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 2hld_1_A DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LNLEPGQVGI DATA SEQUENCE VLFGSDRLVK EGELVKRTGN IVDVPVGPGL LGRVVDALGN PIDGKGPIDA DATA SEQUENCE AGRSRAQVKA PGILPRRSVH EPVQTGLKAV DALVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTAVALDTI LNQKRWNNGS DESKKLYCVY VAVGQKRSTV AQLVQTLEQH DATA SEQUENCE DAMKYSIIVA ATASEAAPLQ YLAPFTAASI GEWFRDNGKH ALIVYDDLSK DATA SEQUENCE QAVAYRQLSL LLRRPPGREA YPGDVFYLHS RLLERAAKLS EKEGSGSLTA DATA SEQUENCE LPVIETQGGD VSAYIPTNVI SITDGQIFLE AELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQVKAL KQVAGSLKLF LAQYREVAAF AQXXSDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVAT 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 26 N HA 0.000 nan 4.740 nan 0.000 0.220 26 N C 0.000 175.503 175.510 -0.012 0.000 1.280 26 N CA 0.000 53.046 53.050 -0.006 0.000 0.885 26 N CB 0.000 38.478 38.487 -0.015 0.000 1.341 27 L N 0.228 121.440 121.223 -0.017 0.000 5.174 27 L HA -0.278 4.062 4.340 -0.000 0.000 0.420 27 L C 0.206 177.028 176.870 -0.079 0.000 0.973 27 L CA 1.297 56.109 54.840 -0.047 0.000 1.381 27 L CB -1.424 40.613 42.059 -0.038 0.000 1.819 27 L HN 0.297 nan 8.230 nan 0.000 0.645 28 N N -0.783 117.882 118.700 -0.059 0.000 2.445 28 N HA 0.059 4.798 4.740 -0.000 0.000 0.204 28 N C 1.245 176.720 175.510 -0.059 0.000 1.098 28 N CA 0.696 53.709 53.050 -0.062 0.000 0.859 28 N CB 0.385 38.844 38.487 -0.046 0.000 1.249 28 N HN 0.366 nan 8.380 nan 0.000 0.462 29 E N 0.176 120.345 120.200 -0.051 0.000 2.562 29 E HA 0.138 4.487 4.350 -0.000 0.000 0.214 29 E C 0.163 176.726 176.600 -0.060 0.000 0.979 29 E CA 0.268 56.638 56.400 -0.051 0.000 1.002 29 E CB 1.112 30.789 29.700 -0.038 0.000 1.048 29 E HN 0.304 nan 8.360 nan 0.000 0.488 30 T N -2.024 112.495 114.554 -0.059 0.000 2.901 30 T HA 0.800 5.150 4.350 -0.000 0.000 0.293 30 T C 0.232 174.896 174.700 -0.060 0.000 1.084 30 T CA -0.813 61.251 62.100 -0.060 0.000 1.008 30 T CB 2.566 71.413 68.868 -0.035 0.000 1.170 30 T HN -0.003 nan 8.240 nan 0.000 0.509 31 G N 0.287 109.053 108.800 -0.056 0.000 2.690 31 G HA2 0.638 4.597 3.960 -0.000 0.000 0.291 31 G HA3 0.638 4.597 3.960 -0.000 0.000 0.291 31 G C -1.557 173.358 174.900 0.026 0.000 1.403 31 G CA -1.024 44.065 45.100 -0.018 0.000 0.864 31 G HN 0.614 nan 8.290 nan 0.000 0.480 32 R N 0.008 120.572 120.500 0.106 0.000 2.460 32 R HA 0.497 4.837 4.340 -0.000 0.000 0.303 32 R C -0.258 176.114 176.300 0.120 0.000 0.968 32 R CA -1.000 55.164 56.100 0.107 0.000 0.889 32 R CB 1.679 32.050 30.300 0.117 0.000 1.123 32 R HN 0.307 nan 8.270 nan 0.000 0.455 33 V N 5.492 125.473 119.914 0.112 0.000 2.446 33 V HA 0.005 4.125 4.120 -0.000 0.000 0.276 33 V C 1.988 178.132 176.094 0.083 0.000 1.030 33 V CA 0.217 62.593 62.300 0.127 0.000 1.033 33 V CB 0.247 32.166 31.823 0.159 0.000 0.993 33 V HN 0.655 nan 8.190 nan 0.000 0.477 34 L N 4.168 125.442 121.223 0.084 0.000 2.023 34 L HA 0.196 4.536 4.340 -0.000 0.000 0.205 34 L C 1.057 177.946 176.870 0.031 0.000 1.073 34 L CA 1.658 56.526 54.840 0.047 0.000 0.745 34 L CB -0.040 42.057 42.059 0.065 0.000 0.900 34 L HN 0.791 nan 8.230 nan 0.000 0.435 35 A N -1.399 121.446 122.820 0.041 0.000 2.606 35 A HA 0.639 4.959 4.320 -0.000 0.000 0.293 35 A C -1.688 175.911 177.584 0.024 0.000 1.082 35 A CA -0.359 51.693 52.037 0.024 0.000 0.685 35 A CB 2.069 21.078 19.000 0.015 0.000 1.284 35 A HN -0.171 nan 8.150 nan 0.000 0.408 36 V N 0.124 120.040 119.914 0.004 0.000 2.817 36 V HA 0.883 5.003 4.120 -0.000 0.000 0.303 36 V C -0.296 175.783 176.094 -0.025 0.000 1.151 36 V CA 0.841 63.132 62.300 -0.016 0.000 0.929 36 V CB 1.860 33.659 31.823 -0.039 0.000 1.030 36 V HN 2.369 nan 8.190 nan 0.000 0.427 37 G N 3.490 112.273 108.800 -0.029 0.000 2.473 37 G HA2 0.513 4.473 3.960 -0.000 0.000 0.298 37 G HA3 0.513 4.473 3.960 -0.000 0.000 0.298 37 G C -0.966 173.918 174.900 -0.027 0.000 1.575 37 G CA 0.094 45.178 45.100 -0.028 0.000 0.846 37 G HN 0.991 nan 8.290 nan 0.000 0.585 38 D N -0.261 120.123 120.400 -0.026 0.000 2.708 38 D HA -0.171 4.468 4.640 -0.000 0.000 0.236 38 D C 1.608 177.895 176.300 -0.022 0.000 1.146 38 D CA 2.544 56.532 54.000 -0.021 0.000 0.662 38 D CB -1.278 39.510 40.800 -0.021 0.000 1.059 38 D HN 2.290 nan 8.370 nan 0.000 0.428 39 G N -1.197 107.585 108.800 -0.029 0.000 2.189 39 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.267 39 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.267 39 G C 0.266 175.147 174.900 -0.031 0.000 0.975 39 G CA 0.519 45.603 45.100 -0.027 0.000 0.644 39 G HN 0.511 nan 8.290 nan 0.000 0.537 40 I N 0.767 121.319 120.570 -0.031 0.000 2.493 40 I HA 0.763 4.933 4.170 -0.000 0.000 0.298 40 I C 0.415 176.523 176.117 -0.015 0.000 0.998 40 I CA -0.927 60.363 61.300 -0.018 0.000 1.137 40 I CB 1.512 39.503 38.000 -0.015 0.000 1.310 40 I HN 0.414 nan 8.210 nan 0.000 0.445 41 A N 6.808 129.641 122.820 0.022 0.000 2.374 41 A HA 0.752 5.072 4.320 -0.000 0.000 0.305 41 A C -0.468 177.175 177.584 0.098 0.000 1.053 41 A CA -0.751 51.325 52.037 0.065 0.000 0.726 41 A CB 1.350 20.416 19.000 0.111 0.000 1.229 41 A HN 0.706 nan 8.150 nan 0.000 0.431 42 R N 1.231 121.781 120.500 0.083 0.000 2.338 42 R HA 0.620 4.960 4.340 -0.000 0.000 0.317 42 R C -1.234 175.126 176.300 0.101 0.000 0.968 42 R CA -0.436 55.708 56.100 0.075 0.000 0.849 42 R CB 1.922 32.254 30.300 0.054 0.000 1.128 42 R HN 0.459 nan 8.270 nan 0.000 0.448 43 V N 4.106 124.077 119.914 0.095 0.000 2.656 43 V HA 0.370 4.490 4.120 -0.000 0.000 0.307 43 V C -0.771 175.399 176.094 0.126 0.000 1.051 43 V CA -0.903 61.460 62.300 0.105 0.000 0.893 43 V CB 1.881 33.733 31.823 0.048 0.000 0.999 43 V HN 0.552 nan 8.190 nan 0.000 0.426 44 F N 3.437 123.384 119.950 -0.004 0.000 2.385 44 F HA 0.756 5.282 4.527 -0.000 0.000 0.336 44 F C 0.884 176.673 175.800 -0.020 0.000 1.100 44 F CA 1.355 59.349 58.000 -0.009 0.000 1.116 44 F CB 1.183 40.181 39.000 -0.004 0.000 1.166 44 F HN 0.932 nan 8.300 nan 0.000 0.511 45 G N 4.117 112.544 108.800 -0.622 0.000 2.496 45 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.243 45 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.243 45 G C 0.121 174.885 174.900 -0.226 0.000 1.176 45 G CA -0.366 44.479 45.100 -0.425 0.000 0.940 45 G HN 1.443 nan 8.290 nan 0.000 0.573 46 L N -0.449 120.684 121.223 -0.149 0.000 3.678 46 L HA -0.225 4.115 4.340 -0.000 0.000 0.425 46 L C 1.587 178.390 176.870 -0.112 0.000 1.240 46 L CA 0.557 55.327 54.840 -0.115 0.000 0.876 46 L CB -1.449 40.546 42.059 -0.107 0.000 1.766 46 L HN 0.640 nan 8.230 nan 0.000 0.917 47 N N 0.294 118.920 118.700 -0.123 0.000 2.205 47 N HA -0.116 4.623 4.740 -0.000 0.000 0.186 47 N C 1.246 176.711 175.510 -0.075 0.000 1.015 47 N CA 1.515 54.499 53.050 -0.110 0.000 0.862 47 N CB -0.144 38.275 38.487 -0.114 0.000 0.986 47 N HN 0.516 nan 8.380 nan 0.000 0.429 48 N N 0.335 118.996 118.700 -0.065 0.000 2.268 48 N HA 0.144 4.883 4.740 -0.000 0.000 0.204 48 N C 0.207 175.691 175.510 -0.043 0.000 1.124 48 N CA -0.119 52.902 53.050 -0.048 0.000 0.838 48 N CB 0.608 39.070 38.487 -0.041 0.000 0.994 48 N HN 0.316 nan 8.380 nan 0.000 0.489 49 I N 0.815 121.355 120.570 -0.050 0.000 2.882 49 I HA -0.020 4.150 4.170 -0.000 0.000 0.286 49 I C 0.122 176.221 176.117 -0.030 0.000 1.139 49 I CA -0.250 61.024 61.300 -0.044 0.000 1.379 49 I CB 0.750 38.717 38.000 -0.055 0.000 1.410 49 I HN -0.001 nan 8.210 nan 0.000 0.594 50 Q N 4.575 124.363 119.800 -0.021 0.000 2.235 50 Q HA 0.514 4.854 4.340 -0.000 0.000 0.256 50 Q C -0.357 175.641 176.000 -0.003 0.000 0.951 50 Q CA -0.960 54.837 55.803 -0.010 0.000 0.890 50 Q CB 1.650 30.386 28.738 -0.004 0.000 1.279 50 Q HN 0.754 nan 8.270 nan 0.000 0.444 51 A N 2.196 125.018 122.820 0.004 0.000 2.546 51 A HA 0.006 4.326 4.320 -0.000 0.000 0.243 51 A C 0.181 177.779 177.584 0.024 0.000 1.063 51 A CA 0.423 52.468 52.037 0.014 0.000 0.757 51 A CB -0.263 18.750 19.000 0.021 0.000 0.991 51 A HN 0.986 nan 8.150 nan 0.000 0.503 52 E N -0.502 119.719 120.200 0.034 0.000 3.413 52 E HA -0.202 4.148 4.350 -0.000 0.000 0.300 52 E C 0.175 176.804 176.600 0.048 0.000 0.891 52 E CA 1.164 57.597 56.400 0.054 0.000 1.050 52 E CB -1.431 28.302 29.700 0.055 0.000 1.534 52 E HN 0.935 nan 8.360 nan 0.000 0.436 53 E N 0.832 121.047 120.200 0.024 0.000 2.366 53 E HA 0.273 4.623 4.350 -0.000 0.000 0.266 53 E C -0.374 176.233 176.600 0.012 0.000 1.051 53 E CA -0.466 55.943 56.400 0.016 0.000 0.884 53 E CB 0.651 30.348 29.700 -0.006 0.000 1.006 53 E HN 0.073 nan 8.360 nan 0.000 0.417 54 L N 4.974 126.212 121.223 0.025 0.000 2.397 54 L HA 0.248 4.588 4.340 -0.000 0.000 0.271 54 L C -0.553 176.295 176.870 -0.035 0.000 1.148 54 L CA 0.009 54.861 54.840 0.021 0.000 0.825 54 L CB 1.277 43.385 42.059 0.083 0.000 1.117 54 L HN 0.429 nan 8.230 nan 0.000 0.456 55 V N 1.043 120.904 119.914 -0.087 0.000 3.141 55 V HA 0.732 4.852 4.120 -0.000 0.000 0.312 55 V C -0.956 175.056 176.094 -0.136 0.000 1.157 55 V CA -0.817 61.394 62.300 -0.149 0.000 1.041 55 V CB 1.879 33.546 31.823 -0.260 0.000 1.071 55 V HN 0.839 nan 8.190 nan 0.000 0.441 56 E N 0.597 120.678 120.200 -0.199 0.000 2.263 56 E HA 0.550 4.900 4.350 -0.000 0.000 0.268 56 E C -1.955 174.537 176.600 -0.180 0.000 0.884 56 E CA -0.606 55.744 56.400 -0.083 0.000 0.766 56 E CB 1.827 31.517 29.700 -0.017 0.000 1.196 56 E HN 0.618 nan 8.360 nan 0.000 0.416 57 F N 1.728 121.667 119.950 -0.017 0.000 2.377 57 F HA 0.200 4.727 4.527 -0.000 0.000 0.328 57 F C 1.833 177.633 175.800 0.000 0.000 1.094 57 F CA -0.294 57.700 58.000 -0.010 0.000 1.093 57 F CB 1.538 40.530 39.000 -0.013 0.000 1.214 57 F HN 0.501 nan 8.300 nan 0.000 0.518 58 S N 0.375 116.182 115.700 0.178 0.000 2.389 58 S HA -0.270 4.199 4.470 -0.000 0.000 0.231 58 S C 2.115 176.776 174.600 0.101 0.000 1.052 58 S CA 1.985 60.248 58.200 0.106 0.000 1.053 58 S CB -0.591 62.663 63.200 0.089 0.000 0.886 58 S HN 0.764 nan 8.310 nan 0.000 0.456 59 S N 0.037 115.809 115.700 0.121 0.000 2.522 59 S HA 0.322 4.792 4.470 -0.000 0.000 0.227 59 S C 1.567 176.212 174.600 0.075 0.000 0.986 59 S CA 0.977 59.223 58.200 0.076 0.000 0.929 59 S CB 0.062 63.290 63.200 0.047 0.000 0.769 59 S HN 0.867 nan 8.310 nan 0.000 0.529 60 G N 0.005 108.869 108.800 0.107 0.000 2.316 60 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.203 60 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.203 60 G C 0.121 175.090 174.900 0.115 0.000 0.999 60 G CA -0.131 45.026 45.100 0.095 0.000 0.649 60 G HN 0.811 nan 8.290 nan 0.000 0.489 61 V N 1.722 121.706 119.914 0.116 0.000 2.924 61 V HA 0.596 4.715 4.120 -0.000 0.000 0.305 61 V C 0.547 176.772 176.094 0.219 0.000 1.073 61 V CA 0.364 62.731 62.300 0.112 0.000 1.098 61 V CB 1.241 33.059 31.823 -0.008 0.000 1.000 61 V HN 0.373 nan 8.190 nan 0.000 0.484 62 K N 3.148 123.659 120.400 0.185 0.000 2.313 62 K HA 0.889 5.209 4.320 -0.000 0.000 0.235 62 K C -0.240 176.248 176.600 -0.187 0.000 1.035 62 K CA -0.293 56.069 56.287 0.126 0.000 0.868 62 K CB 2.048 34.665 32.500 0.196 0.000 1.232 62 K HN 0.976 nan 8.250 nan 0.000 0.459 63 G N 0.316 108.833 108.800 -0.472 0.000 2.451 63 G HA2 0.398 4.357 3.960 -0.000 0.000 0.292 63 G HA3 0.398 4.357 3.960 -0.000 0.000 0.292 63 G C -1.606 172.969 174.900 -0.541 0.000 1.427 63 G CA -0.959 43.613 45.100 -0.881 0.000 0.792 63 G HN 0.531 nan 8.290 nan 0.000 0.498 64 M N -0.368 119.016 119.600 -0.361 0.000 2.535 64 M HA 0.841 5.321 4.480 -0.000 0.000 0.314 64 M C -0.198 176.089 176.300 -0.022 0.000 1.153 64 M CA -1.102 54.144 55.300 -0.090 0.000 0.924 64 M CB 2.586 35.236 32.600 0.083 0.000 1.710 64 M HN 1.056 nan 8.290 nan 0.000 0.451 65 A N 3.484 126.299 122.820 -0.007 0.000 2.666 65 A HA 0.482 4.802 4.320 -0.000 0.000 0.312 65 A C 0.569 178.163 177.584 0.017 0.000 1.471 65 A CA -0.648 51.387 52.037 -0.003 0.000 1.134 65 A CB -0.479 18.509 19.000 -0.020 0.000 1.129 65 A HN 1.026 nan 8.150 nan 0.000 0.539 66 L N 1.001 122.236 121.223 0.020 0.000 2.162 66 L HA 0.042 4.382 4.340 -0.000 0.000 0.205 66 L C 0.305 177.184 176.870 0.013 0.000 1.086 66 L CA 0.555 55.410 54.840 0.024 0.000 0.778 66 L CB -0.064 42.001 42.059 0.009 0.000 0.928 66 L HN 0.566 nan 8.230 nan 0.000 0.446 67 N N 0.530 119.232 118.700 0.003 0.000 2.444 67 N HA 0.377 5.117 4.740 -0.000 0.000 0.262 67 N C -1.092 174.417 175.510 -0.001 0.000 0.974 67 N CA -0.091 52.959 53.050 0.001 0.000 0.933 67 N CB 1.139 39.623 38.487 -0.005 0.000 1.137 67 N HN 0.006 nan 8.380 nan 0.000 0.498 68 L N 2.056 123.278 121.223 -0.002 0.000 2.264 68 L HA 0.447 4.787 4.340 -0.000 0.000 0.287 68 L C 0.329 177.194 176.870 -0.009 0.000 1.039 68 L CA -0.452 54.382 54.840 -0.010 0.000 0.829 68 L CB 0.717 42.768 42.059 -0.014 0.000 1.211 68 L HN 0.381 nan 8.230 nan 0.000 0.427 69 E N 3.208 123.402 120.200 -0.010 0.000 2.243 69 E HA 0.334 4.684 4.350 -0.000 0.000 0.260 69 E C -1.638 174.955 176.600 -0.011 0.000 0.985 69 E CA -1.700 54.697 56.400 -0.005 0.000 0.858 69 E CB 1.360 31.062 29.700 0.004 0.000 1.210 69 E HN 0.275 nan 8.360 nan 0.000 0.411 70 P HA -0.195 nan 4.420 nan 0.000 0.216 70 P C 0.745 178.036 177.300 -0.015 0.000 1.167 70 P CA 1.574 64.669 63.100 -0.008 0.000 0.914 70 P CB 0.145 31.848 31.700 0.004 0.000 0.793 71 G N -2.331 106.475 108.800 0.009 0.000 3.519 71 G HA2 0.205 4.165 3.960 -0.000 0.000 0.269 71 G HA3 0.205 4.165 3.960 -0.000 0.000 0.269 71 G C -0.029 174.884 174.900 0.021 0.000 1.028 71 G CA -0.124 44.985 45.100 0.015 0.000 0.809 71 G HN 0.443 nan 8.290 nan 0.000 0.521 72 Q N -1.286 118.520 119.800 0.010 0.000 2.590 72 Q HA 0.683 5.023 4.340 -0.000 0.000 0.295 72 Q C -2.102 173.898 176.000 -0.001 0.000 0.973 72 Q CA -0.961 54.862 55.803 0.034 0.000 0.768 72 Q CB 2.131 30.922 28.738 0.087 0.000 1.479 72 Q HN -0.092 nan 8.270 nan 0.000 0.419 73 V N 0.506 120.423 119.914 0.005 0.000 2.531 73 V HA 0.681 4.800 4.120 -0.000 0.000 0.301 73 V C -0.040 176.064 176.094 0.016 0.000 1.034 73 V CA -0.348 61.950 62.300 -0.004 0.000 0.865 73 V CB 1.774 33.581 31.823 -0.027 0.000 0.995 73 V HN 0.860 nan 8.190 nan 0.000 0.424 74 G N 4.852 113.659 108.800 0.012 0.000 2.327 74 G HA2 0.655 4.615 3.960 -0.000 0.000 0.302 74 G HA3 0.655 4.615 3.960 -0.000 0.000 0.302 74 G C -0.761 174.150 174.900 0.020 0.000 1.113 74 G CA -0.239 44.872 45.100 0.018 0.000 0.921 74 G HN 0.601 nan 8.290 nan 0.000 0.425 75 I N 2.827 123.424 120.570 0.045 0.000 2.362 75 I HA 0.226 4.395 4.170 -0.000 0.000 0.289 75 I C 0.402 176.543 176.117 0.041 0.000 0.994 75 I CA -1.060 60.272 61.300 0.052 0.000 1.158 75 I CB 2.183 40.254 38.000 0.118 0.000 1.315 75 I HN 0.394 nan 8.210 nan 0.000 0.451 76 V N 5.792 125.712 119.914 0.010 0.000 2.583 76 V HA 0.466 4.586 4.120 -0.000 0.000 0.287 76 V C -0.080 175.993 176.094 -0.035 0.000 1.051 76 V CA -0.494 61.811 62.300 0.008 0.000 1.010 76 V CB 0.832 32.682 31.823 0.045 0.000 0.988 76 V HN 0.517 nan 8.190 nan 0.000 0.478 77 L N 3.965 125.174 121.223 -0.022 0.000 2.360 77 L HA 0.471 4.811 4.340 -0.000 0.000 0.271 77 L C 0.631 177.572 176.870 0.119 0.000 1.057 77 L CA -0.551 54.247 54.840 -0.070 0.000 0.803 77 L CB 1.105 43.092 42.059 -0.120 0.000 1.207 77 L HN 0.572 nan 8.230 nan 0.000 0.445 78 F N 0.226 120.208 119.950 0.053 0.000 2.776 78 F HA 0.296 4.823 4.527 -0.000 0.000 0.300 78 F C 1.160 176.980 175.800 0.032 0.000 1.116 78 F CA -0.547 57.489 58.000 0.059 0.000 1.375 78 F CB -0.142 38.903 39.000 0.075 0.000 1.109 78 F HN 0.452 nan 8.300 nan 0.000 0.585 79 G N -1.285 107.612 108.800 0.162 0.000 2.866 79 G HA2 0.358 4.318 3.960 -0.000 0.000 0.289 79 G HA3 0.358 4.318 3.960 -0.000 0.000 0.289 79 G C -0.997 173.912 174.900 0.014 0.000 1.396 79 G CA -0.671 44.477 45.100 0.081 0.000 0.848 79 G HN -0.120 nan 8.290 nan 0.000 0.515 80 S N -0.810 114.891 115.700 0.002 0.000 2.549 80 S HA 0.128 4.598 4.470 -0.000 0.000 0.286 80 S C 1.245 175.807 174.600 -0.063 0.000 1.314 80 S CA 0.541 58.729 58.200 -0.020 0.000 1.062 80 S CB 0.527 63.719 63.200 -0.012 0.000 0.865 80 S HN 0.569 nan 8.310 nan 0.000 0.498 81 D N 3.513 123.870 120.400 -0.072 0.000 2.363 81 D HA -0.064 4.575 4.640 -0.000 0.000 0.220 81 D C 1.626 177.872 176.300 -0.090 0.000 0.994 81 D CA 0.243 54.176 54.000 -0.111 0.000 0.890 81 D CB -0.187 40.553 40.800 -0.099 0.000 0.906 81 D HN 0.633 nan 8.370 nan 0.000 0.530 82 R N 0.424 120.890 120.500 -0.057 0.000 2.211 82 R HA -0.078 4.262 4.340 -0.000 0.000 