.600 0.191 0.000 2.175 614 M HA -0.099 4.369 4.480 -0.019 0.000 0.264 614 M C 2.269 178.765 176.300 0.327 0.000 1.063 614 M CA 0.985 56.423 55.300 0.230 0.000 1.119 614 M CB 0.032 32.652 32.600 0.034 0.000 1.377 614 M HN -0.100 nan 8.290 nan 0.000 0.415 615 R N -0.156 120.491 120.500 0.245 0.000 2.066 615 R HA -0.115 4.213 4.340 -0.019 0.000 0.232 615 R C 1.929 178.175 176.300 -0.089 0.000 1.131 615 R CA 2.004 57.979 56.100 -0.209 0.000 0.955 615 R CB -0.334 29.492 30.300 -0.791 0.000 0.851 615 R HN 0.227 nan 8.270 nan 0.000 0.432 616 T N 2.076 116.615 114.554 -0.025 0.000 2.684 616 T HA -0.187 4.151 4.350 -0.019 0.000 0.267 616 T C 1.708 176.453 174.700 0.075 0.000 1.036 616 T CA 1.470 63.571 62.100 0.002 0.000 1.148 616 T CB -0.322 68.552 68.868 0.010 0.000 0.863 616 T HN 0.186 nan 8.240 nan 0.000 0.436 617 L N 0.928 122.236 121.223 0.142 0.000 1.989 617 L HA -0.029 4.299 4.340 -0.019 0.000 0.211 617 L C 2.207 179.242 176.870 0.274 0.000 1.071 617 L CA 1.683 56.656 54.840 0.221 0.000 0.749 617 L CB -0.717 41.481 42.059 0.231 0.000 0.890 617 L HN 0.254 nan 8.230 nan 0.000 0.431 618 L N -1.082 120.306 121.223 0.275 0.000 2.046 618 L HA -0.224 4.104 4.340 -0.019 0.000 0.208 618 L C 2.627 179.642 176.870 0.242 0.000 1.077 618 L CA 1.387 56.404 54.840 0.296 0.000 0.747 618 L CB -0.585 41.727 42.059 0.422 0.000 0.896 618 L HN 0.403 nan 8.230 nan 0.000 0.432 619 Q N -0.189 119.736 119.800 0.207 0.000 2.297 619 Q HA -0.130 4.199 4.340 -0.019 0.000 0.204 619 Q C 1.435 177.449 176.000 0.022 0.000 0.962 619 Q CA 1.028 56.904 55.803 0.122 0.000 0.879 619 Q CB -0.090 28.686 28.738 0.064 0.000 0.947 619 Q HN 0.616 nan 8.270 nan 0.000 0.462 620 N N -0.308 118.371 118.700 -0.034 0.000 2.461 620 N HA -0.035 4.694 4.740 -0.019 0.000 0.188 620 N C -0.350 174.818 175.510 -0.569 0.000 1.134 620 N CA 0.123 53.018 53.050 -0.259 0.000 0.878 620 N CB 0.419 38.732 38.487 -0.289 0.000 0.972 620 N HN 0.179 nan 8.380 nan 0.000 0.456 621 H N -0.217 118.888 119.070 0.058 0.000 2.597 621 H HA 0.257 4.802 4.556 -0.019 0.000 0.225 621 H C -2.430 172.925 175.328 0.044 0.000 1.422 621 H CA -1.287 54.790 56.048 0.048 0.000 1.335 621 H CB 0.511 30.304 29.762 0.052 0.000 1.783 621 H HN 0.104 nan 8.280 nan 0.000 0.513 622 P HA 0.072 nan 4.420 nan 0.000 0.271 622 P C 0.998 178.337 177.300 0.066 0.000 1.238 622 P CA -0.083 63.058 63.100 0.067 0.000 0.794 622 P CB 1.596 33.318 31.700 0.038 0.000 0.959 623 R N 0.137 120.662 120.500 0.041 0.000 2.716 623 R HA 0.563 4.891 4.340 -0.019 0.000 0.202 623 R C 0.349 176.665 176.300 0.027 0.000 1.114 623 R CA -0.470 55.650 56.100 0.033 0.000 1.084 623 R CB -0.518 29.793 30.300 0.017 0.000 1.282 623 R HN 0.583 nan 8.270 nan 0.000 0.506 624 A N 1.312 124.144 122.820 0.020 0.000 2.567 624 A HA 0.128 4.436 4.320 -0.019 0.000 0.236 624 A C 0.008 177.601 177.584 0.015 0.000 1.088 624 A CA 0.314 52.361 52.037 0.017 0.000 0.776 624 A CB -0.132 18.875 19.000 0.012 0.000 1.033 624 A HN 0.652 nan 8.150 nan 0.000 0.513 625 K N 0.000 120.408 120.400 0.013 0.000 2.780 625 K HA 0.000 4.309 4.320 -0.019 0.000 0.191 625 K CA 0.000 56.294 56.287 0.011 0.000 0.838 625 K CB 0.000 32.505 32.500 0.008 0.000 1.064 625 K HN 0.000 nan 8.250 nan 0.000 0.543