0.240 82 R C 1.354 177.626 176.300 -0.047 0.000 1.144 82 R CA 0.862 56.937 56.100 -0.042 0.000 0.992 82 R CB -0.215 30.069 30.300 -0.025 0.000 0.869 82 R HN 0.289 nan 8.270 nan 0.000 0.462 83 L N -0.051 121.132 121.223 -0.067 0.000 2.375 83 L HA 0.116 4.455 4.340 -0.000 0.000 0.215 83 L C 0.185 177.004 176.870 -0.085 0.000 1.108 83 L CA -0.020 54.782 54.840 -0.063 0.000 0.830 83 L CB 0.597 42.619 42.059 -0.061 0.000 0.959 83 L HN -0.080 nan 8.230 nan 0.000 0.457 84 V N 0.361 120.187 119.914 -0.145 0.000 2.539 84 V HA 0.296 4.415 4.120 -0.000 0.000 0.292 84 V C -0.096 175.959 176.094 -0.065 0.000 1.045 84 V CA -0.672 61.535 62.300 -0.154 0.000 0.945 84 V CB 1.575 33.177 31.823 -0.368 0.000 0.993 84 V HN 0.118 nan 8.190 nan 0.000 0.464 85 K N 2.257 122.652 120.400 -0.009 0.000 2.435 85 K HA 0.415 4.735 4.320 -0.000 0.000 0.251 85 K C -0.490 176.129 176.600 0.031 0.000 0.954 85 K CA -0.841 55.450 56.287 0.006 0.000 0.820 85 K CB 2.673 35.180 32.500 0.011 0.000 1.292 85 K HN 0.798 nan 8.250 nan 0.000 0.436 86 E N 0.357 120.570 120.200 0.021 0.000 2.502 86 E HA -0.036 4.314 4.350 -0.000 0.000 0.261 86 E C 0.561 177.179 176.600 0.030 0.000 0.974 86 E CA 1.429 57.846 56.400 0.027 0.000 0.936 86 E CB 0.185 29.892 29.700 0.011 0.000 0.926 86 E HN 0.775 nan 8.360 nan 0.000 0.459 87 G N 3.594 112.417 108.800 0.038 0.000 2.234 87 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.235 87 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.235 87 G C 0.218 175.147 174.900 0.048 0.000 0.997 87 G CA 0.299 45.418 45.100 0.031 0.000 0.623 87 G HN 0.684 nan 8.290 nan 0.000 0.514 88 E N 0.590 120.831 120.200 0.069 0.000 2.392 88 E HA 0.428 4.778 4.350 -0.000 0.000 0.264 88 E C 0.426 177.080 176.600 0.089 0.000 1.024 88 E CA -0.721 55.730 56.400 0.086 0.000 0.903 88 E CB 0.439 30.210 29.700 0.118 0.000 0.963 88 E HN 0.369 nan 8.360 nan 0.000 0.432 89 L N 4.612 125.872 121.223 0.062 0.000 2.426 89 L HA 0.207 4.546 4.340 -0.000 0.000 0.271 89 L C -1.109 175.750 176.870 -0.019 0.000 1.169 89 L CA 0.015 54.869 54.840 0.024 0.000 0.836 89 L CB 1.190 43.257 42.059 0.014 0.000 1.112 89 L HN 0.357 nan 8.230 nan 0.000 0.465 90 V N 4.482 124.330 119.914 -0.109 0.000 2.638 90 V HA 0.490 4.610 4.120 -0.000 0.000 0.306 90 V C -0.473 175.488 176.094 -0.221 0.000 1.052 90 V CA -0.954 61.164 62.300 -0.304 0.000 0.885 90 V CB 1.746 33.291 31.823 -0.464 0.000 0.999 90 V HN 0.686 nan 8.190 nan 0.000 0.424 91 K N 3.508 123.776 120.400 -0.221 0.000 2.221 91 K HA 0.639 4.958 4.320 -0.000 0.000 0.258 91 K C -0.191 176.323 176.600 -0.143 0.000 0.944 91 K CA -0.858 55.346 56.287 -0.137 0.000 0.823 91 K CB 2.380 34.829 32.500 -0.085 0.000 1.113 91 K HN 0.563 nan 8.250 nan 0.000 0.431 92 R N 0.128 120.565 120.500 -0.105 0.000 2.863 92 R HA 0.004 4.344 4.340 -0.000 0.000 0.273 92 R C 1.074 177.340 176.300 -0.057 0.000 1.057 92 R CA 0.580 56.630 56.100 -0.082 0.000 1.191 92 R CB 0.208 30.471 30.300 -0.061 0.000 1.104 92 R HN 0.823 nan 8.270 nan 0.000 0.519 93 T N -3.517 111.014 114.554 -0.039 0.000 3.016 93 T HA 0.188 4.538 4.350 -0.000 0.000 0.271 93 T C 1.261 175.955 174.700 -0.010 0.000 0.968 93 T CA 0.241 62.331 62.100 -0.017 0.000 0.891 93 T CB 0.737 69.604 68.868 -0.001 0.000 1.149 93 T HN 0.814 nan 8.240 nan 0.000 0.524 94 G N 2.199 110.990 108.800 -0.015 0.000 2.189 94 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.267 94 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.267 94 G C -0.148 174.752 174.900 -0.000 0.000 0.975 94 G CA 0.179 45.273 45.100 -0.010 0.000 0.644 94 G HN 0.642 nan 8.290 nan 0.000 0.537 95 N N 0.895 119.599 118.700 0.007 0.000 2.446 95 N HA 0.444 5.184 4.740 -0.000 0.000 0.265 95 N C 0.536 176.062 175.510 0.027 0.000 0.975 95 N CA -0.650 52.410 53.050 0.018 0.000 0.928 95 N CB 1.196 39.698 38.487 0.025 0.000 1.160 95 N HN 0.068 nan 8.380 nan 0.000 0.495 96 I N 1.571 122.155 120.570 0.024 0.000 2.880 96 I HA -0.078 4.092 4.170 -0.000 0.000 0.296 96 I C 0.967 177.111 176.117 0.044 0.000 1.220 96 I CA -0.070 61.248 61.300 0.031 0.000 1.435 96 I CB -0.186 37.825 38.000 0.019 0.000 1.339 96 I HN 0.161 nan 8.210 nan 0.000 0.583 97 V N 6.545 126.497 119.914 0.064 0.000 2.584 97 V HA -0.030 4.089 4.120 -0.000 0.000 0.303 97 V C 0.334 176.454 176.094 0.044 0.000 1.035 97 V CA 0.236 62.584 62.300 0.080 0.000 1.172 97 V CB -0.182 31.704 31.823 0.106 0.000 0.896 97 V HN 0.951 nan 8.190 nan 0.000 0.486 98 D N 3.658 124.084 120.400 0.043 0.000 2.652 98 D HA 0.703 5.343 4.640 -0.000 0.000 0.285 98 D C -1.002 175.311 176.300 0.022 0.000 1.173 98 D CA -0.739 53.278 54.000 0.028 0.000 0.981 98 D CB 2.188 43.003 40.800 0.025 0.000 1.440 98 D HN 0.421 nan 8.370 nan 0.000 0.485 99 V N -0.417 119.507 119.914 0.016 0.000 3.012 99 V HA 0.561 4.681 4.120 -0.000 0.000 0.307 99 V C -2.765 173.327 176.094 -0.003 0.000 1.166 99 V CA -2.076 60.228 62.300 0.007 0.000 0.974 99 V CB 2.456 34.285 31.823 0.009 0.000 1.040 99 V HN 0.601 nan 8.190 nan 0.000 0.428 100 P HA 0.247 nan 4.420 nan 0.000 0.268 100 P C -0.800 176.460 177.300 -0.067 0.000 1.205 100 P CA 0.421 63.494 63.100 -0.044 0.000 0.771 100 P CB 1.129 32.798 31.700 -0.051 0.000 0.858 101 V N -1.092 118.753 119.914 -0.114 0.000 3.141 101 V HA 1.010 5.130 4.120 -0.000 0.000 0.312 101 V C -0.115 175.694 176.094 -0.475 0.000 1.157 101 V CA -0.197 61.986 62.300 -0.196 0.000 1.041 101 V CB 1.407 33.187 31.823 -0.073 0.000 1.071 101 V HN 1.015 nan 8.190 nan 0.000 0.441 102 G N 1.588 109.876 108.800 -0.853 0.000 2.371 102 G HA2 0.156 4.116 3.960 -0.000 0.000 0.663 102 G HA3 0.156 4.116 3.960 -0.000 0.000 0.663 102 G C -2.571 171.633 174.900 -1.160 0.000 1.311 102 G CA -0.013 44.111 45.100 -1.626 0.000 0.985 102 G HN 0.791 nan 8.290 nan 0.000 0.566 103 P HA 0.046 nan 4.420 nan 0.000 0.229 103 P C 1.870 179.008 177.300 -0.271 0.000 1.160 103 P CA 1.551 64.308 63.100 -0.573 0.000 0.777 103 P CB -0.172 31.265 31.700 -0.438 0.000 0.814 104 G N 0.544 109.164 108.800 -0.301 0.000 2.516 104 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.221 104 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.221 104 G C 1.435 176.270 174.900 -0.109 0.000 1.107 104 G CA 0.312 45.311 45.100 -0.169 0.000 0.747 104 G HN 0.284 nan 8.290 nan 0.000 0.567 105 L N -0.150 121.005 121.223 -0.113 0.000 2.509 105 L HA 0.303 4.643 4.340 -0.000 0.000 0.222 105 L C 0.915 177.794 176.870 0.014 0.000 1.123 105 L CA -0.367 54.446 54.840 -0.045 0.000 0.856 105 L CB 0.003 42.038 42.059 -0.039 0.000 0.985 105 L HN 0.089 nan 8.230 nan 0.000 0.456 106 L N 0.458 121.704 121.223 0.039 0.000 2.499 106 L HA 0.092 4.432 4.340 -0.000 0.000 0.273 106 L C 1.391 178.289 176.870 0.046 0.000 1.195 106 L CA 0.719 55.611 54.840 0.086 0.000 0.882 106 L CB 0.151 42.294 42.059 0.141 0.000 1.133 106 L HN 0.358 nan 8.230 nan 0.000 0.483 107 G N 2.015 110.833 108.800 0.029 0.000 2.162 107 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.260 107 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.260 107 G C 0.295 175.191 174.900 -0.006 0.000 0.976 107 G CA -0.317 44.781 45.100 -0.005 0.000 0.655 107 G HN 0.483 nan 8.290 nan 0.000 0.533 108 R N -0.412 120.090 120.500 0.004 0.000 2.598 108 R HA 0.663 5.002 4.340 -0.000 0.000 0.279 108 R C -0.176 176.127 176.300 0.006 0.000 0.984 108 R CA -0.755 55.345 56.100 0.000 0.000 0.999 108 R CB 1.689 31.987 30.300 -0.004 0.000 1.114 108 R HN 0.190 nan 8.270 nan 0.000 0.493 109 V N 2.978 122.894 119.914 0.004 0.000 2.357 109 V HA 0.358 4.478 4.120 -0.000 0.000 0.284 109 V C 0.202 176.302 176.094 0.010 0.000 1.018 109 V CA -0.736 61.571 62.300 0.012 0.000 0.841 109 V CB 1.391 33.220 31.823 0.009 0.000 0.991 109 V HN 0.585 nan 8.190 nan 0.000 0.437 110 V N 1.365 121.287 119.914 0.013 0.000 2.960 110 V HA 0.826 4.946 4.120 -0.000 0.000 0.315 110 V C -0.277 175.820 176.094 0.005 0.000 1.087 110 V CA -0.875 61.428 62.300 0.005 0.000 0.982 110 V CB 2.066 33.890 31.823 0.001 0.000 1.039 110 V HN 0.777 nan 8.190 nan 0.000 0.437 111 D N 2.149 122.545 120.400 -0.005 0.000 2.440 111 D HA 0.487 5.126 4.640 -0.000 0.000 0.269 111 D C 1.191 177.472 176.300 -0.031 0.000 1.249 111 D CA 0.094 54.085 54.000 -0.016 0.000 1.055 111 D CB 0.852 41.639 40.800 -0.021 0.000 1.104 111 D HN 0.810 nan 8.370 nan 0.000 0.561 112 A N -0.977 121.809 122.820 -0.058 0.000 2.121 112 A HA 0.021 4.341 4.320 -0.000 0.000 0.218 112 A C 2.017 179.551 177.584 -0.084 0.000 1.154 112 A CA 0.763 52.755 52.037 -0.074 0.000 0.679 112 A CB -0.756 18.177 19.000 -0.111 0.000 0.795 112 A HN 0.499 nan 8.150 nan 0.000 0.458 113 L N -1.529 119.642 121.223 -0.087 0.000 2.667 113 L HA 0.313 4.653 4.340 -0.000 0.000 0.232 113 L C 1.361 178.215 176.870 -0.028 0.000 1.138 113 L CA 0.406 55.208 54.840 -0.063 0.000 0.921 113 L CB 0.115 42.130 42.059 -0.073 0.000 1.180 113 L HN 0.467 nan 8.230 nan 0.000 0.487 114 G N 0.376 109.162 108.800 -0.024 0.000 2.160 114 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.244 114 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.244 114 G C -0.096 174.796 174.900 -0.013 0.000 1.022 114 G CA -0.314 44.777 45.100 -0.015 0.000 0.741 114 G HN 0.390 nan 8.290 nan 0.000 0.508 115 N N 1.577 120.270 118.700 -0.012 0.000 2.499 115 N HA 0.383 5.123 4.740 -0.000 0.000 0.281 115 N C -2.483 173.024 175.510 -0.005 0.000 1.098 115 N CA -1.174 51.873 53.050 -0.006 0.000 0.979 115 N CB 1.631 40.117 38.487 -0.001 0.000 1.121 115 N HN 0.155 nan 8.380 nan 0.000 0.466 116 P HA 0.091 nan 4.420 nan 0.000 0.267 116 P C 0.474 177.774 177.300 0.000 0.000 1.209 116 P CA 0.027 63.125 63.100 -0.003 0.000 0.763 116 P CB 0.367 32.064 31.700 -0.005 0.000 0.816 117 I N -0.196 120.375 120.570 0.002 0.000 3.974 117 I HA 0.218 4.388 4.170 -0.000 0.000 0.334 117 I C 0.220 176.339 176.117 0.003 0.000 1.437 117 I CA -0.160 61.143 61.300 0.004 0.000 1.113 117 I CB -0.179 37.825 38.000 0.007 0.000 1.063 117 I HN 0.028 nan 8.210 nan 0.000 0.400 118 D N 0.615 121.015 120.400 0.001 0.000 2.395 118 D HA 0.204 4.844 4.640 -0.000 0.000 0.213 118 D C 1.584 177.883 176.300 -0.003 0.000 1.110 118 D CA 0.272 54.271 54.000 -0.002 0.000 0.835 118 D CB 0.268 41.065 40.800 -0.004 0.000 0.965 118 D HN 0.359 nan 8.370 nan 0.000 0.505 119 G N 0.895 109.694 108.800 -0.002 0.000 2.153 119 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.252 119 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.252 119 G C 0.743 175.641 174.900 -0.004 0.000 0.994 119 G CA 0.406 45.505 45.100 -0.002 0.000 0.698 119 G HN 0.446 nan 8.290 nan 0.000 0.521 120 K N 0.121 120.518 120.400 -0.005 0.000 2.437 120 K HA 0.474 4.793 4.320 -0.000 0.000 0.205 120 K C 1.341 177.936 176.600 -0.007 0.000 1.026 120 K CA 0.402 56.685 56.287 -0.006 0.000 1.153 120 K CB 0.491 32.986 32.500 -0.008 0.000 0.863 120 K HN 1.415 nan 8.250 nan 0.000 0.502 121 G N 2.224 111.021 108.800 -0.006 0.000 2.685 121 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.387 121 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.387 121 G C -2.843 172.051 174.900 -0.009 0.000 1.324 121 G CA -1.288 43.808 45.100 -0.007 0.000 0.878 121 G HN -0.018 nan 8.290 nan 0.000 0.527 122 P HA 0.458 nan 4.420 nan 0.000 0.272 122 P C 0.267 177.554 177.300 -0.021 0.000 1.223 122 P CA -0.453 62.639 63.100 -0.014 0.000 0.784 122 P CB 0.428 32.120 31.700 -0.013 0.000 0.923 123 I N 2.041 122.595 120.570 -0.026 0.000 2.395 123 I HA 0.123 4.293 4.170 -0.000 0.000 0.289 123 I C 0.209 176.295 176.117 -0.051 0.000 1.023 123 I CA -0.080 61.196 61.300 -0.040 0.000 1.350 123 I CB 0.407 38.381 38.000 -0.043 0.000 1.409 123 I HN 0.213 nan 8.210 nan 0.000 0.507 124 D N 5.452 125.813 120.400 -0.065 0.000 2.339 124 D HA 0.433 5.073 4.640 -0.000 0.000 0.241 124 D C 0.164 176.393 176.300 -0.118 0.000 1.183 124 D CA 0.065 54.018 54.000 -0.077 0.000 0.859 124 D CB 1.317 42.074 40.800 -0.073 0.000 1.067 124 D HN 0.611 nan 8.370 nan 0.000 0.484 125 A N 1.871 124.624 122.820 -0.111 0.000 2.306 125 A HA 0.617 4.937 4.320 -0.000 0.000 0.314 125 A C 1.085 178.575 177.584 -0.156 0.000 1.164 125 A CA -0.326 51.621 52.037 -0.149 0.000 0.822 125 A CB 1.241 20.179 19.000 -0.103 0.000 1.130 125 A HN 0.559 nan 8.150 nan 0.000 0.496 126 A N 1.768 124.447 122.820 -0.235 0.000 1.970 126 A HA 0.492 4.812 4.320 -0.000 0.000 0.216 126 A C 1.198 178.746 177.584 -0.060 0.000 1.170 126 A CA 1.715 53.654 52.037 -0.163 0.000 0.645 126 A CB -0.354 18.497 19.000 -0.248 0.000 0.816 126 A HN 1.994 nan 8.150 nan 0.000 0.447 127 G N -1.583 107.179 108.800 -0.064 0.000 2.570 127 G HA2 0.537 4.497 3.960 -0.000 0.000 0.310 127 G HA3 0.537 4.497 3.960 -0.000 0.000 0.310 127 G C -1.370 173.517 174.900 -0.021 0.000 1.266 127 G CA -0.937 44.154 45.100 -0.015 0.000 0.825 127 G HN 0.225 nan 8.290 nan 0.000 0.483 128 R N -0.439 120.062 120.500 0.002 0.000 2.670 128 R HA 0.755 5.095 4.340 -0.000 0.000 0.289 128 R C -1.156 175.156 176.300 0.021 0.000 0.965 128 R CA -0.644 55.458 56.100 0.004 0.000 0.899 128 R CB 2.257 32.559 30.300 0.003 0.000 1.173 128 R HN 0.434 nan 8.270 nan 0.000 0.456 129 S N 1.212 116.928 115.700 0.025 0.000 2.542 129 S HA 0.433 4.903 4.470 -0.000 0.000 0.293 129 S C -0.447 174.171 174.600 0.030 0.000 1.089 129 S CA -0.905 57.316 58.200 0.035 0.000 0.961 129 S CB 1.983 65.215 63.200 0.053 0.000 1.062 129 S HN 0.388 nan 8.310 nan 0.000 0.483 130 R N 0.877 121.393 120.500 0.026 0.000 2.679 130 R HA 0.205 4.545 4.340 -0.000 0.000 0.268 130 R C 1.397 177.711 176.300 0.023 0.000 1.044 130 R CA 0.132 56.243 56.100 0.019 0.000 1.105 130 R CB 0.195 30.501 30.300 0.010 0.000 0.989 130 R HN 0.809 nan 8.270 nan 0.000 0.447 131 A N 3.072 125.900 122.820 0.013 0.000 1.940 131 A HA -0.139 4.180 4.320 -0.000 0.000 0.219 131 A C 0.552 178.132 177.584 -0.007 0.000 1.176 131 A CA 1.321 53.368 52.037 0.017 0.000 0.631 131 A CB 0.074 19.061 19.000 -0.022 0.000 0.814 131 A HN 0.551 nan 8.150 nan 0.000 0.446 132 Q N 0.158 119.916 119.800 -0.069 0.000 2.372 132 Q HA 0.535 4.875 4.340 -0.000 0.000 0.259 132 Q C -1.383 174.597 176.000 -0.033 0.000 0.993 132 Q CA -0.072 55.666 55.803 -0.107 0.000 0.854 132 Q CB 1.574 30.202 28.738 -0.184 0.000 1.231 132 Q HN 0.170 nan 8.270 nan 0.000 0.462 133 V N 2.742 122.657 119.914 0.002 0.000 2.789 133 V HA 0.329 4.449 4.120 -0.000 0.000 0.311 133 V C -0.026 176.082 176.094 0.022 0.000 1.073 133 V CA -1.197 61.114 62.300 0.018 0.000 0.921 133 V CB 2.282 34.127 31.823 0.035 0.000 1.009 133 V HN 0.502 nan 8.190 nan 0.000 0.426 134 K N 2.660 123.073 120.400 0.022 0.000 2.451 134 K HA 0.373 4.693 4.320 -0.000 0.000 0.280 134 K C 0.408 177.027 176.600 0.032 0.000 1.020 134 K CA 0.196 56.500 56.287 0.029 0.000 1.008 134 K CB 0.865 33.383 32.500 0.029 0.000 0.917 134 K HN 0.904 nan 8.250 nan 0.000 0.478 135 A N 5.497 128.339 122.820 0.036 0.000 2.445 135 A HA 0.257 4.577 4.320 -0.000 0.000 0.242 135 A C -1.900 175.701 177.584 0.029 0.000 1.075 135 A CA -1.021 51.036 52.037 0.035 0.000 0.777 135 A CB -0.568 18.454 19.000 0.037 0.000 1.013 135 A HN 0.426 nan 8.150 nan 0.000 0.493 136 P HA 0.161 nan 4.420 nan 0.000 0.262 136 P C 0.710 178.023 177.300 0.022 0.000 1.182 136 P CA 0.768 63.879 63.100 0.018 0.000 0.761 136 P CB 0.408 32.117 31.700 0.015 0.000 0.795 137 G N 2.397 111.209 108.800 0.019 0.000 2.516 137 G HA2 0.086 4.045 3.960 -0.000 0.000 0.276 137 G HA3 0.086 4.045 3.960 -0.000 0.000 0.276 137 G C 1.146 176.058 174.900 0.020 0.000 1.390 137 G CA -0.571 44.542 45.100 0.022 0.000 1.050 137 G HN 0.353 nan 8.290 nan 0.000 0.519 138 I N -0.681 119.901 120.570 0.020 0.000 2.208 138 I HA -0.125 4.045 4.170 -0.000 0.000 0.245 138 I C 2.685 178.809 176.117 0.013 0.000 1.097 138 I CA 1.091 62.401 61.300 0.018 0.000 1.363 138 I CB -1.017 36.993 38.000 0.017 0.000 1.051 138 I HN 0.274 nan 8.210 nan 0.000 0.413 139 L N 1.647 122.877 121.223 0.010 0.000 2.044 139 L HA 0.007 4.347 4.340 -0.000 0.000 0.205 139 L C -0.835 176.037 176.870 0.004 0.000 1.075 139 L CA 1.634 56.477 54.840 0.006 0.000 0.747 139 L CB -1.548 40.514 42.059 0.005 0.000 0.903 139 L HN 0.136 nan 8.230 nan 0.000 0.435 140 P HA 0.113 nan 4.420 nan 0.000 0.226 140 P C -0.710 176.593 177.300 0.005 0.000 1.758 140 P CA 0.213 63.314 63.100 0.002 0.000 0.896 140 P CB -0.080 31.620 31.700 -0.001 0.000 1.784 141 R N -0.013 120.492 120.500 0.008 0.000 2.888 141 R HA 0.677 5.017 4.340 -0.000 0.000 0.264 141 R C -0.223 176.084 176.300 0.012 0.000 1.045 141 R CA -0.906 55.202 56.100 0.014 0.000 0.962 141 R CB 2.458 32.769 30.300 0.018 0.000 1.210 141 R HN -0.032 nan 8.270 nan 0.000 0.479 142 R N 0.613 121.126 120.500 0.021 0.000 2.651 142 R HA 0.311 4.651 4.340 -0.000 0.000 0.278 142 R C -1.114 175.203 176.300 0.029 0.000 1.010 142 R CA -0.469 55.637 56.100 0.011 0.000 0.896 142 R CB 2.184 32.487 30.300 0.005 0.000 1.211 142 R HN 0.750 nan 8.270 nan 0.000 0.456 143 S N 1.540 117.245 115.700 0.008 0.000 2.599 143 S HA -0.043 4.426 4.470 -0.000 0.000 0.303 143 S C 0.320 174.976 174.600 0.093 0.000 1.267 143 S CA -0.146 58.071 58.200 0.028 0.000 1.055 143 S CB 0.439 63.641 63.200 0.003 0.000 0.790 143 S HN 0.353 nan 8.310 nan 0.000 0.500 144 V N 5.473 125.440 119.914 0.088 0.000 2.529 144 V HA 0.073 4.193 4.120 -0.000 0.000 0.292 144 V C 1.307 177.489 176.094 0.146 0.000 1.028 144 V CA 0.617 62.977 62.300 0.100 0.000 1.074 144 V CB 0.092 31.940 31.823 0.041 0.000 0.958 144 V HN 1.094 nan 8.190 nan 0.000 0.481 145 H N 2.471 121.523 119.070 -0.031 0.000 3.726 145 H HA 0.328 4.883 4.556 -0.000 0.000 0.262 145 H C -0.048 175.244 175.328 -0.061 0.000 1.181 145 H CA -0.419 55.607 56.048 -0.037 0.000 1.143 145 H CB 0.583 30.328 29.762 -0.027 0.000 1.627 145 H HN 0.606 nan 8.280 nan 0.000 0.750 146 E N 2.995 122.907 120.200 -0.479 0.000 2.183 146 E HA 0.419 4.769 4.350 -0.000 0.000 0.271 146 E C -2.846 173.578 176.600 -0.293 0.000 0.919 146 E CA -2.189 53.938 56.400 -0.455 0.000 0.781 146 E CB 2.329 31.692 29.700 -0.560 0.000 1.140 146 E HN 0.143 nan 8.360 nan 0.000 0.402 147 P HA 0.009 nan 4.420 nan 0.000 0.271 147 P C -0.842 176.293 177.300 -0.275 0.000 1.218 147 P CA -0.281 62.686 63.100 -0.222 0.000 0.780 147 P CB 0.585 32.168 31.700 -0.195 0.000 0.901 148 V N 3.998 123.792 119.914 -0.200 0.000 2.311 148 V HA 0.173 4.293 4.120 -0.000 0.000 0.275 148 V C 0.299 176.306 176.094 -0.144 0.000 1.022 148 V CA -0.218 61.962 62.300 -0.199 0.000 0.830 148 V CB 0.455 32.201 31.823 -0.128 0.000 1.012 148 V HN 0.465 nan 8.190 nan 0.000 0.452 149 Q N 2.347 122.043 119.800 -0.174 0.000 2.361 149 Q HA 0.176 4.516 4.340 -0.000 0.000 0.250 149 Q C 1.317 177.354 176.000 0.063 0.000 1.023 149 Q CA -0.021 55.769 55.803 -0.022 0.000 0.915 149 Q CB 1.286 30.076 28.738 0.086 0.000 1.238 149 Q HN 0.956 nan 8.270 nan 0.000 0.451 150 T N -1.102 113.478 114.554 0.044 0.000 3.023 150 T HA 0.069 4.418 4.350 -0.000 0.000 0.266 150 T C 1.384 176.125 174.700 0.069 0.000 1.093 150 T CA 0.630 62.758 62.100 0.047 0.000 1.129 150 T CB 0.065 68.947 68.868 0.024 0.000 0.899 150 T HN 0.850 nan 8.240 nan 0.000 0.491 151 G N 1.066 109.914 108.800 0.081 0.000 2.176 151 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.253 151 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.253 151 G C -0.097 174.829 174.900 0.043 0.000 0.979 151 G CA 0.146 45.286 45.100 0.068 0.000 0.641 151 G HN 0.633 nan 8.290 nan 0.000 0.530 152 L N 0.242 121.487 121.223 0.036 0.000 2.296 152 L HA 0.448 4.788 4.340 -0.000 0.000 0.286 152 L C 1.622 178.510 176.870 0.030 0.000 1.023 152 L CA -0.915 53.940 54.840 0.025 0.000 0.812 152 L CB 1.429 43.497 42.059 0.015 0.000 1.223 152 L HN 0.032 nan 8.230 nan 0.000 0.421 153 K N 2.153 122.571 120.400 0.030 0.000 2.063 153 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 153 K C 1.953 178.574 176.600 0.034 0.000 1.048 153 K CA 1.683 57.992 56.287 0.037 0.000 0.928 153 K CB -0.082 32.441 32.500 0.039 0.000 0.713 153 K HN 0.802 nan 8.250 nan 0.000 0.442 154 A N 0.928 123.764 122.820 0.028 0.000 1.873 154 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 154 A C 2.392 179.995 177.584 0.031 0.000 1.186 154 A CA 1.422 53.477 52.037 0.029 0.000 0.616 154 A CB -0.606 18.409 19.000 0.026 0.000 0.823 154 A HN 0.059 nan 8.150 nan 0.000 0.442 155 V N 0.626 120.557 119.914 0.027 0.000 2.239 155 V HA -0.204 3.916 4.120 -0.000 0.000 0.242 155 V C 2.188 178.296 176.094 0.023 0.000 1.038 155 V CA 2.158 64.473 62.300 0.025 0.000 1.002 155 V CB -0.973 30.862 31.823 0.019 0.000 0.641 155 V HN 0.472 nan 8.190 nan 0.000 0.449 156 D N 0.549 120.964 120.400 0.024 0.000 2.158 156 D HA -0.168 4.471 4.640 -0.000 0.000 0.197 156 D C 2.074 178.390 176.300 0.027 0.000 0.995 156 D CA 1.791 55.805 54.000 0.023 0.000 0.846 156 D CB -0.282 40.537 40.800 0.032 0.000 0.941 156 D HN 0.468 nan 8.370 nan 0.000 0.456 157 A N -0.315 122.526 122.820 0.034 0.000 1.898 157 A HA 0.053 4.373 4.320 -0.000 0.000 0.214 157 A C 2.227 179.832 177.584 0.034 0.000 1.183 157 A CA 0.670 52.730 52.037 0.038 0.000 0.622 157 A CB -0.210 18.817 19.000 0.046 0.000 0.824 157 A HN 0.209 nan 8.150 nan 0.000 0.444 158 L N -1.416 119.827 121.223 0.033 0.000 2.609 158 L HA 0.186 4.526 4.340 -0.000 0.000 0.230 158 L C -0.269 176.618 176.870 0.029 0.000 1.064 158 L CA 0.172 55.032 54.840 0.033 0.000 0.873 158 L CB 1.025 43.107 42.059 0.038 0.000 1.139 158 L HN 0.070 nan 8.230 nan 0.000 0.490 159 V N 1.328 121.258 119.914 0.026 0.000 2.464 159 V HA 0.247 4.367 4.120 -0.000 0.000 0.255 159 V C -2.489 173.614 176.094 0.014 0.000 0.946 159 V CA -1.113 61.201 62.300 0.024 0.000 0.988 159 V CB 0.600 32.441 31.823 0.031 0.000 1.210 159 V HN -0.019 nan 8.190 nan 0.000 0.523 160 P HA 0.351 nan 4.420 nan 0.000 0.276 160 P C -0.439 176.854 177.300 -0.012 0.000 1.230 160 P CA 0.151 63.250 63.100 -0.002 0.000 0.776 160 P CB 1.555 33.254 31.700 -0.002 0.000 0.888 161 I N 2.222 122.777 120.570 -0.024 0.000 2.377 161 I HA 0.436 4.605 4.170 -0.000 0.000 0.293 161 I C 1.166 177.249 176.117 -0.056 0.000 0.987 161 I CA -0.404 60.876 61.300 -0.033 0.000 1.185 161 I CB 1.734 39.714 38.000 -0.034 0.000 1.341 161 I HN 0.338 nan 8.210 nan 0.000 0.455 162 G N 4.936 113.706 108.800 -0.050 0.000 2.462 162 G HA2 0.503 4.463 3.960 -0.000 0.000 0.319 162 G HA3 0.503 4.463 3.960 -0.000 0.000 0.319 162 G C -0.427 174.429 174.900 -0.074 0.000 1.171 162 G CA -0.803 44.255 45.100 -0.071 0.000 0.920 162 G HN 0.532 nan 8.290 nan 0.000 0.499 163 R N -0.075 120.363 120.500 -0.104 0.000 2.296 163 R HA 0.421 4.761 4.340 -0.000 0.000 0.323 163 R C 1.022 177.317 176.300 -0.009 0.000 1.067 163 R CA 0.983 57.038 56.100 -0.075 0.000 0.946 163 R CB 0.796 31.017 30.300 -0.131 0.000 0.991 163 R HN 1.041 nan 8.270 nan 0.000 0.448 164 G N 1.905 110.711 108.800 0.009 0.000 2.179 164 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 164 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 164 G C 0.055 174.964 174.900 0.015 0.000 0.990 164 G CA -0.035 45.080 45.100 0.025 0.000 0.646 164 G HN 0.587 nan 8.290 nan 0.000 0.517 165 Q N 0.025 119.825 119.800 0.001 0.000 2.221 165 Q HA 0.718 5.058 4.340 -0.000 0.000 0.242 165 Q C -0.094 175.904 176.000 -0.004 0.000 0.940 165 Q CA -0.775 55.027 55.803 -0.001 0.000 0.896 165 Q CB 0.614 29.347 28.738 -0.009 0.000 1.226 165 Q HN 0.371 nan 8.270 nan 0.000 0.463 166 R N 2.072 122.569 120.500 -0.005 0.000 2.337 166 R HA 0.298 4.638 4.340 -0.000 0.000 0.319 166 R C -1.378 174.911 176.300 -0.018 0.000 0.954 166 R CA -0.527 55.566 56.100 -0.011 0.000 0.840 166 R CB 1.499 31.791 30.300 -0.014 0.000 1.164 166 R HN 0.518 nan 8.270 nan 0.000 0.472 167 E N 3.182 123.368 120.200 -0.023 0.000 2.191 167 E HA 0.277 4.627 4.350 -0.000 0.000 0.263 167 E C -1.529 175.048 176.600 -0.038 0.000 0.881 167 E CA -0.940 55.445 56.400 -0.025 0.000 0.757 167 E CB 1.160 30.849 29.700 -0.019 0.000 1.147 167 E HN 0.397 nan 8.360 nan 0.000 0.414 168 L N 5.262 126.454 121.223 -0.051 0.000 2.334 168 L HA 0.566 4.906 4.340 -0.000 0.000 0.277 168 L C -1.107 175.712 176.870 -0.085 0.000 1.075 168 L CA -0.173 54.620 54.840 -0.078 0.000 0.804 168 L CB 0.792 42.789 42.059 -0.103 0.000 1.174 168 L HN 0.654 nan 8.230 nan 0.000 0.438 169 I N 6.613 127.129 120.570 -0.091 0.000 2.330 169 I HA 0.429 4.599 4.170 -0.000 0.000 0.289 169 I C -0.393 175.633 176.117 -0.152 0.000 1.001 169 I CA -0.213 61.029 61.300 -0.097 0.000 1.193 169 I CB 1.310 39.276 38.000 -0.057 0.000 1.345 169 I HN 0.609 nan 8.210 nan 0.000 0.461 170 I N 5.237 125.661 120.570 -0.243 0.000 2.686 170 I HA 0.881 5.051 4.170 -0.000 0.000 0.295 170 I C -0.368 175.499 176.117 -0.416 0.000 1.114 170 I CA -0.011 61.071 61.300 -0.363 0.000 1.038 170 I CB 2.110 39.794 38.000 -0.526 0.000 1.238 170 I HN 0.712 nan 8.210 nan 0.000 0.420 171 G N 4.767 113.410 108.800 -0.262 0.000 2.321 171 G HA2 0.146 4.106 3.960 -0.000 0.000 0.298 171 G HA3 0.146 4.106 3.960 -0.000 0.000 0.298 171 G C -1.932 172.948 174.900 -0.034 0.000 1.385 171 G CA -0.851 44.184 45.100 -0.108 0.000 0.856 171 G HN 0.510 nan 8.290 nan 0.000 0.584 172 D N 0.426 120.839 120.400 0.021 0.000 2.354 172 D HA 0.333 4.973 4.640 -0.000 0.000 0.238 172 D C 1.356 177.646 176.300 -0.016 0.000 1.250 172 D CA 0.088 54.096 54.000 0.013 0.000 0.911 172 D CB 0.371 41.191 40.800 0.032 0.000 1.163 172 D HN 0.716 nan 8.370 nan 0.000 0.456 173 R N 0.450 120.944 120.500 -0.011 0.000 2.538 173 R HA -0.079 4.261 4.340 -0.000 0.000 0.273 173 R C -0.096 176.167 176.300 -0.061 0.000 0.967 173 R CA 0.198 56.284 56.100 -0.023 0.000 1.101 173 R CB -0.311 29.985 30.300 -0.007 0.000 0.908 173 R HN 0.408 nan 8.270 nan 0.000 0.411 174 Q N -0.320 119.432 119.800 -0.080 0.000 2.502 174 Q HA -0.178 4.162 4.340 -0.000 0.000 0.273 174 Q C 0.008 175.840 176.000 -0.279 0.000 1.127 174 Q CA 1.367 57.080 55.803 -0.150 0.000 0.952 174 Q CB -1.607 27.050 28.738 -0.136 0.000 1.333 174 Q HN 1.002 nan 8.270 nan 0.000 0.494 175 T N -5.029 109.414 114.554 -0.186 0.000 3.054 175 T HA 0.451 4.801 4.350 -0.000 0.000 0.255 175 T C 1.171 175.845 174.700 -0.043 0.000 1.035 175 T CA 0.533 62.524 62.100 -0.182 0.000 0.941 175 T CB 1.154 69.982 68.868 -0.067 0.000 1.026 175 T HN 0.889 nan 8.240 nan 0.000 0.533 176 G N 1.908 110.687 108.800 -0.036 0.000 2.135 176 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.183 176 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.183 176 G C 0.700 175.610 174.900 0.016 0.000 1.004 176 G CA 0.154 45.274 45.100 0.033 0.000 0.677 176 G HN 0.495 nan 8.290 nan 0.000 0.512 177 K N -0.333 120.066 120.400 -0.002 0.000 2.009 177 K HA -0.085 4.235 4.320 -0.000 0.000 0.210 177 K C 2.517 179.126 176.600 0.015 0.000 1.049 177 K CA 1.885 58.170 56.287 -0.004 0.000 0.929 177 K CB -0.393 32.095 32.500 -0.020 0.000 0.714 177 K HN 0.296 nan 8.250 nan 0.000 0.440 178 T N 1.310 115.882 114.554 0.030 0.000 2.759 178 T HA -0.163 4.187 4.350 -0.000 0.000 0.269 178 T C 2.031 176.747 174.700 0.028 0.000 1.042 178 T CA 1.405 63.543 62.100 0.063 0.000 1.140 178 T CB -0.311 68.605 68.868 0.079 0.000 0.864 178 T HN 0.376 nan 8.240 nan 0.000 0.455 179 A N 0.998 123.814 122.820 -0.007 0.000 1.908 179 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 179 A C 2.585 180.140 177.584 -0.048 0.000 1.181 179 A CA 1.523 53.524 52.037 -0.060 0.000 0.627 179 A CB -1.071 17.875 19.000 -0.091 0.000 0.818 179 A HN 0.366 nan 8.150 nan 0.000 0.445 180 V N -0.158 119.746 119.914 -0.017 0.000 2.287 180 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 180 V C 3.063 179.159 176.094 0.005 0.000 1.053 180 V CA 2.119 64.414 62.300 -0.007 0.000 1.027 180 V CB -1.318 30.506 31.823 0.002 0.000 0.646 180 V HN 0.635 nan 8.190 nan 0.000 0.447 181 A N -0.457 122.377 122.820 0.023 0.000 1.902 181 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 181 A C 2.162 179.771 177.584 0.043 0.000 1.181 181 A CA 2.097 54.162 52.037 0.047 0.000 0.623 181 A CB -0.548 18.512 19.000 0.100 0.000 0.818 181 A HN 0.449 nan 8.150 nan 0.000 0.443 182 L N -0.141 121.094 121.223 0.021 0.000 2.056 182 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 182 L C 1.683 178.555 176.870 0.003 0.000 1.078 182 L CA 2.274 57.110 54.840 -0.007 0.000 0.749 182 L CB -0.564 41.480 42.059 -0.025 0.000 0.901 182 L HN 0.306 nan 8.230 nan 0.000 0.433 183 D N -0.938 119.455 120.400 -0.012 0.000 2.104 183 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 183 D C 2.055 178.373 176.300 0.030 0.000 0.994 183 D CA 1.918 55.915 54.000 -0.005 0.000 0.830 183 D CB -0.358 40.422 40.800 -0.032 0.000 0.959 183 D HN 0.340 nan 8.370 nan 0.000 0.452 184 T N 1.012 115.585 114.554 0.031 0.000 2.737 184 T HA -0.131 4.218 4.350 -0.000 0.000 0.269 184 T C 2.168 176.913 174.700 0.075 0.000 1.040 184 T CA 0.703 62.832 62.100 0.047 0.000 1.142 184 T CB -0.165 68.720 68.868 0.029 0.000 0.861 184 T HN 0.198 nan 8.240 nan 0.000 0.456 185 I N 0.363 120.982 120.570 0.081 0.000 2.286 185 I HA -0.058 4.112 4.170 -0.000 0.000 0.245 185 I C 2.210 178.448 176.117 0.201 0.000 1.104 185 I CA 0.914 62.298 61.300 0.140 0.000 1.397 185 I CB -0.327 37.731 38.000 0.097 0.000 1.072 185 I HN 0.196 nan 8.210 nan 0.000 0.417 186 L N 0.512 121.806 121.223 0.117 0.000 2.079 186 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 186 L C 2.213 179.171 176.870 0.148 0.000 1.081 186 L CA 1.411 56.324 54.840 0.123 0.000 0.752 186 L CB -0.837 41.236 42.059 0.023 0.000 0.896 186 L HN 0.335 nan 8.230 nan 0.000 0.433 187 N N -0.273 118.498 118.700 0.119 0.000 2.364 187 N HA -0.180 4.560 4.740 -0.000 0.000 0.183 187 N C 1.774 177.363 175.510 0.131 0.000 1.022 187 N CA 0.830 53.945 53.050 0.109 0.000 0.883 187 N CB 0.089 38.659 38.487 0.139 0.000 0.965 187 N HN 0.208 nan 8.380 nan 0.000 0.438 188 Q N 0.219 120.103 119.800 0.141 0.000 2.488 188 Q HA 0.009 4.349 4.340 -0.000 0.000 0.211 188 Q C 1.469 177.396 176.000 -0.122 0.000 0.967 188 Q CA 0.441 56.299 55.803 0.092 0.000 0.926 188 Q CB -0.022 28.623 28.738 -0.155 0.000 0.992 188 Q HN 0.446 nan 8.270 nan 0.000 0.506 189 K N 0.634 120.974 120.400 -0.101 0.000 2.113 189 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 189 K C 1.885 178.352 176.600 -0.222 0.000 1.047 189 K CA 0.968 57.192 56.287 -0.105 0.000 0.928 189 K CB 0.015 32.542 32.500 0.046 0.000 0.716 189 K HN 0.163 nan 8.250 nan 0.000 0.446 190 R N -0.804 119.441 120.500 -0.425 0.000 2.211 190 R HA -0.170 4.170 4.340 -0.000 0.000 0.240 190 R C 1.505 177.330 176.300 -0.791 0.000 1.144 190 R CA 1.376 56.992 56.100 -0.808 0.000 0.992 190 R CB -0.032 29.353 30.300 -1.526 0.000 0.869 190 R HN 0.448 nan 8.270 nan 0.000 0.462 191 W N -1.395 119.808 121.300 -0.162 0.000 3.097 191 W HA 0.214 4.873 4.660 -0.000 0.000 0.245 191 W C 1.223 177.617 176.519 -0.208 0.000 1.120 191 W CA -0.585 56.660 57.345 -0.168 0.000 1.468 191 W CB -0.357 28.993 29.460 -0.183 0.000 0.851 191 W HN 0.014 nan 8.180 nan 0.000 0.692 192 N N 1.389 120.032 118.700 -0.095 0.000 2.309 192 N HA -0.117 4.623 4.740 -0.000 0.000 0.182 192 N C 1.066 176.524 175.510 -0.086 0.000 1.018 192 N CA 0.968 53.879 53.050 -0.232 0.000 0.876 192 N CB -0.534 37.594 38.487 -0.598 0.000 0.972 192 N HN 0.126 nan 8.380 nan 0.000 0.434 193 N N 0.358 119.019 118.700 -0.065 0.000 2.494 193 N HA -0.009 4.731 4.740 -0.000 0.000 0.182 193 N C 1.130 176.633 175.510 -0.012 0.000 1.076 193 N CA 0.283 53.321 53.050 -0.020 0.000 0.908 193 N CB 0.002 38.469 38.487 -0.032 0.000 0.967 193 N HN 0.180 nan 8.380 nan 0.000 0.449 194 G N -0.601 108.191 108.800 -0.013 0.000 2.510 194 G HA2 0.268 4.228 3.960 -0.000 0.000 0.280 194 G HA3 0.268 4.228 3.960 -0.000 0.000 0.280 194 G C 0.528 175.447 174.900 0.033 0.000 1.386 194 G CA -0.264 44.841 45.100 0.008 0.000 1.047 194 G HN 0.129 nan 8.290 nan 0.000 0.527 195 S N -1.043 114.681 115.700 0.040 0.000 2.526 195 S HA 0.120 4.590 4.470 -0.000 0.000 0.220 195 S C 0.274 174.911 174.600 0.062 0.000 1.017 195 S CA -0.203 58.029 58.200 0.052 0.000 0.930 195 S CB 0.355 63.581 63.200 0.043 0.000 0.856 195 S HN 0.575 nan 8.310 nan 0.000 0.497 196 D N 2.678 123.113 120.400 0.059 0.000 2.344 196 D HA 0.100 4.740 4.640 -0.000 0.000 0.253 196 D C 0.816 177.157 176.300 0.068 0.000 1.255 196 D CA 0.157 54.193 54.000 0.060 0.000 0.894 196 D CB 0.595 41.429 40.800 0.055 0.000 1.067 196 D HN 0.057 nan 8.370 nan 0.000 0.492 197 E N 1.459 121.712 120.200 0.089 0.000 2.358 197 E HA -0.105 4.245 4.350 -0.000 0.000 0.195 197 E C 1.604 178.287 176.600 0.137 0.000 1.010 197 E CA 0.377 56.855 56.400 0.130 0.000 0.856 197 E CB 0.131 29.933 29.700 0.171 0.000 0.795 197 E HN 0.523 nan 8.360 nan 0.000 0.504 198 S N 0.141 115.902 115.700 0.101 0.000 2.562 198 S HA 0.053 4.523 4.470 -0.000 0.000 0.221 198 S C 1.567 176.141 174.600 -0.044 0.000 0.975 198 S CA 0.322 58.593 58.200 0.117 0.000 0.918 198 S CB 0.112 63.361 63.200 0.081 0.000 0.772 198 S HN 0.086 nan 8.310 nan 0.000 0.531 199 K N 0.538 120.894 120.400 -0.074 0.000 2.354 199 K HA 0.237 4.557 4.320 -0.000 0.000 0.194 199 K C 0.183 176.633 176.600 -0.249 0.000 1.045 199 K CA -0.009 56.144 56.287 -0.224 0.000 1.026 199 K CB 0.319 32.749 32.500 -0.116 0.000 0.866 199 K HN 0.314 nan 8.250 nan 0.000 0.530 200 K N 1.338 121.659 120.400 -0.131 0.000 2.319 200 K HA 0.133 4.452 4.320 -0.000 0.000 0.265 200 K C -0.618 175.794 176.600 -0.312 0.000 1.000 200 K CA -0.184 55.955 56.287 -0.248 0.000 0.943 200 K CB 0.568 32.869 32.500 -0.332 0.000 0.950 200 K HN -0.161 nan 8.250 nan 0.000 0.485 201 L N 3.691 124.649 121.223 -0.442 0.000 2.427 201 L HA 0.278 4.618 4.340 -0.000 0.000 0.264 201 L C -1.598 175.035 176.870 -0.395 0.000 0.989 201 L CA -0.398 54.250 54.840 -0.319 0.000 0.865 201 L CB 0.573 42.492 42.059 -0.233 0.000 1.209 201 L HN 0.428 nan 8.230 nan 0.000 0.430 202 Y N 2.769 122.944 120.300 -0.208 0.000 2.319 202 Y HA 0.394 4.944 4.550 -0.000 0.000 0.328 202 Y C 0.564 176.345 175.900 -0.198 0.000 1.133 202 Y CA -0.081 57.850 58.100 -0.282 0.000 1.265 202 Y CB 0.867 38.851 38.460 -0.795 0.000 1.218 202 Y HN 0.449 nan 8.280 nan 0.000 0.508 203 C N 3.516 122.885 119.300 0.115 0.000 2.329 203 C HA 0.654 5.114 4.460 -0.000 0.000 0.329 203 C C -0.259 174.765 174.990 0.056 0.000 1.275 203 C CA -1.108 57.962 59.018 0.087 0.000 1.726 203 C CB 0.155 27.997 27.740 0.170 0.000 2.291 203 C HN 0.556 nan 8.230 nan 0.000 0.514 204 V N 3.944 123.870 119.914 0.019 0.000 2.378 204 V HA 0.299 4.419 4.120 -0.000 0.000 0.288 204 V C -0.823 175.272 176.094 0.001 0.000 1.016 204 V CA -0.584 61.726 62.300 0.016 0.000 0.840 204 V CB 0.930 32.750 31.823 -0.006 0.000 0.994 204 V HN 0.796 nan 8.190 nan 0.000 0.431 205 Y N 4.856 125.116 120.300 -0.068 0.000 2.331 205 Y HA 0.644 5.193 4.550 -0.000 0.000 0.338 205 Y C -0.294 175.569 175.900 -0.061 0.000 0.976 205 Y CA -0.675 57.379 58.100 -0.076 0.000 1.137 205 Y CB 1.732 40.164 38.460 -0.048 0.000 1.172 205 Y HN 0.426 nan 8.280 nan 0.000 0.478 206 V N 6.545 126.128 119.914 -0.552 0.000 2.294 206 V HA 0.545 4.665 4.120 -0.000 0.000 0.272 206 V C 0.059 175.907 176.094 -0.410 0.000 1.027 206 V CA -0.783 61.324 62.300 -0.321 0.000 0.823 206 V CB 0.596 32.331 31.823 -0.146 0.000 1.030 206 V HN 0.938 nan 8.190 nan 0.000 0.457 207 A N 5.399 128.113 122.820 -0.176 0.000 2.343 207 A HA 0.658 4.977 4.320 -0.000 0.000 0.305 207 A C -0.258 177.316 177.584 -0.017 0.000 1.308 207 A CA -0.253 51.756 52.037 -0.047 0.000 0.949 207 A CB 0.251 19.343 19.000 0.152 0.000 1.148 207 A HN 0.682 nan 8.150 nan 0.000 0.545 208 V N 2.691 122.590 119.914 -0.025 0.000 2.350 208 V HA 0.623 4.743 4.120 -0.000 0.000 0.285 208 V C 1.168 177.280 176.094 0.029 0.000 1.014 208 V CA 0.481 62.785 62.300 0.006 0.000 0.831 208 V CB 0.584 32.407 31.823 0.000 0.000 1.000 208 V HN 1.720 nan 8.190 nan 0.000 0.433 209 G N 3.978 112.803 108.800 0.042 0.000 2.159 209 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.256 209 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.256 209 G C 0.146 175.074 174.900 0.047 0.000 0.977 209 G CA 0.293 45.422 45.100 0.049 0.000 0.652 209 G HN 0.643 nan 8.290 nan 0.000 0.531 210 Q N 0.188 120.017 119.800 0.049 0.000 2.256 210 Q HA 0.508 4.848 4.340 -0.000 0.000 0.232 210 Q C 0.613 176.642 176.000 0.049 0.000 0.965 210 Q CA -0.327 55.509 55.803 0.054 0.000 0.908 210 Q CB 0.777 29.560 28.738 0.075 0.000 1.209 210 Q HN 0.604 nan 8.270 nan 0.000 0.489 211 K N 0.354 120.781 120.400 0.045 0.000 2.185 211 K HA 0.228 4.548 4.320 -0.000 0.000 0.271 211 K C 0.359 176.982 176.600 0.038 0.000 1.013 211 K CA -0.517 55.792 56.287 0.038 0.000 0.943 211 K CB 1.197 33.717 32.500 0.032 0.000 0.998 211 K HN 0.436 nan 8.250 nan 0.000 0.468 212 R N 0.825 121.344 120.500 0.032 0.000 2.094 212 R HA -0.205 4.135 4.340 -0.000 0.000 0.239 212 R C 2.424 178.739 176.300 0.026 0.000 1.137 212 R CA 2.364 58.482 56.100 0.029 0.000 0.943 212 R CB -0.585 29.729 30.300 0.024 0.000 0.850 212 R HN 0.967 nan 8.270 nan 0.000 0.433 213 S N -0.187 115.526 115.700 0.022 0.000 2.400 213 S HA -0.165 4.304 4.470 -0.000 0.000 0.232 213 S C 1.950 176.562 174.600 0.019 0.000 1.025 213 S CA 1.870 60.081 58.200 0.018 0.000 0.993 213 S CB -0.516 62.694 63.200 0.017 0.000 0.808 213 S HN 0.233 nan 8.310 nan 0.000 0.478 214 T N 1.845 116.415 114.554 0.027 0.000 2.777 214 T HA 0.018 4.368 4.350 -0.000 0.000 0.266 214 T C 1.853 176.568 174.700 0.026 0.000 1.040 214 T CA 1.381 63.499 62.100 0.030 0.000 1.141 214 T CB -0.463 68.430 68.868 0.042 0.000 0.868 214 T HN 0.317 nan 8.240 nan 0.000 0.444 215 V N 1.589 121.525 119.914 0.036 0.000 2.358 215 V HA -0.102 4.018 4.120 -0.000 0.000 0.246 215 V C 2.850 178.946 176.094 0.002 0.000 1.047 215 V CA 1.539 63.860 62.300 0.035 0.000 1.035 215 V CB -1.119 30.741 31.823 0.062 0.000 0.658 215 V HN 0.498 nan 8.190 nan 0.000 0.452 216 A N -0.370 122.453 122.820 0.006 0.000 1.940 216 A HA -0.311 4.009 4.320 -0.000 0.000 0.219 216 A C 2.166 179.741 177.584 -0.016 0.000 1.176 216 A CA 2.295 54.329 52.037 -0.004 0.000 0.631 216 A CB -0.471 18.529 19.000 0.001 0.000 0.814 216 A HN 0.550 nan 8.150 nan 0.000 0.446 217 Q N -0.863 118.929 119.800 -0.013 0.000 2.187 217 Q HA 0.036 4.376 4.340 -0.000 0.000 0.199 217 Q C 1.799 177.776 176.000 -0.037 0.000 0.957 217 Q CA 1.259 57.051 55.803 -0.017 0.000 0.857 217 Q CB -0.384 28.353 28.738 -0.001 0.000 0.929 217 Q HN 0.555 nan 8.270 nan 0.000 0.453 218 L N -0.828 120.363 121.223 -0.054 0.000 2.093 218 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 218 L C 1.931 178.730 176.870 -0.118 0.000 1.085 218 L CA 1.083 55.857 54.840 -0.111 0.000 0.755 218 L CB -0.259 41.682 42.059 -0.196 0.000 0.904 218 L HN 0.110 nan 8.230 nan 0.000 0.435 219 V N -0.595 119.267 119.914 -0.087 0.000 2.358 219 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 219 V C 2.492 178.546 176.094 -0.066 0.000 1.047 219 V CA 1.969 64.223 62.300 -0.077 0.000 1.035 219 V CB -0.524 31.270 31.823 -0.049 0.000 0.658 219 V HN 0.565 nan 8.190 nan 0.000 0.452 220 Q N -0.713 119.056 119.800 -0.053 0.000 2.226 220 Q HA -0.201 4.138 4.340 -0.000 0.000 0.204 220 Q C 2.243 178.212 176.000 -0.051 0.000 0.975 220 Q CA 1.958 57.732 55.803 -0.047 0.000 0.866 220 Q CB -0.041 28.674 28.738 -0.038 0.000 0.915 220 Q HN 0.641 nan 8.270 nan 0.000 0.440 221 T N 0.721 115.238 114.554 -0.061 0.000 2.809 221 T HA -0.024 4.326 4.350 -0.000 0.000 0.260 221 T C 1.839 176.528 174.700 -0.018 0.000 1.039 221 T CA 0.618 62.680 62.100 -0.063 0.000 1.141 221 T CB -0.094 68.711 68.868 -0.106 0.000 0.869 221 T HN 0.207 nan 8.240 nan 0.000 0.437 222 L N 0.865 122.046 121.223 -0.071 0.000 2.043 222 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 222 L C 2.687 179.525 176.870 -0.052 0.000 1.075 222 L CA 1.572 56.364 54.840 -0.081 0.000 0.752 222 L CB -0.573 41.402 42.059 -0.140 0.000 0.891 222 L HN 0.341 nan 8.230 nan 0.000 0.432 223 E N -0.322 119.844 120.200 -0.058 0.000 2.058 223 E HA -0.287 4.062 4.350 -0.000 0.000 0.194 223 E C 2.265 178.837 176.600 -0.047 0.000 0.997 223 E CA 1.307 57.674 56.400 -0.055 0.000 0.801 223 E CB -0.086 29.583 29.700 -0.053 0.000 0.746 223 E HN 0.525 nan 8.360 nan 0.000 0.450 224 Q N -0.510 119.266 119.800 -0.041 0.000 2.291 224 Q HA -0.125 4.215 4.340 -0.000 0.000 0.205 224 Q C 0.690 176.563 176.000 -0.213 0.000 0.970 224 Q CA 0.928 56.663 55.803 -0.113 0.000 0.876 224 Q CB 0.104 28.759 28.738 -0.140 0.000 0.935 224 Q HN 0.376 nan 8.270 nan 0.000 0.455 225 H N -0.459 118.554 119.070 -0.096 0.000 2.524 225 H HA 0.078 4.634 4.556 -0.000 0.000 0.299 225 H C -0.685 174.613 175.328 -0.049 0.000 1.074 225 H CA -0.170 55.839 56.048 -0.064 0.000 1.115 225 H CB 0.162 29.891 29.762 -0.054 0.000 1.522 225 H HN 0.101 nan 8.280 nan 0.000 0.543 226 D N 0.425 120.826 120.400 0.002 0.000 2.706 226 D HA -0.240 4.399 4.640 -0.000 0.000 0.230 226 D C 0.814 177.090 176.300 -0.040 0.000 1.184 226 D CA 0.809 54.801 54.000 -0.014 0.000 0.628 226 D CB -0.850 39.954 40.800 0.006 0.000 1.019 226 D HN 0.570 nan 8.370 nan 0.000 0.415 227 A N -0.127 122.605 122.820 -0.147 0.000 2.324 227 A HA 0.152 4.472 4.320 -0.000 0.000 0.220 227 A C 2.025 179.177 177.584 -0.719 0.000 1.209 227 A CA 0.157 51.909 52.037 -0.475 0.000 0.918 227 A CB 0.079 18.931 19.000 -0.246 0.000 0.959 227 A HN 0.301 nan 8.150 nan 0.000 0.507 228 M N 1.357 120.748 119.600 -0.349 0.000 2.108 228 M HA -0.164 4.315 4.480 -0.000 0.000 0.261 228 M C 2.158 178.317 176.300 -0.235 0.000 1.066 228 M CA 2.029 57.178 55.300 -0.252 0.000 1.107 228 M CB -0.881 31.641 32.600 -0.131 0.000 1.356 228 M HN 0.695 nan 8.290 nan 0.000 0.406 229 K N 0.249 120.535 120.400 -0.190 0.000 2.362 229 K HA -0.195 4.125 4.320 -0.000 0.000 0.202 229 K C 0.896 177.544 176.600 0.081 0.000 1.045 229 K CA 1.676 57.944 56.287 -0.031 0.000 0.936 229 K CB -0.584 31.938 32.500 0.037 0.000 0.747 229 K HN 0.541 nan 8.250 nan 0.000 0.467 230 Y N -1.229 119.123 120.300 0.087 0.000 2.641 230 Y HA 0.518 5.068 4.550 -0.000 0.000 0.248 230 Y C -0.301 175.661 175.900 0.103 0.000 1.170 230 Y CA -1.163 57.023 58.100 0.144 0.000 1.201 230 Y CB 0.269 38.777 38.460 0.080 0.000 1.232 230 Y HN -0.129 nan 8.280 nan 0.000 0.537 231 S N 1.212 116.879 115.700 -0.055 0.000 2.578 231 S HA 0.724 5.194 4.470 -0.000 0.000 0.301 231 S C -0.732 173.886 174.600 0.029 0.000 1.091 231 S CA -0.606 57.586 58.200 -0.014 0.000 1.032 231 S CB 1.552 64.669 63.200 -0.138 0.000 1.064 231 S HN 0.260 nan 8.310 nan 0.000 0.508 232 I N 2.798 123.403 120.570 0.059 0.000 2.418 232 I HA 0.354 4.524 4.170 -0.000 0.000 0.287 232 I C -1.016 175.144 176.117 0.072 0.000 1.008 232 I CA -0.588 60.750 61.300 0.063 0.000 1.104 232 I CB 1.378 39.432 38.000 0.091 0.000 1.264 232 I HN 0.367 nan 8.210 nan 0.000 0.438 233 I N 7.341 127.949 120.570 0.064 0.000 2.325 233 I HA 0.259 4.429 4.170 -0.000 0.000 0.291 233 I C 0.046 176.207 176.117 0.073 0.000 1.019 233 I CA -0.623 60.737 61.300 0.101 0.000 1.302 233 I CB 1.167 39.217 38.000 0.083 0.000 1.401 233 I HN 0.136 nan 8.210 nan 0.000 0.485 234 V N 6.289 126.244 119.914 0.068 0.000 2.347 234 V HA 0.665 4.785 4.120 -0.000 0.000 0.280 234 V C 0.395 176.506 176.094 0.029 0.000 1.021 234 V CA -0.647 61.673 62.300 0.033 0.000 0.847 234 V CB 1.349 33.180 31.823 0.013 0.000 0.990 234 V HN 0.851 nan 8.190 nan 0.000 0.444 235 A N 4.331 127.168 122.820 0.029 0.000 2.291 235 A HA 0.863 5.183 4.320 -0.000 0.000 0.311 235 A C 0.070 177.663 177.584 0.016 0.000 1.224 235 A CA -0.350 51.708 52.037 0.035 0.000 0.821 235 A CB 1.215 20.243 19.000 0.046 0.000 1.172 235 A HN 1.232 nan 8.150 nan 0.000 0.494 236 A N 3.252 126.080 122.820 0.014 0.000 2.664 236 A HA 0.619 4.939 4.320 -0.000 0.000 0.338 236 A C 0.552 178.153 177.584 0.029 0.000 1.280 236 A CA 0.032 52.077 52.037 0.014 0.000 0.809 236 A CB -0.419 18.587 19.000 0.009 0.000 1.114 236 A HN 1.200 nan 8.150 nan 0.000 0.479 237 T N -1.216 113.357 114.554 0.031 0.000 2.754 237 T HA 0.509 4.859 4.350 -0.000 0.000 0.286 237 T C 1.548 176.273 174.700 0.040 0.000 0.997 237 T CA 0.059 62.182 62.100 0.038 0.000 0.982 237 T CB 1.042 69.933 68.868 0.037 0.000 1.027 237 T HN 1.019 nan 8.240 nan 0.000 0.529 238 A N 0.761 123.606 122.820 0.041 0.000 2.024 238 A HA -0.054 4.266 4.320 -0.000 0.000 0.220 238 A C 2.463 180.071 177.584 0.040 0.000 1.164 238 A CA 1.939 54.002 52.037 0.042 0.000 0.643 238 A CB -1.308 17.716 19.000 0.039 0.000 0.806 238 A HN 1.123 nan 8.150 nan 0.000 0.451 239 S N -0.723 114.999 115.700 0.036 0.000 2.575 239 S HA 0.135 4.604 4.470 -0.000 0.000 0.215 239 S C 0.361 174.984 174.600 0.038 0.000 0.966 239 S CA -0.266 57.955 58.200 0.034 0.000 0.911 239 S CB -0.101 63.116 63.200 0.028 0.000 0.780 239 S HN 0.610 nan 8.310 nan 0.000 0.514 240 E N 1.474 121.699 120.200 0.041 0.000 2.349 240 E HA 0.576 4.926 4.350 -0.000 0.000 0.265 240 E C 0.152 176.789 176.600 0.062 0.000 1.064 240 E CA -0.431 55.996 56.400 0.045 0.000 0.886 240 E CB 1.054 30.775 29.700 0.034 0.000 1.036 240 E HN 0.453 nan 8.360 nan 0.000 0.413 241 A N 1.505 124.372 122.820 0.078 0.000 2.547 241 A HA 0.157 4.477 4.320 -0.000 0.000 0.233 241 A C 1.236 178.893 177.584 0.122 0.000 1.067 241 A CA 0.709 52.809 52.037 0.105 0.000 0.763 241 A CB 0.219 19.310 19.000 0.151 0.000 1.007 241 A HN 0.808 nan 8.150 nan 0.000 0.506 242 A N 2.392 125.287 122.820 0.124 0.000 1.940 242 A HA -0.026 4.294 4.320 -0.000 0.000 0.219 242 A C -0.159 177.558 177.584 0.223 0.000 1.176 242 A CA 1.997 54.120 52.037 0.143 0.000 0.631 242 A CB -1.627 17.435 19.000 0.103 0.000 0.814 242 A HN 0.642 nan 8.150 nan 0.000 0.446 243 P HA -0.127 nan 4.420 nan 0.000 0.218 243 P C 1.395 178.895 177.300 0.333 0.000 1.148 243 P CA 0.803 64.162 63.100 0.431 0.000 0.822 243 P CB -0.138 31.894 31.700 0.553 0.000 0.784 244 L N -0.803 120.497 121.223 0.128 0.000 2.046 244 L HA -0.206 4.133 4.340 -0.000 0.000 0.208 244 L C 2.570 179.462 176.870 0.036 0.000 1.077 244 L CA 1.566 56.380 54.840 -0.042 0.000 0.747 244 L CB -1.072 40.932 42.059 -0.092 0.000 0.896 244 L HN 0.017 nan 8.230 nan 0.000 0.432 245 Q N -0.959 118.903 119.800 0.103 0.000 2.226 245 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 245 Q C 2.045 178.145 176.000 0.167 0.000 0.975 245 Q CA 1.790 57.660 55.803 0.112 0.000 0.866 245 Q CB -0.257 28.553 28.738 0.120 0.000 0.915 245 Q HN 0.608 nan 8.270 nan 0.000 0.440 246 Y N 0.331 120.711 120.300 0.133 0.000 2.337 246 Y HA -0.010 4.539 4.550 -0.000 0.000 0.293 246 Y C 1.609 177.661 175.900 0.253 0.000 1.123 246 Y CA 0.735 58.954 58.100 0.200 0.000 1.201 246 Y CB -0.108 38.520 38.460 0.280 0.000 1.011 246 Y HN -0.059 nan 8.280 nan 0.000 0.545 247 L N 0.244 121.355 121.223 -0.187 0.000 2.131 247 L HA -0.039 4.300 4.340 -0.000 0.000 0.206 247 L C 2.862 179.702 176.870 -0.050 0.000 1.087 247 L CA 0.907 55.618 54.840 -0.215 0.000 0.767 247 L CB -0.886 41.085 42.059 -0.147 0.000 0.917 247 L HN 0.370 nan 8.230 nan 0.000 0.441 248 A N 0.838 123.626 122.820 -0.053 0.000 1.903 248 A HA -0.184 4.135 4.320 -0.000 0.000 0.219 248 A C -0.079 177.473 177.584 -0.052 0.000 1.191 248 A CA 1.976 53.989 52.037 -0.041 0.000 0.638 248 A CB -1.852 17.132 19.000 -0.027 0.000 0.823 248 A HN 0.267 nan 8.150 nan 0.000 0.451 249 P HA -0.141 nan 4.420 nan 0.000 0.215 249 P C 0.983 178.129 177.300 -0.256 0.000 1.153 249 P CA 1.204 64.165 63.100 -0.232 0.000 0.853 249 P CB -0.167 31.117 31.700 -0.692 0.000 0.788 250 F N -1.244 118.632 119.950 -0.124 0.000 2.163 250 F HA -0.098 4.429 4.527 -0.000 0.000 0.297 250 F C 2.454 178.225 175.800 -0.048 0.000 1.094 250 F CA 1.337 59.268 58.000 -0.114 0.000 1.290 250 F CB -1.810 37.068 39.000 -0.204 0.000 1.017 250 F HN -0.154 nan 8.300 nan 0.000 0.483 251 T N 0.122 114.749 114.554 0.122 0.000 2.665 251 T HA -0.263 4.087 4.350 -0.000 0.000 0.268 251 T C 2.279 177.021 174.700 0.069 0.000 1.035 251 T CA 1.643 63.784 62.100 0.068 0.000 1.151 251 T CB -0.671 68.211 68.868 0.023 0.000 0.862 251 T HN 0.301 nan 8.240 nan 0.000 0.438 252 A N 1.188 124.046 122.820 0.064 0.000 1.902 252 A HA 0.159 4.479 4.320 -0.000 0.000 0.217 252 A C 2.633 180.273 177.584 0.093 0.000 1.181 252 A CA 1.879 53.955 52.037 0.065 0.000 0.623 252 A CB -1.078 17.948 19.000 0.042 0.000 0.818 252 A HN 0.522 nan 8.150 nan 0.000 0.443 253 A N -0.579 122.317 122.820 0.126 0.000 1.940 253 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 253 A C 2.431 180.090 177.584 0.125 0.000 1.176 253 A CA 2.105 54.224 52.037 0.137 0.000 0.631 253 A CB -0.801 18.288 19.000 0.148 0.000 0.814 253 A HN 0.447 nan 8.150 nan 0.000 0.446 254 S N -0.259 115.511 115.700 0.115 0.000 2.368 254 S HA -0.094 4.376 4.470 -0.000 0.000 0.224 254 S C 1.789 176.465 174.600 0.128 0.000 1.029 254 S CA 1.346 59.610 58.200 0.107 0.000 0.988 254 S CB -0.479 62.772 63.200 0.085 0.000 0.838 254 S HN 0.559 nan 8.310 nan 0.000 0.462 255 I N 1.343 121.985 120.570 0.121 0.000 2.194 255 I HA -0.198 3.972 4.170 -0.000 0.000 0.246 255 I C 2.557 178.843 176.117 0.282 0.000 1.093 255 I CA 1.333 62.722 61.300 0.148 0.000 1.355 255 I CB -0.678 37.392 38.000 0.118 0.000 1.046 255 I HN 0.379 nan 8.210 nan 0.000 0.413 256 G N -0.255 108.702 108.800 0.262 0.000 2.511 256 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.217 256 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.217 256 G C 1.474 176.572 174.900 0.331 0.000 1.133 256 G CA 0.140 45.449 45.100 0.349 0.000 0.792 256 G HN 0.392 nan 8.290 nan 0.000 0.539 257 E N -0.826 119.501 120.200 0.210 0.000 2.358 257 E HA -0.050 4.300 4.350 -0.000 0.000 0.195 257 E C 1.782 178.432 176.600 0.083 0.000 1.010 257 E CA -0.016 56.461 56.400 0.128 0.000 0.856 257 E CB -0.097 29.655 29.700 0.088 0.000 0.795 257 E HN 0.665 nan 8.360 nan 0.000 0.504 258 W N 0.327 121.587 121.300 -0.067 0.000 2.358 258 W HA -0.193 4.467 4.660 -0.000 0.000 0.303 258 W C 1.244 177.599 176.519 -0.272 0.000 1.208 258 W CA 1.384 58.593 57.345 -0.227 0.000 1.274 258 W CB -0.226 29.004 29.460 -0.384 0.000 1.138 258 W HN -0.025 nan 8.180 nan 0.000 0.515 259 F N 0.497 120.514 119.950 0.111 0.000 2.051 259 F HA -0.150 4.377 4.527 -0.000 0.000 0.296 259 F C 2.811 178.476 175.800 -0.225 0.000 1.122 259 F CA 2.323 60.286 58.000 -0.061 0.000 1.201 259 F CB -1.499 37.584 39.000 0.137 0.000 0.978 259 F HN -0.226 nan 8.300 nan 0.000 0.472 260 R N 0.678 121.215 120.500 0.060 0.000 2.113 260 R HA -0.219 4.121 4.340 -0.000 0.000 0.244 260 R C 1.616 177.820 176.300 -0.160 0.000 1.142 260 R CA 2.307 58.372 56.100 -0.058 0.000 0.953 260 R CB -0.614 29.689 30.300 0.004 0.000 0.860 260 R HN 0.206 nan 8.270 nan 0.000 0.438 261 D N 0.017 120.294 120.400 -0.205 0.000 2.350 261 D HA -0.074 4.566 4.640 -0.000 0.000 0.216 261 D C 0.291 176.389 176.300 -0.337 0.000 0.968 261 D CA 0.821 54.676 54.000 -0.241 0.000 0.894 261 D CB -0.095 40.567 40.800 -0.230 0.000 0.909 261 D HN 0.274 nan 8.370 nan 0.000 0.520 262 N N -0.262 118.152 118.700 -0.477 0.000 2.467 262 N HA 0.183 4.922 4.740 -0.000 0.000 0.278 262 N C 0.771 176.085 175.510 -0.326 0.000 1.306 262 N CA 0.112 52.859 53.050 -0.506 0.000 0.905 262 N CB 1.324 39.240 38.487 -0.952 0.000 1.236 262 N HN 0.053 nan 8.380 nan 0.000 0.509 263 G N 1.128 109.780 108.800 -0.248 0.000 2.187 263 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.261 263 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.261 263 G C 0.239 174.997 174.900 -0.236 0.000 1.000 263 G CA 0.792 45.773 45.100 -0.198 0.000 0.718 263 G HN 0.362 nan 8.290 nan 0.000 0.519 264 K N -0.813 119.438 120.400 -0.250 0.000 2.354 264 K HA 0.730 5.050 4.320 -0.000 0.000 0.238 264 K C -0.356 176.004 176.600 -0.401 0.000 1.068 264 K CA -0.991 55.208 56.287 -0.147 0.000 0.925 264 K CB 1.058 33.696 32.500 0.230 0.000 1.286 264 K HN 0.294 nan 8.250 nan 0.000 0.500 265 H N -0.595 118.589 119.070 0.190 0.000 2.689 265 H HA 0.504 5.059 4.556 -0.000 0.000 0.346 265 H C -1.214 174.161 175.328 0.077 0.000 1.037 265 H CA -0.746 55.352 56.048 0.083 0.000 1.234 265 H CB 1.996 31.744 29.762 -0.023 0.000 1.572 265 H HN 0.695 nan 8.280 nan 0.000 0.524 266 A N 2.978 125.883 122.820 0.141 0.000 2.413 266 A HA 0.603 4.923 4.320 -0.000 0.000 0.307 266 A C -1.291 176.304 177.584 0.019 0.000 1.087 266 A CA -0.707 51.357 52.037 0.044 0.000 0.750 266 A CB 1.961 21.007 19.000 0.077 0.000 1.296 266 A HN 0.481 nan 8.150 nan 0.000 0.423 267 L N 1.846 123.057 121.223 -0.020 0.000 2.362 267 L HA 0.815 5.155 4.340 -0.000 0.000 0.275 267 L C -1.102 175.722 176.870 -0.077 0.000 0.998 267 L CA -0.431 54.384 54.840 -0.042 0.000 0.820 267 L CB 1.367 43.405 42.059 -0.036 0.000 1.270 267 L HN 0.695 nan 8.230 nan 0.000 0.415 268 I N 5.150 125.628 120.570 -0.153 0.000 2.465 268 I HA 0.570 4.740 4.170 -0.000 0.000 0.291 268 I C -1.321 174.531 176.117 -0.442 0.000 1.014 268 I CA -0.732 60.379 61.300 -0.315 0.000 1.093 268 I CB 1.885 39.636 38.000 -0.415 0.000 1.267 268 I HN 0.420 nan 8.210 nan 0.000 0.431 269 V N 8.000 127.664 119.914 -0.417 0.000 2.370 269 V HA 0.312 4.432 4.120 -0.000 0.000 0.283 269 V C -1.097 174.661 176.094 -0.560 0.000 1.023 269 V CA -0.422 61.652 62.300 -0.377 0.000 0.857 269 V CB 1.170 32.917 31.823 -0.125 0.000 0.985 269 V HN 0.482 nan 8.190 nan 0.000 0.443 270 Y N 2.461 122.615 120.300 -0.243 0.000 2.595 270 Y HA 0.476 5.025 4.550 -0.000 0.000 0.336 270 Y C 0.226 175.964 175.900 -0.270 0.000 0.996 270 Y CA -1.010 56.922 58.100 -0.281 0.000 1.260 270 Y CB 0.813 39.117 38.460 -0.261 0.000 1.108 270 Y HN 0.542 nan 8.280 nan 0.000 0.509 271 D N 3.386 123.655 120.400 -0.220 0.000 2.432 271 D HA 0.218 4.858 4.640 -0.000 0.000 0.265 271 D C -1.226 175.015 176.300 -0.097 0.000 1.160 271 D CA -0.347 53.553 54.000 -0.167 0.000 0.911 271 D CB 0.190 40.860 40.800 -0.216 0.000 1.052 271 D HN 0.709 nan 8.370 nan 0.000 0.508 272 D N -0.241 120.131 120.400 -0.047 0.000 2.579 272 D HA 0.232 4.872 4.640 -0.000 0.000 0.257 272 D C 0.660 176.930 176.300 -0.050 0.000 1.176 272 D CA -0.741 53.230 54.000 -0.049 0.000 0.914 272 D CB 1.046 41.825 40.800 -0.035 0.000 1.431 272 D HN 0.010 nan 8.370 nan 0.000 0.454 273 L N 0.187 121.349 121.223 -0.103 0.000 2.313 273 L HA -0.018 4.322 4.340 -0.000 0.000 0.214 273 L C 1.871 178.738 176.870 -0.004 0.000 1.119 273 L CA 0.517 55.262 54.840 -0.159 0.000 0.809 273 L CB -0.377 41.394 42.059 -0.479 0.000 0.933 273 L HN 0.484 nan 8.230 nan 0.000 0.449 274 S N 0.440 116.137 115.700 -0.005 0.000 2.359 274 S HA -0.214 4.256 4.470 -0.000 0.000 0.223 274 S C 1.883 176.551 174.600 0.113 0.000 1.039 274 S CA 1.528 59.763 58.200 0.059 0.000 1.042 274 S CB -0.077 63.144 63.200 0.035 0.000 0.915 274 S HN 0.407 nan 8.310 nan 0.000 0.439 275 K N 0.780 121.231 120.400 0.085 0.000 2.288 275 K HA 0.007 4.327 4.320 -0.000 0.000 0.201 275 K C 2.372 179.050 176.600 0.131 0.000 1.048 275 K CA 0.482 56.830 56.287 0.102 0.000 0.956 275 K CB -0.083 32.458 32.500 0.069 0.000 0.746 275 K HN 0.352 nan 8.250 nan 0.000 0.461 276 Q N 0.935 120.813 119.800 0.129 0.000 2.046 276 Q HA -0.125 4.214 4.340 -0.000 0.000 0.200 276 Q C 2.128 178.272 176.000 0.240 0.000 0.975 276 Q CA 1.400 57.303 55.803 0.167 0.000 0.836 276 Q CB -0.081 28.726 28.738 0.115 0.000 0.896 276 Q HN 0.304 nan 8.270 nan 0.000 0.428 277 A N 0.179 123.145 122.820 0.244 0.000 1.917 277 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 277 A C 2.213 180.055 177.584 0.429 0.000 1.182 277 A CA 1.783 53.984 52.037 0.273 0.000 0.633 277 A CB -0.810 18.297 19.000 0.177 0.000 0.819 277 A HN 0.313 nan 8.150 nan 0.000 0.448 278 V N -0.600 119.512 119.914 0.330 0.000 2.453 278 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 278 V C 2.994 179.192 176.094 0.172 0.000 1.048 278 V CA 1.700 64.148 62.300 0.247 0.000 1.049 278 V CB -0.927 31.002 31.823 0.175 0.000 0.672 278 V HN 0.639 nan 8.190 nan 0.000 0.457 279 A N -0.896 122.040 122.820 0.193 0.000 1.902 279 A HA -0.263 4.056 4.320 -0.000 0.000 0.217 279 A C 2.154 179.853 177.584 0.193 0.000 1.181 279 A CA 1.975 54.120 52.037 0.180 0.000 0.623 279 A CB -0.770 18.358 19.000 0.214 0.000 0.818 279 A HN 0.597 nan 8.150 nan 0.000 0.443 280 Y N 0.480 120.852 120.300 0.120 0.000 2.224 280 Y HA -0.190 4.360 4.550 -0.001 0.000 0.289 280 Y C 2.499 178.411 175.900 0.019 0.000 1.146 280 Y CA 1.998 60.113 58.100 0.026 0.000 1.182 280 Y CB -0.327 38.177 38.460 0.073 0.000 0.983 280 Y HN 0.350 nan 8.280 nan 0.000 0.524 281 R N 0.268 120.828 120.500 0.099 0.000 2.120 281 R HA -0.230 4.109 4.340 -0.000 0.000 0.234 281 R C 2.380 178.603 176.300 -0.128 0.000 1.123 281 R CA 1.757 57.818 56.100 -0.065 0.000 0.975 281 R CB -0.356 29.846 30.300 -0.162 0.000 0.866 281 R HN 0.561 nan 8.270 nan 0.000 0.446 282 Q N 0.523 120.282 119.800 -0.067 0.000 2.084 282 Q HA -0.155 4.184 4.340 -0.000 0.000 0.202 282 Q C 2.060 177.999 176.000 -0.102 0.000 0.978 282 Q CA 1.675 57.438 55.803 -0.065 0.000 0.844 282 Q CB -0.054 28.677 28.738 -0.013 0.000 0.898 282 Q HN 0.456 nan 8.270 nan 0.000 0.426 283 L N -0.075 121.062 121.223 -0.143 0.000 2.109 283 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 283 L C 2.569 179.301 176.870 -0.231 0.000 1.086 283 L CA 0.926 55.663 54.840 -0.172 0.000 0.760 283 L CB -0.335 41.587 42.059 -0.228 0.000 0.910 283 L HN 0.150 nan 8.230 nan 0.000 0.437 284 S N 0.123 115.617 115.700 -0.344 0.000 2.383 284 S HA -0.066 4.403 4.470 -0.000 0.000 0.227 284 S C 1.990 176.481 174.600 -0.182 0.000 1.026 284 S CA 1.115 59.122 58.200 -0.322 0.000 0.981 284 S CB -0.185 62.769 63.200 -0.409 0.000 0.818 284 S HN 0.267 nan 8.310 nan 0.000 0.472 285 L N 0.854 121.985 121.223 -0.154 0.000 2.072 285 L HA -0.001 4.339 4.340 -0.000 0.000 0.205 285 L C 2.015 178.834 176.870 -0.084 0.000 1.079 285 L CA 0.916 55.691 54.840 -0.108 0.000 0.752 285 L CB -0.492 41.504 42.059 -0.104 0.000 0.906 285 L HN 0.274 nan 8.230 nan 0.000 0.436 286 L N -0.579 120.593 121.223 -0.084 0.000 2.275 286 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 286 L C 1.969 178.805 176.870 -0.057 0.000 1.119 286 L CA 0.727 55.530 54.840 -0.061 0.000 0.790 286 L CB -0.241 41.788 42.059 -0.051 0.000 0.919 286 L HN 0.272 nan 8.230 nan 0.000 0.443 287 L N -0.670 120.509 121.223 -0.073 0.000 2.591 287 L HA 0.121 4.460 4.340 -0.000 0.000 0.228 287 L C 0.678 177.517 176.870 -0.051 0.000 1.133 287 L CA 0.049 54.854 54.840 -0.059 0.000 0.880 287 L CB -0.109 41.906 42.059 -0.073 0.000 1.033 287 L HN 0.205 nan 8.230 nan 0.000 0.450 288 R N 0.051 120.517 120.500 -0.056 0.000 3.656 288 R HA -0.153 4.187 4.340 -0.000 0.000 0.297 288 R C 0.023 176.297 176.300 -0.043 0.000 1.166 288 R CA 0.368 56.441 56.100 -0.045 0.000 0.799 288 R CB -1.653 28.628 30.300 -0.031 0.000 1.285 288 R HN 0.384 nan 8.270 nan 0.000 0.477 289 R N 0.940 121.406 120.500 -0.057 0.000 2.582 289 R HA 0.223 4.563 4.340 -0.000 0.000 0.271 289 R C -2.053 174.223 176.300 -0.039 0.000 1.078 289 R CA -1.647 54.426 56.100 -0.045 0.000 1.127 289 R CB 0.297 30.561 30.300 -0.060 0.000 1.038 289 R HN -0.132 nan 8.270 nan 0.000 0.500 290 P HA 0.063 nan 4.420 nan 0.000 0.267 290 P C -2.330 174.957 177.300 -0.021 0.000 1.205 290 P CA -0.864 62.224 63.100 -0.020 0.000 0.765 290 P CB 0.154 31.849 31.700 -0.009 0.000 0.828 291 P HA 0.392 nan 4.420 nan 0.000 0.279 291 P C -0.113 177.166 177.300 -0.035 0.000 1.252 291 P CA -0.108 62.968 63.100 -0.039 0.000 0.811 291 P CB 1.621 33.286 31.700 -0.058 0.000 1.035 292 G N 0.598 109.373 108.800 -0.042 0.000 3.195 292 G HA2 0.422 4.382 3.960 -0.000 0.000 0.217 292 G HA3 0.422 4.382 3.960 -0.000 0.000 0.217 292 G C -0.730 174.105 174.900 -0.108 0.000 1.166 292 G CA -0.974 44.083 45.100 -0.072 0.000 0.812 292 G HN 0.591 nan 8.290 nan 0.000 0.617 293 R N 0.646 121.028 120.500 -0.197 0.000 2.500 293 R HA 0.036 4.376 4.340 -0.000 0.000 0.281 293 R C 0.327 176.574 176.300 -0.088 0.000 0.953 293 R CA 1.388 57.364 56.100 -0.207 0.000 1.108 293 R CB -0.363 29.690 30.300 -0.411 0.000 0.901 293 R HN 0.693 nan 8.270 nan 0.000 0.410 294 E N 2.780 122.982 120.200 0.002 0.000 2.551 294 E HA -0.350 3.999 4.350 -0.000 0.000 0.251 294 E C 0.391 176.923 176.600 -0.113 0.000 1.210 294 E CA 0.507 56.933 56.400 0.043 0.000 0.725 294 E CB -1.426 28.429 29.700 0.258 0.000 1.290 294 E HN 0.872 nan 8.360 nan 0.000 0.413 295 A N -2.206 120.545 122.820 -0.115 0.000 2.861 295 A HA -0.304 4.016 4.320 -0.000 0.000 0.261 295 A C 0.057 177.503 177.584 -0.229 0.000 1.351 295 A CA 1.698 53.635 52.037 -0.166 0.000 0.904 295 A CB -2.110 16.778 19.000 -0.185 0.000 1.076 295 A HN 0.440 nan 8.150 nan 0.000 0.729 296 Y N 0.408 120.703 120.300 -0.008 0.000 2.336 296 Y HA 0.440 4.989 4.550 -0.001 0.000 0.331 296 Y C -1.275 174.649 175.900 0.041 0.000 1.211 296 Y CA -1.144 56.996 58.100 0.067 0.000 1.346 296 Y CB 0.360 38.948 38.460 0.214 0.000 1.271 296 Y HN 0.257 nan 8.280 nan 0.000 0.538 297 P HA 0.070 nan 4.420 nan 0.000 0.277 297 P C 0.463 177.910 177.300 0.244 0.000 1.240 297 P CA -0.242 62.958 63.100 0.165 0.000 0.798 297 P CB 0.957 32.732 31.700 0.125 0.000 0.979 298 G N 1.135 110.038 108.800 0.172 0.000 2.776 298 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.209 298 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.209 298 G C 0.376 175.417 174.900 0.236 0.000 1.145 298 G CA 0.165 45.372 45.100 0.178 0.000 0.791 298 G HN 0.610 nan 8.290 nan 0.000 0.530 299 D N -0.612 119.970 120.400 0.303 0.000 2.538 299 D HA 0.082 4.722 4.640 -0.000 0.000 0.231 299 D C 1.481 178.001 176.300 0.367 0.000 1.229 299 D CA -0.526 53.693 54.000 0.365 0.000 0.828 299 D CB 0.097 41.136 40.800 0.399 0.000 1.035 299 D HN 0.028 nan 8.370 nan 0.000 0.495 300 V N -0.346 119.783 119.914 0.359 0.000 2.591 300 V HA -0.047 4.072 4.120 -0.000 0.000 0.249 300 V C 1.707 177.827 176.094 0.043 0.000 1.053 300 V CA 1.024 63.441 62.300 0.194 0.000 1.068 300 V CB -0.640 31.367 31.823 0.306 0.000 0.689 300 V HN 0.218 nan 8.190 nan 0.000 0.462 301 F N 0.141 120.121 119.950 0.050 0.000 2.102 301 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 301 F C 2.188 178.046 175.800 0.097 0.000 1.105 301 F CA 2.418 60.429 58.000 0.019 0.000 1.239 301 F CB -0.575 38.457 39.000 0.054 0.000 0.991 301 F HN 0.363 nan 8.300 nan 0.000 0.474 302 Y N 0.642 121.057 120.300 0.191 0.000 2.333 302 Y HA -0.196 4.354 4.550 -0.000 0.000 0.290 302 Y C 2.024 177.904 175.900 -0.033 0.000 1.144 302 Y CA 1.520 59.677 58.100 0.095 0.000 1.228 302 Y CB -0.806 37.741 38.460 0.146 0.000 0.985 302 Y HN 0.260 nan 8.280 nan 0.000 0.542 303 L N -0.549 120.601 121.223 -0.122 0.000 1.994 303 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 303 L C 2.276 179.074 176.870 -0.121 0.000 1.071 303 L CA 2.203 56.898 54.840 -0.242 0.000 0.745 303 L CB -0.744 41.041 42.059 -0.457 0.000 0.892 303 L HN 0.283 nan 8.230 nan 0.000 0.431 304 H N -1.739 117.182 119.070 -0.249 0.000 2.470 304 H HA -0.039 4.517 4.556 -0.000 0.000 0.289 304 H C 2.334 177.446 175.328 -0.361 0.000 1.033 304 H CA 0.802 56.646 56.048 -0.340 0.000 1.331 304 H CB 0.204 29.744 29.762 -0.369 0.000 1.414 304 H HN 0.546 nan 8.280 nan 0.000 0.545 305 S N 0.568 116.099 115.700 -0.283 0.000 2.414 305 S HA -0.069 4.400 4.470 -0.000 0.000 0.227 305 S C 1.994 176.534 174.600 -0.100 0.000 1.022 305 S CA 0.268 58.314 58.200 -0.256 0.000 0.958 305 S CB 0.051 63.049 63.200 -0.336 0.000 0.797 305 S HN 0.287 nan 8.310 nan 0.000 0.493 306 R N 0.213 120.658 120.500 -0.092 0.000 2.081 306 R HA 0.036 4.376 4.340 -0.000 0.000 0.235 306 R C 2.355 178.663 176.300 0.014 0.000 1.131 306 R CA 1.466 57.531 56.100 -0.058 0.000 0.960 306 R CB -0.554 29.623 30.300 -0.205 0.000 0.856 306 R HN 0.474 nan 8.270 nan 0.000 0.436 307 L N 0.685 121.902 121.223 -0.009 0.000 2.044 307 L HA -0.089 4.251 4.340 -0.000 0.000 0.205 307 L C 1.873 178.653 176.870 -0.151 0.000 1.075 307 L CA 1.646 56.395 54.840 -0.153 0.000 0.747 307 L CB -0.209 41.515 42.059 -0.558 0.000 0.903 307 L HN 0.104 nan 8.230 nan 0.000 0.435 308 L N -0.686 120.440 121.223 -0.162 0.000 2.313 308 L HA -0.017 4.323 4.340 -0.000 0.000 0.214 308 L C 2.167 179.015 176.870 -0.037 0.000 1.119 308 L CA 0.390 55.168 54.840 -0.104 0.000 0.809 308 L CB -0.480 41.491 42.059 -0.147 0.000 0.933 308 L HN 0.281 nan 8.230 nan 0.000 0.449 309 E N 0.327 120.510 120.200 -0.028 0.000 2.482 309 E HA -0.095 4.255 4.350 -0.000 0.000 0.196 309 E C 1.853 178.465 176.600 0.020 0.000 1.047 309 E CA 0.299 56.701 56.400 0.003 0.000 0.869 309 E CB 0.095 29.805 29.700 0.016 0.000 0.836 309 E HN 0.464 nan 8.360 nan 0.000 0.520 310 R N 0.682 121.196 120.500 0.024 0.000 2.235 310 R HA 0.069 4.409 4.340 -0.000 0.000 0.213 310 R C 0.853 177.181 176.300 0.046 0.000 1.059 310 R CA 0.306 56.431 56.100 0.042 0.000 0.997 310 R CB 0.133 30.468 30.300 0.058 0.000 0.884 310 R HN -0.071 nan 8.270 nan 0.000 0.462 311 A N 1.151 123.997 122.820 0.043 0.000 2.409 311 A HA 0.610 4.929 4.320 -0.000 0.000 0.267 311 A C -0.255 177.348 177.584 0.032 0.000 1.127 311 A CA 0.014 52.076 52.037 0.041 0.000 0.795 311 A CB 0.474 19.497 19.000 0.038 0.000 1.061 311 A HN 0.290 nan 8.150 nan 0.000 0.502 312 A N 2.310 125.150 122.820 0.033 0.000 2.601 312 A HA 0.724 5.044 4.320 -0.000 0.000 0.291 312 A C -0.900 176.707 177.584 0.038 0.000 1.075 312 A CA -0.741 51.315 52.037 0.032 0.000 0.671 312 A CB 1.101 20.117 19.000 0.028 0.000 1.277 312 A HN 0.849 nan 8.150 nan 0.000 0.417 313 K N 1.560 121.985 120.400 0.042 0.000 2.449 313 K HA 0.632 4.952 4.320 -0.000 0.000 0.257 313 K C -1.078 175.550 176.600 0.047 0.000 0.989 313 K CA -0.282 56.040 56.287 0.058 0.000 0.916 313 K CB 0.119 32.666 32.500 0.077 0.000 1.136 313 K HN 0.608 nan 8.250 nan 0.000 0.439 314 L N 2.903 124.145 121.223 0.032 0.000 2.467 314 L HA 0.202 4.542 4.340 -0.000 0.000 0.270 314 L C 0.820 177.703 176.870 0.022 0.000 1.205 314 L CA -0.342 54.507 54.840 0.014 0.000 0.828 314 L CB 0.888 42.939 42.059 -0.012 0.000 1.101 314 L HN 0.846 nan 8.230 nan 0.000 0.479 315 S N 0.489 116.195 115.700 0.010 0.000 2.617 315 S HA 0.083 4.553 4.470 -0.000 0.000 0.259 315 S C 0.797 175.399 174.600 0.004 0.000 1.301 315 S CA -0.571 57.632 58.200 0.006 0.000 0.984 315 S CB 1.017 64.216 63.200 -0.002 0.000 0.954 315 S HN 0.663 nan 8.310 nan 0.000 0.572 316 E N 0.448 120.648 120.200 0.001 0.000 2.047 316 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 316 E C 2.015 178.611 176.600 -0.008 0.000 0.987 316 E CA 0.997 57.397 56.400 0.001 0.000 0.799 316 E CB -0.193 29.506 29.700 -0.002 0.000 0.752 316 E HN 0.713 nan 8.360 nan 0.000 0.449 317 K N 0.837 121.231 120.400 -0.010 0.000 2.127 317 K HA -0.242 4.078 4.320 -0.000 0.000 0.208 317 K C 1.443 178.031 176.600 -0.020 0.000 1.047 317 K CA 1.546 57.825 56.287 -0.013 0.000 0.927 317 K CB 0.052 32.545 32.500 -0.012 0.000 0.716 317 K HN -0.100 nan 8.250 nan 0.000 0.450 318 E N -1.638 118.549 120.200 -0.022 0.000 2.451 318 E HA 0.121 4.471 4.350 -0.000 0.000 0.194 318 E C 0.241 176.813 176.600 -0.048 0.000 1.027 318 E CA 0.534 56.914 56.400 -0.033 0.000 0.914 318 E CB 0.819 30.502 29.700 -0.028 0.000 1.054 318 E HN 0.496 nan 8.360 nan 0.000 0.461 319 G N -0.538 108.238 108.800 -0.040 0.000 2.176 319 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.232 319 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.232 319 G C 0.718 175.592 174.900 -0.043 0.000 0.986 319 G CA 0.148 45.217 45.100 -0.052 0.000 0.643 319 G HN 0.316 nan 8.290 nan 0.000 0.522 320 S N -1.506 114.183 115.700 -0.017 0.000 3.270 320 S HA -0.178 4.291 4.470 -0.000 0.000 0.293 320 S C 1.772 176.366 174.600 -0.010 0.000 1.278 320 S CA 1.654 59.870 58.200 0.026 0.000 1.038 320 S CB -1.526 61.718 63.200 0.073 0.000 1.218 320 S HN 2.245 nan 8.310 nan 0.000 0.659 321 G N 0.779 109.502 108.800 -0.128 0.000 2.664 321 G HA2 0.471 4.430 3.960 -0.000 0.000 0.242 321 G HA3 0.471 4.430 3.960 -0.000 0.000 0.242 321 G C -0.222 174.593 174.900 -0.141 0.000 1.225 321 G CA 0.551 45.474 45.100 -0.295 0.000 0.849 321 G HN 0.690 nan 8.290 nan 0.000 0.581 322 S N -0.932 114.686 115.700 -0.137 0.000 2.546 322 S HA 0.608 5.077 4.470 -0.000 0.000 0.274 322 S C -1.541 173.103 174.600 0.074 0.000 1.121 322 S CA -0.680 57.570 58.200 0.083 0.000 0.887 322 S CB 1.610 65.028 63.200 0.364 0.000 1.094 322 S HN 0.755 nan 8.310 nan 0.000 0.474 323 L N 3.321 124.583 121.223 0.064 0.000 2.409 323 L HA 0.732 5.072 4.340 -0.000 0.000 0.272 323 L C -0.816 176.075 176.870 0.035 0.000 0.980 323 L CA 0.242 55.117 54.840 0.058 0.000 0.826 323 L CB 2.053 44.148 42.059 0.060 0.000 1.268 323 L HN 0.740 nan 8.230 nan 0.000 0.407 324 T N 4.089 118.651 114.554 0.013 0.000 2.824 324 T HA 0.838 5.187 4.350 -0.000 0.000 0.282 324 T C -0.613 174.065 174.700 -0.037 0.000 0.993 324 T CA -0.369 61.724 62.100 -0.011 0.000 0.967 324 T CB 1.540 70.392 68.868 -0.026 0.000 0.960 324 T HN 0.765 nan 8.240 nan 0.000 0.441 325 A N 3.528 126.331 122.820 -0.028 0.000 2.303 325 A HA 0.751 5.071 4.320 -0.000 0.000 0.320 325 A C -0.392 177.162 177.584 -0.050 0.000 1.192 325 A CA -0.703 51.305 52.037 -0.047 0.000 0.821 325 A CB 0.406 19.440 19.000 0.055 0.000 1.188 325 A HN 0.871 nan 8.150 nan 0.000 0.492 326 L N 4.909 126.076 121.223 -0.093 0.000 2.426 326 L HA 0.317 4.657 4.340 -0.000 0.000 0.255 326 L C -2.254 174.583 176.870 -0.055 0.000 1.080 326 L CA -1.737 53.065 54.840 -0.064 0.000 0.960 326 L CB 1.073 43.099 42.059 -0.055 0.000 1.326 326 L HN 0.494 nan 8.230 nan 0.000 0.441 327 P HA 0.122 nan 4.420 nan 0.000 0.275 327 P C -0.405 176.860 177.300 -0.058 0.000 1.227 327 P CA -0.113 63.001 63.100 0.023 0.000 0.781 327 P CB 1.947 33.629 31.700 -0.031 0.000 0.906 328 V N 4.722 124.597 119.914 -0.065 0.000 2.472 328 V HA 0.399 4.519 4.120 -0.000 0.000 0.290 328 V C 0.529 176.560 176.094 -0.105 0.000 1.037 328 V CA -0.555 61.697 62.300 -0.080 0.000 0.908 328 V CB 1.522 33.313 31.823 -0.054 0.000 0.985 328 V HN 0.439 nan 8.190 nan 0.000 0.454 329 I N 3.221 123.721 120.570 -0.117 0.000 2.533 329 I HA 0.398 4.568 4.170 -0.000 0.000 0.290 329 I C -0.066 175.993 176.117 -0.095 0.000 1.056 329 I CA -0.361 60.872 61.300 -0.112 0.000 1.057 329 I CB 2.097 40.012 38.000 -0.142 0.000 1.240 329 I HN 0.772 nan 8.210 nan 0.000 0.423 330 E N 5.106 125.273 120.200 -0.054 0.000 2.167 330 E HA 0.333 4.683 4.350 -0.000 0.000 0.284 330 E C -0.389 176.199 176.600 -0.020 0.000 1.016 330 E CA -0.360 56.019 56.400 -0.035 0.000 0.817 330 E CB 1.050 30.746 29.700 -0.007 0.000 1.080 330 E HN 0.683 nan 8.360 nan 0.000 0.397 331 T N 2.097 116.638 114.554 -0.023 0.000 2.847 331 T HA 0.280 4.630 4.350 -0.000 0.000 0.279 331 T C -0.025 174.699 174.700 0.040 0.000 0.984 331 T CA -0.986 61.122 62.100 0.015 0.000 0.988 331 T CB 1.302 70.189 68.868 0.032 0.000 1.040 331 T HN 0.332 nan 8.240 nan 0.000 0.528 332 Q N 0.406 120.241 119.800 0.057 0.000 2.348 332 Q HA 0.466 4.806 4.340 -0.000 0.000 0.265 332 Q C 0.907 176.946 176.000 0.066 0.000 0.998 332 Q CA -0.100 55.739 55.803 0.059 0.000 0.831 332 Q CB 1.171 29.947 28.738 0.064 0.000 1.251 332 Q HN 1.266 nan 8.270 nan 0.000 0.456 333 G N 1.868 110.705 108.800 0.062 0.000 2.390 333 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.299 333 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.299 333 G C 0.858 175.806 174.900 0.081 0.000 1.002 333 G CA 1.029 46.168 45.100 0.066 0.000 0.979 333 G HN 1.284 nan 8.290 nan 0.000 0.513 334 G N -0.816 108.046 108.800 0.103 0.000 2.155 334 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.257 334 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.257 334 G C 0.299 175.293 174.900 0.156 0.000 0.983 334 G CA 1.004 46.196 45.100 0.152 0.000 0.676 334 G HN 1.459 nan 8.290 nan 0.000 0.528 335 D N 0.684 121.154 120.400 0.117 0.000 2.435 335 D HA 0.385 5.025 4.640 -0.000 0.000 0.230 335 D C 1.819 178.187 176.300 0.113 0.000 1.215 335 D CA 0.315 54.379 54.000 0.106 0.000 0.947 335 D CB 0.511 41.363 40.800 0.085 0.000 1.048 335 D HN 0.569 nan 8.370 nan 0.000 0.512 336 V N 1.075 121.076 119.914 0.145 0.000 3.380 336 V HA -0.003 4.117 4.120 -0.000 0.000 0.268 336 V C 1.623 177.774 176.094 0.095 0.000 1.168 336 V CA 0.662 63.042 62.300 0.133 0.000 1.156 336 V CB -0.243 31.710 31.823 0.217 0.000 0.785 336 V HN 0.305 nan 8.190 nan 0.000 0.487 337 S N 0.717 116.473 115.700 0.093 0.000 2.562 337 S HA 0.464 4.934 4.470 -0.000 0.000 0.221 337 S C 1.346 176.008 174.600 0.104 0.000 0.975 337 S CA 0.436 58.689 58.200 0.089 0.000 0.918 337 S CB -0.206 63.043 63.200 0.082 0.000 0.772 337 S HN 0.882 nan 8.310 nan 0.000 0.531 338 A N 0.667 123.549 122.820 0.104 0.000 2.475 338 A HA 0.238 4.557 4.320 -0.000 0.000 0.239 338 A C 0.907 178.584 177.584 0.154 0.000 1.087 338 A CA -0.085 52.033 52.037 0.137 0.000 0.779 338 A CB -0.196 18.880 19.000 0.126 0.000 1.036 338 A HN 0.352 nan 8.150 nan 0.000 0.506 339 Y N 1.083 121.417 120.300 0.057 0.000 2.070 339 Y HA -0.232 4.318 4.550 -0.001 0.000 0.280 339 Y C 1.961 177.846 175.900 -0.025 0.000 1.148 339 Y CA 2.358 60.474 58.100 0.028 0.000 1.125 339 Y CB -0.158 38.334 38.460 0.052 0.000 0.975 339 Y HN 0.509 nan 8.280 nan 0.000 0.492 340 I N 0.432 120.891 120.570 -0.185 0.000 2.179 340 I HA -0.192 3.977 4.170 -0.000 0.000 0.242 340 I C -0.408 175.620 176.117 -0.149 0.000 1.088 340 I CA 1.385 62.526 61.300 -0.264 0.000 1.357 340 I CB -2.770 35.111 38.000 -0.198 0.000 1.051 340 I HN 0.183 nan 8.210 nan 0.000 0.409 341 P HA -0.113 nan 4.420 nan 0.000 0.216 341 P C 1.843 179.112 177.300 -0.052 0.000 1.150 341 P CA 1.675 64.737 63.100 -0.063 0.000 0.837 341 P CB -0.140 31.547 31.700 -0.021 0.000 0.786 342 T N -0.647 113.881 114.554 -0.042 0.000 2.652 342 T HA -0.161 4.188 4.350 -0.000 0.000 0.267 342 T C 1.614 176.305 174.700 -0.015 0.000 1.039 342 T CA 1.665 63.756 62.100 -0.015 0.000 1.153 342 T CB -0.984 67.886 68.868 0.004 0.000 0.863 342 T HN 0.112 nan 8.240 nan 0.000 0.428 343 N N 0.905 119.554 118.700 -0.085 0.000 2.007 343 N HA -0.094 4.646 4.740 -0.000 0.000 0.197 343 N C 2.015 177.519 175.510 -0.010 0.000 1.050 343 N CA 1.106 54.180 53.050 0.040 0.000 0.856 343 N CB -1.082 37.360 38.487 -0.075 0.000 1.050 343 N HN 0.188 nan 8.380 nan 0.000 0.423 344 V N 1.784 121.637 119.914 -0.101 0.000 2.295 344 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 344 V C 2.320 178.358 176.094 -0.093 0.000 1.049 344 V CA 1.209 63.417 62.300 -0.154 0.000 1.024 344 V CB -0.548 31.143 31.823 -0.221 0.000 0.648 344 V HN 0.270 nan 8.190 nan 0.000 0.447 345 I N 1.319 121.854 120.570 -0.059 0.000 2.185 345 I HA -0.295 3.874 4.170 -0.000 0.000 0.246 345 I C 2.424 178.547 176.117 0.010 0.000 1.088 345 I CA 2.178 63.464 61.300 -0.023 0.000 1.347 345 I CB -0.382 37.620 38.000 0.004 0.000 1.041 345 I HN 0.525 nan 8.210 nan 0.000 0.415 346 S N -0.398 115.328 115.700 0.043 0.000 2.558 346 S HA 0.141 4.611 4.470 -0.000 0.000 0.217 346 S C 1.647 176.296 174.600 0.082 0.000 0.975 346 S CA 0.114 58.363 58.200 0.082 0.000 0.912 346 S CB -0.232 63.051 63.200 0.139 0.000 0.776 346 S HN 0.427 nan 8.310 nan 0.000 0.526 347 I N 2.131 122.713 120.570 0.021 0.000 2.927 347 I HA 0.022 4.192 4.170 -0.000 0.000 0.268 347 I C 1.566 177.666 176.117 -0.029 0.000 1.153 347 I CA 0.650 61.935 61.300 -0.024 0.000 1.459 347 I CB -0.330 37.574 38.000 -0.160 0.000 1.149 347 I HN 0.371 nan 8.210 nan 0.000 0.443 348 T N -2.145 112.386 114.554 -0.039 0.000 2.729 348 T HA 0.103 4.452 4.350 -0.000 0.000 0.298 348 T C 0.520 175.216 174.700 -0.008 0.000 1.013 348 T CA -0.356 61.724 62.100 -0.033 0.000 0.957 348 T CB 0.833 69.672 68.868 -0.048 0.000 1.130 348 T HN 0.021 nan 8.240 nan 0.000 0.526 349 D N -0.167 120.229 120.400 -0.006 0.000 2.363 349 D HA 0.362 5.002 4.640 -0.000 0.000 0.214 349 D C 0.866 177.171 176.300 0.008 0.000 1.093 349 D CA 0.314 54.317 54.000 0.005 0.000 0.837 349 D CB 0.455 41.257 40.800 0.004 0.000 0.948 349 D HN 0.897 nan 8.370 nan 0.000 0.507 350 G N 0.344 109.146 108.800 0.004 0.000 2.337 350 G HA2 0.233 4.192 3.960 -0.000 0.000 0.298 350 G HA3 0.233 4.192 3.960 -0.000 0.000 0.298 350 G C -1.884 173.020 174.900 0.006 0.000 1.335 350 G CA -0.851 44.258 45.100 0.015 0.000 0.875 350 G HN -0.061 nan 8.290 nan 0.000 0.579 351 Q N -0.730 119.086 119.800 0.027 0.000 2.347 351 Q HA 0.717 5.056 4.340 -0.000 0.000 0.271 351 Q C -0.572 175.452 176.000 0.040 0.000 1.064 351 Q CA -0.386 55.425 55.803 0.013 0.000 0.800 351 Q CB 2.574 31.349 28.738 0.062 0.000 1.304 351 Q HN 0.581 nan 8.270 nan 0.000 0.438 352 I N 2.378 122.949 120.570 0.001 0.000 2.328 352 I HA 0.331 4.501 4.170 -0.000 0.000 0.287 352 I C -0.892 175.242 176.117 0.029 0.000 1.012 352 I CA -0.542 60.782 61.300 0.041 0.000 1.195 352 I CB 0.601 38.612 38.000 0.019 0.000 1.350 352 I HN 0.464 nan 8.210 nan 0.000 0.464 353 F N 7.340 127.293 119.950 0.006 0.000 2.391 353 F HA 0.482 5.009 4.527 -0.000 0.000 0.359 353 F C -0.158 175.648 175.800 0.011 0.000 1.122 353 F CA -0.357 57.647 58.000 0.007 0.000 1.120 353 F CB 0.733 39.739 39.000 0.009 0.000 1.142 353 F HN 0.204 nan 8.300 nan 0.000 0.483 354 L N 4.707 126.060 121.223 0.218 0.000 2.360 354 L HA 0.525 4.865 4.340 -0.000 0.000 0.271 354 L C -0.419 176.578 176.870 0.211 0.000 1.057 354 L CA -0.589 54.355 54.840 0.174 0.000 0.803 354 L CB 1.389 43.495 42.059 0.079 0.000 1.207 354 L HN 0.481 nan 8.230 nan 0.000 0.445 355 E N 0.209 120.491 120.200 0.136 0.000 2.292 355 E HA 0.344 4.694 4.350 -0.000 0.000 0.272 355 E C -0.012 176.600 176.600 0.020 0.000 0.881 355 E CA -0.526 55.930 56.400 0.094 0.000 0.754 355 E CB 2.234 31.981 29.700 0.078 0.000 1.201 355 E HN 0.697 nan 8.360 nan 0.000 0.425 356 A N 2.835 125.630 122.820 -0.042 0.000 1.940 356 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 356 A C 1.679 179.128 177.584 -0.225 0.000 1.176 356 A CA 1.461 53.358 52.037 -0.234 0.000 0.631 356 A CB -0.253 18.681 19.000 -0.110 0.000 0.814 356 A HN 0.655 nan 8.150 nan 0.000 0.446 357 E N -0.152 120.061 120.200 0.021 0.000 2.085 357 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 357 E C 2.028 178.679 176.600 0.085 0.000 0.994 357 E CA 1.260 57.732 56.400 0.121 0.000 0.801 357 E CB -0.322 29.438 29.700 0.100 0.000 0.743 357 E HN 0.694 nan 8.360 nan 0.000 0.453 358 L N -0.157 121.093 121.223 0.045 0.000 2.072 358 L HA -0.133 4.206 4.340 -0.000 0.000 0.205 358 L C 2.463 179.344 176.870 0.018 0.000 1.079 358 L CA 0.710 55.574 54.840 0.041 0.000 0.752 358 L CB -0.445 41.638 42.059 0.040 0.000 0.906 358 L HN 0.050 nan 8.230 nan 0.000 0.436 359 F N 0.442 120.284 119.950 -0.181 0.000 2.065 359 F HA -0.316 4.210 4.527 -0.001 0.000 0.298 359 F C 2.413 178.114 175.800 -0.165 0.000 1.112 359 F CA 1.740 59.599 58.000 -0.236 0.000 1.212 359 F CB -0.427 38.329 39.000 -0.408 0.000 0.975 359 F HN -0.026 nan 8.300 nan 0.000 0.476 360 Y N 0.255 120.747 120.300 0.321 0.000 2.333 360 Y HA -0.151 4.398 4.550 -0.001 0.000 0.290 360 Y C 2.325 178.266 175.900 0.069 0.000 1.144 360 Y CA 1.123 59.339 58.100 0.194 0.000 1.228 360 Y CB -1.161 37.395 38.460 0.160 0.000 0.985 360 Y HN 0.070 nan 8.280 nan 0.000 0.542 361 K N -0.922 119.573 120.400 0.158 0.000 2.362 361 K HA 0.006 4.325 4.320 -0.000 0.000 0.200 361 K C 1.653 178.268 176.600 0.025 0.000 1.046 361 K CA 0.927 57.265 56.287 0.085 0.000 0.952 361 K CB -0.251 32.289 32.500 0.066 0.000 0.753 361 K HN 0.533 nan 8.250 nan 0.000 0.466 362 G N 0.841 109.616 108.800 -0.041 0.000 2.352 362 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.204 362 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.204 362 G C 0.243 175.057 174.900 -0.143 0.000 1.004 362 G CA -0.325 44.718 45.100 -0.095 0.000 0.648 362 G HN 0.171 nan 8.290 nan 0.000 0.491 363 I N 2.615 123.124 120.570 -0.101 0.000 2.725 363 I HA 0.258 4.428 4.170 -0.000 0.000 0.296 363 I C 0.628 176.656 176.117 -0.149 0.000 1.155 363 I CA 0.566 61.816 61.300 -0.083 0.000 1.450 363 I CB -0.187 37.800 38.000 -0.021 0.000 1.478 363 I HN 0.134 nan 8.210 nan 0.000 0.642 364 R N 7.184 127.581 120.500 -0.173 0.000 2.621 364 R HA 0.458 4.798 4.340 -0.000 0.000 0.284 364 R C -2.628 173.613 176.300 -0.098 0.000 0.998 364 R CA -1.854 54.134 56.100 -0.186 0.000 0.895 364 R CB 1.548 31.631 30.300 -0.360 0.000 1.195 364 R HN 0.210 nan 8.270 nan 0.000 0.450 365 P HA -0.042 nan 4.420 nan 0.000 0.267 365 P C -0.540 176.764 177.300 0.006 0.000 1.200 365 P CA -0.060 63.029 63.100 -0.017 0.000 0.772 365 P CB 0.693 32.394 31.700 0.001 0.000 0.855 366 A N 4.421 127.278 122.820 0.061 0.000 3.118 366 A HA 0.250 4.570 4.320 -0.000 0.000 0.256 366 A C 0.563 178.196 177.584 0.082 0.000 1.667 366 A CA -0.386 51.696 52.037 0.074 0.000 1.338 366 A CB -1.409 17.685 19.000 0.156 0.000 1.127 366 A HN 0.461 nan 8.150 nan 0.000 0.634 367 I N 1.583 122.193 120.570 0.065 0.000 2.325 367 I HA 0.088 4.258 4.170 -0.000 0.000 0.291 367 I C 0.359 176.522 176.117 0.077 0.000 1.019 367 I CA -0.478 60.871 61.300 0.082 0.000 1.302 367 I CB 0.915 38.953 38.000 0.064 0.000 1.401 367 I HN 0.430 nan 8.210 nan 0.000 0.485 368 N N 6.664 125.420 118.700 0.094 0.000 2.415 368 N HA 0.085 4.825 4.740 -0.000 0.000 0.246 368 N C 0.595 176.132 175.510 0.045 0.000 1.078 368 N CA 0.037 53.113 53.050 0.044 0.000 0.942 368 N CB 1.537 40.012 38.487 -0.020 0.000 1.140 368 N HN 0.400 nan 8.380 nan 0.000 0.501 369 V N 3.795 123.734 119.914 0.042 0.000 2.379 369 V HA -0.074 4.046 4.120 -0.000 0.000 0.245 369 V C 2.334 178.447 176.094 0.032 0.000 1.044 369 V CA 2.056 64.385 62.300 0.047 0.000 1.036 369 V CB -0.809 31.047 31.823 0.055 0.000 0.664 369 V HN 0.775 nan 8.190 nan 0.000 0.453 370 G N -0.374 108.434 108.800 0.013 0.000 2.450 370 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.220 370 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.220 370 G C 1.446 176.334 174.900 -0.021 0.000 1.130 370 G CA 0.774 45.871 45.100 -0.006 0.000 0.760 370 G HN 0.504 nan 8.290 nan 0.000 0.557 371 L N 0.534 121.731 121.223 -0.043 0.000 2.616 371 L HA 0.237 4.577 4.340 -0.000 0.000 0.229 371 L C 0.574 177.490 176.870 0.077 0.000 1.110 371 L CA -0.222 54.581 54.840 -0.060 0.000 0.884 371 L CB 0.427 42.299 42.059 -0.311 0.000 1.115 371 L HN 0.010 nan 8.230 nan 0.000 0.481 372 S N 0.367 116.124 115.700 0.094 0.000 2.585 372 S HA 0.605 5.075 4.470 -0.000 0.000 0.277 372 S C -0.213 174.435 174.600 0.080 0.000 1.241 372 S CA -0.563 57.713 58.200 0.127 0.000 1.041 372 S CB 2.075 65.344 63.200 0.115 0.000 0.987 372 S HN 0.064 nan 8.310 nan 0.000 0.512 373 V N -0.553 119.404 119.914 0.073 0.000 3.147 373 V HA 0.861 4.980 4.120 -0.000 0.000 0.306 373 V C -0.594 175.522 176.094 0.036 0.000 1.209 373 V CA -0.796 61.533 62.300 0.048 0.000 1.023 373 V CB 1.899 33.748 31.823 0.043 0.000 1.059 373 V HN 0.686 nan 8.190 nan 0.000 0.435 374 S N 0.655 116.371 115.700 0.026 0.000 2.733 374 S HA 0.474 4.944 4.470 -0.000 0.000 0.307 374 S C 0.765 175.375 174.600 0.016 0.000 1.127 374 S CA -0.660 57.550 58.200 0.018 0.000 1.097 374 S CB 1.069 64.277 63.200 0.013 0.000 1.003 374 S HN 0.812 nan 8.310 nan 0.000 0.477 375 R N 2.546 123.056 120.500 0.017 0.000 2.170 375 R HA -0.080 4.260 4.340 -0.000 0.000 0.242 375 R C 1.685 177.994 176.300 0.014 0.000 1.145 375 R CA 1.497 57.607 56.100 0.017 0.000 0.984 375 R CB -0.273 30.037 30.300 0.018 0.000 0.869 375 R HN 0.548 nan 8.270 nan 0.000 0.455 376 V N -0.294 119.627 119.914 0.012 0.000 2.323 376 V HA -0.039 4.081 4.120 -0.000 0.000 0.244 376 V C 1.636 177.737 176.094 0.011 0.000 1.041 376 V CA 1.685 63.992 62.300 0.012 0.000 1.025 376 V CB -0.714 31.114 31.823 0.008 0.000 0.656 376 V HN 0.747 nan 8.190 nan 0.000 0.451 377 G N -0.129 108.676 108.800 0.009 0.000 2.509 377 G HA2 -0.353 3.606 3.960 -0.000 0.000 0.259 377 G HA3 -0.353 3.606 3.960 -0.000 0.000 0.259 377 G C 0.974 175.879 174.900 0.008 0.000 1.169 377 G CA 0.384 45.490 45.100 0.009 0.000 0.953 377 G HN 0.331 nan 8.290 nan 0.000 0.563 378 S N 0.693 116.399 115.700 0.009 0.000 2.374 378 S HA -0.058 4.412 4.470 -0.000 0.000 0.227 378 S C 2.843 177.449 174.600 0.010 0.000 1.037 378 S CA 2.564 60.769 58.200 0.010 0.000 1.024 378 S CB -0.778 62.428 63.200 0.011 0.000 0.861 378 S HN 1.804 nan 8.310 nan 0.000 0.456 379 A N 0.806 123.635 122.820 0.015 0.000 2.084 379 A HA 0.048 4.368 4.320 -0.000 0.000 0.221 379 A C 1.845 179.438 177.584 0.015 0.000 1.161 379 A CA 1.652 53.705 52.037 0.027 0.000 0.653 379 A CB -0.550 18.474 19.000 0.039 0.000 0.802 379 A HN 0.552 nan 8.150 nan 0.000 0.457 380 A N -1.599 121.217 122.820 -0.006 0.000 2.545 380 A HA 0.451 4.771 4.320 -0.000 0.000 0.277 380 A C 0.462 178.019 177.584 -0.044 0.000 1.301 380 A CA -0.070 51.945 52.037 -0.037 0.000 0.935 380 A CB -0.068 18.912 19.000 -0.034 0.000 1.093 380 A HN 0.534 nan 8.150 nan 0.000 0.519 381 Q N 0.304 120.088 119.800 -0.026 0.000 2.353 381 Q HA 0.519 4.859 4.340 -0.000 0.000 0.268 381 Q C -1.056 174.933 176.000 -0.019 0.000 1.045 381 Q CA -0.618 55.173 55.803 -0.019 0.000 0.811 381 Q CB 2.170 30.908 28.738 -0.000 0.000 1.305 381 Q HN 0.148 nan 8.270 nan 0.000 0.447 382 V N 4.819 124.722 119.914 -0.019 0.000 2.509 382 V HA -0.135 3.984 4.120 -0.000 0.000 0.297 382 V C 1.506 177.605 176.094 0.009 0.000 1.014 382 V CA 0.716 63.011 62.300 -0.008 0.000 1.127 382 V CB 0.547 32.374 31.823 0.007 0.000 0.925 382 V HN 0.906 nan 8.190 nan 0.000 0.480 383 K N 4.556 124.961 120.400 0.009 0.000 2.127 383 K HA -0.254 4.066 4.320 -0.000 0.000 0.208 383 K C 2.093 178.709 176.600 0.027 0.000 1.047 383 K CA 1.832 58.129 56.287 0.017 0.000 0.927 383 K CB -0.220 32.289 32.500 0.016 0.000 0.716 383 K HN 0.872 nan 8.250 nan 0.000 0.450 384 A N 0.676 123.512 122.820 0.027 0.000 1.908 384 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 384 A C 2.012 179.626 177.584 0.051 0.000 1.181 384 A CA 1.487 53.545 52.037 0.035 0.000 0.627 384 A CB -0.550 18.468 19.000 0.028 0.000 0.818 384 A HN 0.353 nan 8.150 nan 0.000 0.445 385 L N -0.267 120.983 121.223 0.046 0.000 2.131 385 L HA -0.002 4.337 4.340 -0.000 0.000 0.206 385 L C 2.292 179.194 176.870 0.053 0.000 1.087 385 L CA 2.341 57.214 54.840 0.054 0.000 0.767 385 L CB -0.549 41.538 42.059 0.045 0.000 0.917 385 L HN 0.490 nan 8.230 nan 0.000 0.441 386 K N -0.896 119.528 120.400 0.040 0.000 2.152 386 K HA -0.214 4.106 4.320 -0.000 0.000 0.206 386 K C 1.905 178.532 176.600 0.045 0.000 1.048 386 K CA 1.574 57.883 56.287 0.036 0.000 0.933 386 K CB -0.024 32.492 32.500 0.026 0.000 0.721 386 K HN 0.506 nan 8.250 nan 0.000 0.447 387 Q N -0.012 119.821 119.800 0.056 0.000 2.230 387 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 387 Q C 2.063 178.118 176.000 0.092 0.000 0.963 387 Q CA 1.528 57.372 55.803 0.068 0.000 0.866 387 Q CB 0.244 29.026 28.738 0.073 0.000 0.931 387 Q HN 0.371 nan 8.270 nan 0.000 0.452 388 V N -3.751 116.227 119.914 0.106 0.000 2.949 388 V HA 0.247 4.367 4.120 -0.000 0.000 0.245 388 V C 2.094 178.242 176.094 0.091 0.000 1.086 388 V CA 0.837 63.211 62.300 0.123 0.000 1.097 388 V CB -0.591 31.337 31.823 0.175 0.000 0.762 388 V HN 0.152 nan 8.190 nan 0.000 0.470 389 A N 1.738 124.602 122.820 0.073 0.000 2.019 389 A HA 0.060 4.380 4.320 -0.000 0.000 0.219 389 A C 2.325 179.933 177.584 0.040 0.000 1.164 389 A CA 1.848 53.919 52.037 0.058 0.000 0.644 389 A CB -1.405 17.623 19.000 0.047 0.000 0.805 389 A HN 0.700 nan 8.150 nan 0.000 0.449 390 G N 0.290 109.108 108.800 0.030 0.000 2.476 390 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 390 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 390 G C 1.912 176.796 174.900 -0.026 0.000 1.164 390 G CA 1.872 46.974 45.100 0.004 0.000 0.768 390 G HN 0.922 nan 8.290 nan 0.000 0.560 391 S N -0.163 115.527 115.700 -0.016 0.000 2.501 391 S HA 0.138 4.608 4.470 -0.000 0.000 0.220 391 S C 2.143 176.723 174.600 -0.033 0.000 0.997 391 S CA 0.752 58.891 58.200 -0.103 0.000 0.919 391 S CB -0.038 63.125 63.200 -0.063 0.000 0.778 391 S HN 0.174 nan 8.310 nan 0.000 0.523 392 L N 2.475 123.753 121.223 0.091 0.000 2.042 392 L HA 0.037 4.377 4.340 -0.000 0.000 0.210 392 L C 2.434 179.355 176.870 0.084 0.000 1.076 392 L CA 1.956 56.880 54.840 0.139 0.000 0.749 392 L CB -0.877 41.240 42.059 0.097 0.000 0.893 392 L HN 0.355 nan 8.230 nan 0.000 0.432 393 K N -1.024 119.394 120.400 0.029 0.000 2.103 393 K HA -0.235 4.085 4.320 -0.000 0.000 0.207 393 K C 2.112 178.708 176.600 -0.008 0.000 1.048 393 K CA 1.902 58.198 56.287 0.015 0.000 0.930 393 K CB -0.256 32.244 32.500 0.000 0.000 0.716 393 K HN 0.331 nan 8.250 nan 0.000 0.444 394 L N 0.512 121.683 121.223 -0.087 0.000 1.993 394 L HA -0.055 4.285 4.340 -0.000 0.000 0.206 394 L C 1.950 178.753 176.870 -0.111 0.000 1.074 394 L CA 1.611 56.351 54.840 -0.166 0.000 0.746 394 L CB -0.796 41.059 42.059 -0.340 0.000 0.896 394 L HN 0.095 nan 8.230 nan 0.000 0.435 395 F N -0.256 119.694 119.950 0.000 0.000 2.176 395 F HA -0.277 4.249 4.527 -0.001 0.000 0.301 395 F C 2.336 178.158 175.800 0.038 0.000 1.071 395 F CA 1.534 59.533 58.000 -0.002 0.000 1.289 395 F CB -1.014 37.961 39.000 -0.042 0.000 1.028 395 F HN 0.090 nan 8.300 nan 0.000 0.494 396 L N -1.250 120.098 121.223 0.209 0.000 2.131 396 L HA -0.080 4.260 4.340 -0.000 0.000 0.206 396 L C 2.664 179.646 176.870 0.187 0.000 1.087 396 L CA 0.860 55.822 54.840 0.205 0.000 0.767 396 L CB -0.923 41.222 42.059 0.145 0.000 0.917 396 L HN 0.116 nan 8.230 nan 0.000 0.441 397 A N -0.067 122.816 122.820 0.105 0.000 1.877 397 A HA -0.259 4.061 4.320 -0.000 0.000 0.216 397 A C 2.188 179.815 177.584 0.072 0.000 1.186 397 A CA 1.601 53.675 52.037 0.063 0.000 0.620 397 A CB -0.506 18.506 19.000 0.019 0.000 0.822 397 A HN 0.464 nan 8.150 nan 0.000 0.443 398 Q N -2.250 117.603 119.800 0.088 0.000 2.224 398 Q HA -0.176 4.164 4.340 -0.000 0.000 0.203 398 Q C 1.913 177.997 176.000 0.141 0.000 0.970 398 Q CA 1.574 57.431 55.803 0.090 0.000 0.865 398 Q CB -0.288 28.505 28.738 0.091 0.000 0.922 398 Q HN 0.849 nan 8.270 nan 0.000 0.445 399 Y N 1.147 121.478 120.300 0.051 0.000 2.220 399 Y HA -0.062 4.488 4.550 0.000 0.000 0.291 399 Y C 1.924 177.849 175.900 0.042 0.000 1.129 399 Y CA 1.222 59.349 58.100 0.045 0.000 1.161 399 Y CB 0.082 38.571 38.460 0.048 0.000 0.997 399 Y HN -0.143 nan 8.280 nan 0.000 0.522 400 R N 0.240 120.700 120.500 -0.066 0.000 2.152 400 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 400 R C 2.068 178.306 176.300 -0.103 0.000 1.117 400 R CA 1.608 57.615 56.100 -0.155 0.000 0.981 400 R CB -0.180 30.094 30.300 -0.044 0.000 0.870 400 R HN 0.507 nan 8.270 nan 0.000 0.451 401 E N -0.169 120.010 120.200 -0.035 0.000 2.106 401 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 401 E C 1.264 177.891 176.600 0.046 0.000 0.984 401 E CA 1.014 57.416 56.400 0.004 0.000 0.806 401 E CB 0.313 30.024 29.700 0.019 0.000 0.750 401 E HN 0.081 nan 8.360 nan 0.000 0.458 402 V N 0.582 120.514 119.914 0.030 0.000 3.542 402 V HA 0.137 4.257 4.120 -0.000 0.000 0.296 402 V C 1.703 177.867 176.094 0.116 0.000 1.364 402 V CA 0.598 62.979 62.300 0.135 0.000 1.118 402 V CB 0.137 31.960 31.823 -0.001 0.000 0.972 402 V HN 0.223 nan 8.190 nan 0.000 0.430 403 A N 1.464 124.227 122.820 -0.095 0.000 1.884 403 A HA -0.274 4.045 4.320 -0.000 0.000 0.219 403 A C 2.461 180.014 177.584 -0.051 0.000 1.197 403 A CA 2.478 54.388 52.037 -0.212 0.000 0.637 403 A CB -0.821 18.014 19.000 -0.275 0.000 0.827 403 A HN 0.660 nan 8.150 nan 0.000 0.450 404 A N -1.586 121.217 122.820 -0.027 0.000 1.986 404 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 404 A C 1.785 179.321 177.584 -0.079 0.000 1.171 404 A CA 1.530 53.520 52.037 -0.078 0.000 0.640 404 A CB -0.855 18.053 19.000 -0.154 0.000 0.811 404 A HN 0.514 nan 8.150 nan 0.000 0.451 405 F N 0.009 119.935 119.950 -0.039 0.000 2.722 405 F HA 0.057 4.584 4.527 -0.000 0.000 0.298 405 F C 2.246 178.041 175.800 -0.008 0.000 1.175 405 F CA 0.452 58.441 58.000 -0.018 0.000 1.462 405 F CB -0.189 38.804 39.000 -0.011 0.000 1.111 405 F HN 0.261 nan 8.300 nan 0.000 0.592 406 A N -0.922 121.971 122.820 0.122 0.000 2.248 406 A HA -0.005 4.314 4.320 -0.000 0.000 0.210 406 A C 0.827 178.445 177.584 0.057 0.000 1.174 406 A CA 0.719 52.809 52.037 0.089 0.000 0.750 406 A CB -0.498 18.541 19.000 0.066 0.000 0.780 406 A HN 0.332 nan 8.150 nan 0.000 0.478 411 D N 1.821 122.248 120.400 0.045 0.000 2.458 411 D HA 0.654 5.294 4.640 -0.000 0.000 0.258 411 D C -0.968 175.371 176.300 0.065 0.000 1.134 411 D CA 0.138 54.164 54.000 0.045 0.000 0.915 411 D CB 0.964 41.787 40.800 0.040 0.000 1.028 411 D HN 0.486 nan 8.370 nan 0.000 0.508 412 L N 1.880 123.131 121.223 0.048 0.000 2.431 412 L HA 0.427 4.766 4.340 -0.000 0.000 0.266 412 L C 0.123 176.993 176.870 -0.000 0.000 0.978 412 L CA -1.218 53.645 54.840 0.038 0.000 0.822 412 L CB 2.109 44.197 42.059 0.048 0.000 1.310 412 L HN 0.168 nan 8.230 nan 0.000 0.409 413 D N 1.980 122.365 120.400 -0.026 0.000 2.398 413 D HA 0.181 4.820 4.640 -0.000 0.000 0.247 413 D C 1.018 177.294 176.300 -0.039 0.000 1.227 413 D CA -0.073 53.908 54.000 -0.032 0.000 0.980 413 D CB 1.234 42.010 40.800 -0.039 0.000 1.106 413 D HN 0.540 nan 8.370 nan 0.000 0.493 414 A N 0.886 123.686 122.820 -0.034 0.000 1.869 414 A HA -0.273 4.046 4.320 -0.000 0.000 0.218 414 A C 2.331 179.891 177.584 -0.041 0.000 1.203 414 A CA 3.568 55.585 52.037 -0.033 0.000 0.638 414 A CB -1.376 17.606 19.000 -0.029 0.000 0.831 414 A HN 0.742 nan 8.150 nan 0.000 0.450 415 S N -0.411 115.261 115.700 -0.046 0.000 2.356 415 S HA -0.187 4.283 4.470 -0.000 0.000 0.223 415 S C 1.922 176.489 174.600 -0.054 0.000 1.032 415 S CA 2.256 60.429 58.200 -0.044 0.000 1.005 415 S CB -1.521 61.652 63.200 -0.045 0.000 0.867 415 S HN 0.757 nan 8.310 nan 0.000 0.449 416 T N -0.029 114.469 114.554 -0.092 0.000 2.951 416 T HA 0.117 4.467 4.350 -0.000 0.000 0.268 416 T C 1.724 176.388 174.700 -0.060 0.000 1.073 416 T CA 1.080 63.106 62.100 -0.123 0.000 1.134 416 T CB -0.314 68.385 68.868 -0.282 0.000 0.884 416 T HN 0.476 nan 8.240 nan 0.000 0.479 417 K N 0.636 121.010 120.400 -0.044 0.000 2.097 417 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 417 K C 2.574 179.160 176.600 -0.024 0.000 1.050 417 K CA 1.116 57.392 56.287 -0.019 0.000 0.938 417 K CB -0.109 32.379 32.500 -0.020 0.000 0.718 417 K HN 0.194 nan 8.250 nan 0.000 0.442 418 Q N 0.571 120.348 119.800 -0.038 0.000 2.050 418 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 418 Q C 1.666 177.635 176.000 -0.051 0.000 0.980 418 Q CA 2.555 58.324 55.803 -0.056 0.000 0.840 418 Q CB -0.646 28.058 28.738 -0.057 0.000 0.898 418 Q HN 0.308 nan 8.270 nan 0.000 0.424 419 T N 0.972 115.522 114.554 -0.005 0.000 2.803 419 T HA -0.122 4.227 4.350 -0.000 0.000 0.269 419 T C 1.751 176.505 174.700 0.091 0.000 1.052 419 T CA 1.278 63.409 62.100 0.052 0.000 1.136 419 T CB -0.215 68.707 68.868 0.090 0.000 0.864 419 T HN 0.204 nan 8.240 nan 0.000 0.467 420 L N 0.458 121.737 121.223 0.092 0.000 2.072 420 L HA -0.058 4.282 4.340 -0.000 0.000 0.205 420 L C 2.689 179.555 176.870 -0.007 0.000 1.079 420 L CA 0.808 55.735 54.840 0.147 0.000 0.752 420 L CB -0.555 41.584 42.059 0.133 0.000 0.906 420 L HN 0.151 nan 8.230 nan 0.000 0.436 421 V N -0.340 119.538 119.914 -0.060 0.000 2.255 421 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 421 V C 2.719 178.690 176.094 -0.204 0.000 1.051 421 V CA 1.638 63.866 62.300 -0.119 0.000 1.018 421 V CB -0.656 31.098 31.823 -0.114 0.000 0.641 421 V HN 0.411 nan 8.190 nan 0.000 0.445 422 R N 0.348 120.700 120.500 -0.247 0.000 2.070 422 R HA -0.113 4.227 4.340 -0.000 0.000 0.233 422 R C 2.526 178.590 176.300 -0.393 0.000 1.137 422 R CA 1.689 57.585 56.100 -0.340 0.000 0.945 422 R CB -1.476 28.552 30.300 -0.454 0.000 0.845 422 R HN 0.574 nan 8.270 nan 0.000 0.430 423 G N 1.420 109.915 108.800 -0.509 0.000 2.529 423 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.219 423 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.219 423 G C 1.329 175.602 174.900 -1.046 0.000 1.177 423 G CA 1.145 45.575 45.100 -1.116 0.000 0.773 423 G HN 0.415 nan 8.290 nan 0.000 0.573 424 E N -0.063 119.715 120.200 -0.703 0.000 2.085 424 E HA -0.140 4.209 4.350 -0.000 0.000 0.194 424 E C 2.811 179.274 176.600 -0.229 0.000 0.994 424 E CA 0.990 57.206 56.400 -0.306 0.000 0.801 424 E CB -0.098 29.526 29.700 -0.127 0.000 0.743 424 E HN 0.367 nan 8.360 nan 0.000 0.453 425 R N 0.189 120.543 120.500 -0.243 0.000 2.073 425 R HA -0.031 4.309 4.340 -0.000 0.000 0.229 425 R C 2.451 178.636 176.300 -0.190 0.000 1.120 425 R CA 0.735 56.714 56.100 -0.203 0.000 0.967 425 R CB -0.174 29.991 30.300 -0.225 0.000 0.862 425 R HN 0.132 nan 8.270 nan 0.000 0.436 426 L N -0.127 120.962 121.223 -0.223 0.000 2.046 426 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 426 L C 2.244 179.047 176.870 -0.112 0.000 1.077 426 L CA 1.413 56.159 54.840 -0.157 0.000 0.747 426 L CB -0.718 41.252 42.059 -0.148 0.000 0.896 426 L HN 0.231 nan 8.230 nan 0.000 0.432 427 T N -1.195 113.274 114.554 -0.142 0.000 2.684 427 T HA -0.304 4.046 4.350 -0.000 0.000 0.267 427 T C 1.861 176.533 174.700 -0.047 0.000 1.036 427 T CA 1.663 63.724 62.100 -0.064 0.000 1.148 427 T CB -0.188 68.661 68.868 -0.031 0.000 0.863 427 T HN 0.221 nan 8.240 nan 0.000 0.436 428 Q N 0.543 120.302 119.800 -0.068 0.000 2.084 428 Q HA 0.059 4.399 4.340 -0.000 0.000 0.202 428 Q C 2.150 178.129 176.000 -0.034 0.000 0.978 428 Q CA 1.195 56.969 55.803 -0.049 0.000 0.844 428 Q CB -0.605 28.098 28.738 -0.060 0.000 0.898 428 Q HN 0.489 nan 8.270 nan 0.000 0.426 429 L N -0.254 120.943 121.223 -0.043 0.000 2.081 429 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 429 L C 1.949 178.822 176.870 0.006 0.000 1.080 429 L CA 1.041 55.874 54.840 -0.011 0.000 0.754 429 L CB -0.330 41.718 42.059 -0.018 0.000 0.893 429 L HN 0.331 nan 8.230 nan 0.000 0.433 430 L N -1.070 120.150 121.223 -0.004 0.000 2.395 430 L HA -0.068 4.272 4.340 -0.000 0.000 0.218 430 L C 0.975 177.844 176.870 -0.002 0.000 1.130 430 L CA 0.202 55.045 54.840 0.006 0.000 0.826 430 L CB -0.516 41.549 42.059 0.010 0.000 0.941 430 L HN 0.102 nan 8.230 nan 0.000 0.451 431 K N 1.771 122.164 120.400 -0.012 0.000 2.524 431 K HA 0.036 4.356 4.320 -0.000 0.000 0.279 431 K C 0.002 176.594 176.600 -0.015 0.000 0.993 431 K CA 0.668 56.939 56.287 -0.026 0.000 1.030 431 K CB 0.325 32.805 32.500 -0.033 0.000 0.891 431 K HN 0.074 nan 8.250 nan 0.000 0.488 432 Q N 2.517 122.300 119.800 -0.028 0.000 2.327 432 Q HA 0.153 4.493 4.340 -0.000 0.000 0.265 432 Q C -1.377 174.601 176.000 -0.036 0.000 0.993 432 Q CA -0.817 54.976 55.803 -0.017 0.000 0.885 432 Q CB 1.274 30.008 28.738 -0.008 0.000 1.379 432 Q HN 0.487 nan 8.270 nan 0.000 0.408 433 N N 2.240 120.928 118.700 -0.020 0.000 2.453 433 N HA 0.019 4.759 4.740 -0.000 0.000 0.253 433 N C -0.579 174.895 175.510 -0.061 0.000 1.252 433 N CA 0.103 53.137 53.050 -0.027 0.000 0.917 433 N CB 0.666 39.162 38.487 0.015 0.000 1.117 433 N HN 0.562 nan 8.380 nan 0.000 0.442 434 Q N 0.518 120.244 119.800 -0.124 0.000 2.432 434 Q HA -0.033 4.307 4.340 -0.000 0.000 0.264 434 Q C -0.408 175.469 176.000 -0.205 0.000 1.035 434 Q CA 0.019 55.625 55.803 -0.329 0.000 0.908 434 Q CB 0.183 28.547 28.738 -0.624 0.000 1.280 434 Q HN 0.592 nan 8.270 nan 0.000 0.455 435 Y N -0.264 120.013 120.300 -0.038 0.000 4.177 435 Y HA -0.250 4.300 4.550 -0.000 0.000 0.227 435 Y C -0.134 175.764 175.900 -0.005 0.000 1.154 435 Y CA 0.847 58.896 58.100 -0.085 0.000 1.887 435 Y CB -2.180 36.221 38.460 -0.098 0.000 1.594 435 Y HN 0.377 nan 8.280 nan 0.000 0.668 436 S N 0.253 116.007 115.700 0.089 0.000 2.399 436 S HA 0.252 4.722 4.470 -0.000 0.000 0.198 436 S C -2.282 172.344 174.600 0.043 0.000 1.294 436 S CA -0.815 57.432 58.200 0.078 0.000 1.237 436 S CB 1.243 64.483 63.200 0.067 0.000 1.286 436 S HN 0.141 nan 8.310 nan 0.000 0.404 437 P HA 0.289 nan 4.420 nan 0.000 0.275 437 P C -0.738 176.575 177.300 0.022 0.000 1.228 437 P CA -0.334 62.785 63.100 0.031 0.000 0.786 437 P CB 1.016 32.740 31.700 0.039 0.000 0.927 438 L N 1.484 122.721 121.223 0.023 0.000 2.346 438 L HA 0.566 4.906 4.340 -0.000 0.000 0.274 438 L C 0.750 177.626 176.870 0.011 0.000 1.007 438 L CA -1.175 53.672 54.840 0.013 0.000 0.818 438 L CB 1.900 43.974 42.059 0.024 0.000 1.284 438 L HN 0.425 nan 8.230 nan 0.000 0.424 439 A N 1.675 124.483 122.820 -0.019 0.000 2.406 439 A HA 0.230 4.550 4.320 -0.000 0.000 0.243 439 A C 1.220 178.818 177.584 0.024 0.000 1.082 439 A CA -0.010 52.014 52.037 -0.022 0.000 0.786 439 A CB 0.339 19.294 19.000 -0.075 0.000 1.029 439 A HN 0.873 nan 8.150 nan 0.000 0.495 440 T N 0.953 115.545 114.554 0.062 0.000 2.699 440 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 440 T C 1.688 176.408 174.700 0.034 0.000 1.036 440 T CA 1.878 64.016 62.100 0.064 0.000 1.147 440 T CB -0.232 68.689 68.868 0.087 0.000 0.862 440 T HN 0.879 nan 8.240 nan 0.000 0.446 441 E N 1.594 121.801 120.200 0.011 0.000 2.409 441 E HA -0.139 4.211 4.350 -0.000 0.000 0.198 441 E C 1.443 178.026 176.600 -0.029 0.000 1.024 441 E CA 0.976 57.368 56.400 -0.014 0.000 0.861 441 E CB -0.221 29.458 29.700 -0.034 0.000 0.788 441 E HN 0.596 nan 8.360 nan 0.000 0.521 442 E N 0.601 120.790 120.200 -0.020 0.000 2.216 442 E HA -0.018 4.331 4.350 -0.000 0.000 0.192 442 E C 2.111 178.727 176.600 0.025 0.000 0.973 442 E CA 0.248 56.635 56.400 -0.021 0.000 0.851 442 E CB 0.117 29.801 29.700 -0.027 0.000 0.804 442 E HN 0.313 nan 8.360 nan 0.000 0.477 443 Q N 0.489 120.313 119.800 0.041 0.000 2.046 443 Q HA -0.135 4.205 4.340 -0.000 0.000 0.200 443 Q C 2.603 178.658 176.000 0.093 0.000 0.975 443 Q CA 1.843 57.686 55.803 0.067 0.000 0.836 443 Q CB -0.147 28.627 28.738 0.061 0.000 0.896 443 Q HN 0.285 nan 8.270 nan 0.000 0.428 444 V N -1.419 118.544 119.914 0.082 0.000 2.358 444 V HA -0.086 4.033 4.120 -0.000 0.000 0.246 444 V C -1.013 175.185 176.094 0.173 0.000 1.047 444 V CA 1.132 63.499 62.300 0.110 0.000 1.035 444 V CB -1.835 30.035 31.823 0.077 0.000 0.658 444 V HN 0.162 nan 8.190 nan 0.000 0.452 445 P HA -0.017 nan 4.420 nan 0.000 0.218 445 P C 2.011 179.589 177.300 0.462 0.000 1.149 445 P CA 1.352 64.620 63.100 0.281 0.000 0.817 445 P CB -0.086 31.684 31.700 0.117 0.000 0.785 446 L N -1.404 120.026 121.223 0.344 0.000 2.005 446 L HA -0.119 4.220 4.340 -0.000 0.000 0.207 446 L C 2.405 179.395 176.870 0.200 0.000 1.072 446 L CA 1.393 56.419 54.840 0.311 0.000 0.744 446 L CB -0.804 41.395 42.059 0.233 0.000 0.895 446 L HN -0.112 nan 8.230 nan 0.000 0.433 447 I N -1.486 119.187 120.570 0.170 0.000 2.315 447 I HA -0.326 3.844 4.170 -0.000 0.000 0.248 447 I C 2.526 178.728 176.117 0.141 0.000 1.117 447 I CA 1.242 62.616 61.300 0.123 0.000 1.404 447 I CB -0.324 37.741 38.000 0.109 0.000 1.071 447 I HN 0.172 nan 8.210 nan 0.000 0.419 448 Y N 1.820 122.183 120.300 0.105 0.000 2.081 448 Y HA -0.381 4.168 4.550 -0.000 0.000 0.280 448 Y C 2.556 178.533 175.900 0.128 0.000 1.163 448 Y CA 1.779 59.947 58.100 0.115 0.000 1.135 448 Y CB -0.459 38.073 38.460 0.120 0.000 0.970 448 Y HN 0.137 nan 8.280 nan 0.000 0.498 449 A N 0.212 123.170 122.820 0.230 0.000 1.883 449 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 449 A C 2.493 180.055 177.584 -0.035 0.000 1.186 449 A CA 2.070 54.173 52.037 0.110 0.000 0.624 449 A CB -1.815 17.195 19.000 0.017 0.000 0.822 449 A HN 0.641 nan 8.150 nan 0.000 0.444 450 G N -0.554 108.198 108.800 -0.079 0.000 2.511 450 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.216 450 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.216 450 G C 1.527 176.301 174.900 -0.211 0.000 1.218 450 G CA 1.466 46.471 45.100 -0.158 0.000 0.788 450 G HN 0.368 nan 8.290 nan 0.000 0.560 451 V N 1.616 121.437 119.914 -0.154 0.000 2.380 451 V HA -0.213 3.907 4.120 -0.000 0.000 0.251 451 V C 2.403 178.342 176.094 -0.258 0.000 1.063 451 V CA 1.917 64.123 62.300 -0.156 0.000 1.055 451 V CB -0.416 31.417 31.823 0.018 0.000 0.657 451 V HN 0.403 nan 8.190 nan 0.000 0.455 452 N N -0.490 118.025 118.700 -0.308 0.000 2.467 452 N HA 0.048 4.788 4.740 -0.000 0.000 0.184 452 N C 1.527 176.748 175.510 -0.481 0.000 1.106 452 N CA 1.075 53.900 53.050 -0.375 0.000 0.892 452 N CB 1.026 39.230 38.487 -0.472 0.000 0.969 452 N HN 0.628 nan 8.380 nan 0.000 0.454 453 G N 0.273 108.810 108.800 -0.437 0.000 2.184 453 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.206 453 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.206 453 G C 0.440 175.111 174.900 -0.382 0.000 0.995 453 G CA -0.041 44.807 45.100 -0.419 0.000 0.651 453 G HN 0.467 nan 8.290 nan 0.000 0.511 454 H N 0.024 118.971 119.070 -0.205 0.000 2.561 454 H HA 0.302 4.858 4.556 -0.000 0.000 0.278 454 H C 2.468 177.654 175.328 -0.238 0.000 1.014 454 H CA 1.229 57.176 56.048 -0.168 0.000 1.211 454 H CB 0.105 29.800 29.762 -0.111 0.000 1.365 454 H HN 0.448 nan 8.280 nan 0.000 0.594 455 L N -0.434 120.649 121.223 -0.233 0.000 2.556 455 L HA -0.009 4.331 4.340 -0.000 0.000 0.226 455 L C 1.324 178.039 176.870 -0.258 0.000 1.089 455 L CA 0.033 54.665 54.840 -0.347 0.000 0.864 455 L CB 0.201 42.010 42.059 -0.417 0.000 1.067 455 L HN 0.160 nan 8.230 nan 0.000 0.477 456 D N 1.004 121.270 120.400 -0.224 0.000 2.172 456 D HA -0.193 4.447 4.640 -0.000 0.000 0.196 456 D C 2.096 178.310 176.300 -0.144 0.000 0.999 456 D CA 1.686 55.573 54.000 -0.188 0.000 0.856 456 D CB -0.280 40.406 40.800 -0.190 0.000 0.934 456 D HN 0.340 nan 8.370 nan 0.000 0.453 457 G N -0.191 108.533 108.800 -0.127 0.000 2.484 457 G HA2 -0.027 3.932 3.960 -0.000 0.000 0.218 457 G HA3 -0.027 3.932 3.960 -0.000 0.000 0.218 457 G C 0.764 175.612 174.900 -0.085 0.000 1.130 457 G CA -0.082 44.963 45.100 -0.091 0.000 0.784 457 G HN 0.224 nan 8.290 nan 0.000 0.543 458 I N 1.522 122.024 120.570 -0.114 0.000 2.428 458 I HA 0.177 4.346 4.170 -0.000 0.000 0.289 458 I C 0.539 176.601 176.117 -0.092 0.000 1.019 458 I CA -0.693 60.548 61.300 -0.097 0.000 1.351 458 I CB 1.345 39.261 38.000 -0.140 0.000 1.412 458 I HN 0.299 nan 8.210 nan 0.000 0.513 459 E N 5.817 125.983 120.200 -0.056 0.000 2.383 459 E HA 0.022 4.372 4.350 -0.000 0.000 0.264 459 E C 0.724 177.295 176.600 -0.047 0.000 1.050 459 E CA -0.644 55.728 56.400 -0.047 0.000 0.896 459 E CB 1.054 30.738 29.700 -0.027 0.000 0.982 459 E HN 0.478 nan 8.360 nan 0.000 0.424 460 L N 3.449 124.643 121.223 -0.047 0.000 2.081 460 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 460 L C 2.327 179.180 176.870 -0.028 0.000 1.080 460 L CA 2.602 57.414 54.840 -0.047 0.000 0.754 460 L CB -0.735 41.302 42.059 -0.037 0.000 0.893 460 L HN 0.827 nan 8.230 nan 0.000 0.433 461 S N -1.918 113.775 115.700 -0.013 0.000 2.489 461 S HA -0.068 4.402 4.470 -0.000 0.000 0.228 461 S C 1.952 176.561 174.600 0.015 0.000 0.995 461 S CA 0.293 58.494 58.200 0.001 0.000 0.934 461 S CB -0.388 62.815 63.200 0.005 0.000 0.771 461 S HN 0.478 nan 8.310 nan 0.000 0.522 462 R N 0.235 120.745 120.500 0.017 0.000 2.317 462 R HA 0.315 4.654 4.340 -0.000 0.000 0.208 462 R C 1.256 177.610 176.300 0.089 0.000 0.914 462 R CA -0.043 56.088 56.100 0.053 0.000 1.060 462 R CB -0.123 30.212 30.300 0.058 0.000 1.015 462 R HN 0.382 nan 8.270 nan 0.000 0.498 463 I N 0.286 120.877 120.570 0.035 0.000 2.315 463 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 463 I C 2.249 178.443 176.117 0.129 0.000 1.125 463 I CA 1.572 62.892 61.300 0.033 0.000 1.392 463 I CB -1.344 36.624 38.000 -0.053 0.000 1.065 463 I HN 0.219 nan 8.210 nan 0.000 0.424 464 G N 1.400 110.258 108.800 0.096 0.000 2.414 464 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.215 464 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.215 464 G C 1.504 176.484 174.900 0.133 0.000 1.188 464 G CA 0.789 45.947 45.100 0.098 0.000 0.783 464 G HN 0.620 nan 8.290 nan 0.000 0.537 465 E N -0.601 119.680 120.200 0.135 0.000 2.204 465 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 465 E C 2.058 178.779 176.600 0.201 0.000 0.989 465 E CA 0.553 57.036 56.400 0.138 0.000 0.824 465 E CB -0.427 29.338 29.700 0.109 0.000 0.756 465 E HN 0.381 nan 8.360 nan 0.000 0.477 466 F N 2.293 122.308 119.950 0.107 0.000 2.102 466 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 466 F C 2.288 178.189 175.800 0.168 0.000 1.105 466 F CA 2.128 60.229 58.000 0.167 0.000 1.239 466 F CB -0.191 38.867 39.000 0.098 0.000 0.991 466 F HN 0.078 nan 8.300 nan 0.000 0.474 467 E N -0.375 120.051 120.200 0.377 0.000 2.038 467 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 467 E C 2.344 179.009 176.600 0.109 0.000 1.000 467 E CA 1.678 58.240 56.400 0.271 0.000 0.803 467 E CB -0.412 29.416 29.700 0.214 0.000 0.750 467 E HN 0.407 nan 8.360 nan 0.000 0.448 468 S N 0.045 115.798 115.700 0.087 0.000 2.359 468 S HA -0.177 4.293 4.470 -0.000 0.000 0.222 468 S C 2.145 176.750 174.600 0.009 0.000 1.038 468 S CA 1.545 59.771 58.200 0.044 0.000 1.051 468 S CB -0.300 62.936 63.200 0.059 0.000 0.944 468 S HN 0.301 nan 8.310 nan 0.000 0.433 469 S N 0.747 116.470 115.700 0.037 0.000 2.368 469 S HA -0.056 4.414 4.470 -0.000 0.000 0.225 469 S C 1.546 176.036 174.600 -0.185 0.000 1.030 469 S CA 1.054 59.299 58.200 0.076 0.000 0.999 469 S CB -0.461 62.916 63.200 0.296 0.000 0.844 469 S HN 0.538 nan 8.310 nan 0.000 0.459 470 F N 2.362 121.842 119.950 -0.782 0.000 2.171 470 F HA 0.006 4.533 4.527 -0.000 0.000 0.300 470 F C 1.750 177.237 175.800 -0.523 0.000 1.090 470 F CA 0.913 58.144 58.000 -1.282 0.000 1.293 470 F CB -0.507 37.753 39.000 -1.234 0.000 1.013 470 F HN 0.101 nan 8.300 nan 0.000 0.486 471 L N -0.388 120.635 121.223 -0.333 0.000 2.056 471 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 471 L C 2.642 179.367 176.870 -0.240 0.000 1.078 471 L CA 1.538 56.196 54.840 -0.304 0.000 0.749 471 L CB -0.964 41.012 42.059 -0.139 0.000 0.901 471 L HN 0.234 nan 8.230 nan 0.000 0.433 472 S N -1.149 114.465 115.700 -0.144 0.000 2.406 472 S HA -0.236 4.234 4.470 -0.000 0.000 0.228 472 S C 1.976 176.535 174.600 -0.068 0.000 1.020 472 S CA 0.675 58.824 58.200 -0.084 0.000 0.965 472 S CB -0.801 62.384 63.200 -0.024 0.000 0.798 472 S HN 0.474 nan 8.310 nan 0.000 0.488 473 Y N 2.531 122.719 120.300 -0.187 0.000 2.181 473 Y HA 0.018 4.568 4.550 -0.000 0.000 0.288 473 Y C 1.865 177.678 175.900 -0.145 0.000 1.146 473 Y CA 1.296 59.326 58.100 -0.116 0.000 1.164 473 Y CB -0.420 37.986 38.460 -0.091 0.000 0.982 473 Y HN 0.194 nan 8.280 nan 0.000 0.515 474 L N 0.082 121.094 121.223 -0.351 0.000 2.109 474 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 474 L C 2.392 179.096 176.870 -0.276 0.000 1.086 474 L CA 1.439 56.049 54.840 -0.383 0.000 0.760 474 L CB -0.437 41.328 42.059 -0.490 0.000 0.910 474 L HN 0.095 nan 8.230 nan 0.000 0.437 475 K N -0.632 119.629 120.400 -0.232 0.000 2.148 475 K HA -0.072 4.248 4.320 -0.000 0.000 0.204 475 K C 2.283 178.781 176.600 -0.169 0.000 1.050 475 K CA 1.198 57.382 56.287 -0.172 0.000 0.942 475 K CB -0.015 32.404 32.500 -0.134 0.000 0.724 475 K HN 0.125 nan 8.250 nan 0.000 0.446 476 S N 0.759 116.343 115.700 -0.193 0.000 2.395 476 S HA 0.011 4.481 4.470 -0.000 0.000 0.225 476 S C 1.313 175.761 174.600 -0.254 0.000 1.027 476 S CA 0.898 58.988 58.200 -0.184 0.000 0.965 476 S CB 0.041 63.156 63.200 -0.142 0.000 0.812 476 S HN 0.327 nan 8.310 nan 0.000 0.482 477 N N -0.755 117.706 118.700 -0.398 0.000 2.239 477 N HA 0.113 4.853 4.740 -0.000 0.000 0.208 477 N C -0.143 174.943 175.510 -0.707 0.000 1.200 477 N CA 0.255 52.973 53.050 -0.554 0.000 0.895 477 N CB 0.538 38.574 38.487 -0.751 0.000 1.085 477 N HN 0.366 nan 8.380 nan 0.000 0.500 478 H N -0.237 118.637 119.070 -0.326 0.000 2.665 478 H HA 0.204 4.760 4.556 -0.000 0.000 0.248 478 H C 0.598 175.811 175.328 -0.192 0.000 1.175 478 H CA -0.200 55.707 56.048 -0.235 0.000 0.952 478 H CB 0.551 30.167 29.762 -0.243 0.000 1.883 478 H HN 0.085 nan 8.280 nan 0.000 0.623 479 N N 1.595 120.224 118.700 -0.118 0.000 2.258 479 N HA -0.166 4.573 4.740 -0.000 0.000 0.187 479 N C 1.597 177.061 175.510 -0.077 0.000 1.012 479 N CA 1.309 54.297 53.050 -0.104 0.000 0.870 479 N CB 0.305 38.726 38.487 -0.111 0.000 0.977 479 N HN 0.485 nan 8.380 nan 0.000 0.434 480 E N -0.162 119.998 120.200 -0.065 0.000 2.110 480 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 480 E C 1.932 178.508 176.600 -0.039 0.000 0.988 480 E CA 1.069 57.440 56.400 -0.048 0.000 0.804 480 E CB -0.194 29.480 29.700 -0.043 0.000 0.745 480 E HN 0.505 nan 8.360 nan 0.000 0.458 481 L N 0.726 121.930 121.223 -0.032 0.000 2.056 481 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 481 L C 2.622 179.454 176.870 -0.062 0.000 1.078 481 L CA 0.817 55.630 54.840 -0.045 0.000 0.749 481 L CB -0.688 41.337 42.059 -0.055 0.000 0.901 481 L HN 0.110 nan 8.230 nan 0.000 0.433 482 L N -0.182 120.995 121.223 -0.076 0.000 2.043 482 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 482 L C 2.645 179.480 176.870 -0.060 0.000 1.075 482 L CA 1.727 56.519 54.840 -0.080 0.000 0.752 482 L CB -1.103 40.897 42.059 -0.100 0.000 0.891 482 L HN 0.338 nan 8.230 nan 0.000 0.432 483 T N -1.342 113.179 114.554 -0.055 0.000 2.904 483 T HA -0.189 4.160 4.350 -0.000 0.000 0.267 483 T C 1.785 176.466 174.700 -0.032 0.000 1.059 483 T CA 1.165 63.238 62.100 -0.045 0.000 1.137 483 T CB -0.022 68.819 68.868 -0.045 0.000 0.879 483 T HN 0.355 nan 8.240 nan 0.000 0.467 484 E N 0.565 120.746 120.200 -0.032 0.000 2.106 484 E HA -0.062 4.287 4.350 -0.000 0.000 0.192 484 E C 2.026 178.614 176.600 -0.020 0.000 0.984 484 E CA 0.721 57.107 56.400 -0.024 0.000 0.806 484 E CB -0.174 29.510 29.700 -0.026 0.000 0.750 484 E HN 0.467 nan 8.360 nan 0.000 0.458 485 I N 0.609 121.164 120.570 -0.026 0.000 2.142 485 I HA -0.290 3.880 4.170 -0.000 0.000 0.240 485 I C 2.824 178.940 176.117 -0.002 0.000 1.078 485 I CA 1.298 62.588 61.300 -0.016 0.000 1.343 485 I CB -0.313 37.673 38.000 -0.024 0.000 1.046 485 I HN 0.090 nan 8.210 nan 0.000 0.405 486 R N 0.948 121.444 120.500 -0.006 0.000 2.083 486 R HA -0.208 4.131 4.340 -0.000 0.000 0.237 486 R C 2.130 178.443 176.300 0.021 0.000 1.137 486 R CA 1.896 58.002 56.100 0.010 0.000 0.951 486 R CB -0.093 30.199 30.300 -0.012 0.000 0.851 486 R HN 0.414 nan 8.270 nan 0.000 0.434 487 E N -0.300 119.904 120.200 0.006 0.000 2.060 487 E HA -0.086 4.264 4.350 -0.000 0.000 0.189 487 E C 1.903 178.510 176.600 0.011 0.000 0.974 487 E CA 0.918 57.324 56.400 0.010 0.000 0.808 487 E CB 0.223 29.923 29.700 -0.001 0.000 0.768 487 E HN 0.284 nan 8.360 nan 0.000 0.453 488 K N -0.468 119.935 120.400 0.005 0.000 2.305 488 K HA 0.040 4.360 4.320 -0.000 0.000 0.199 488 K C 1.228 177.833 176.600 0.008 0.000 1.047 488 K CA 0.582 56.872 56.287 0.005 0.000 0.976 488 K CB 0.422 32.922 32.500 0.000 0.000 0.765 488 K HN 0.241 nan 8.250 nan 0.000 0.474 489 G N 2.188 110.994 108.800 0.012 0.000 2.180 489 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.263 489 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.263 489 G C -0.177 174.730 174.900 0.012 0.000 0.989 489 G CA 0.991 46.099 45.100 0.014 0.000 0.692 489 G HN 0.424 nan 8.290 nan 0.000 0.526 490 E N -1.609 118.596 120.200 0.009 0.000 2.445 490 E HA 0.726 5.076 4.350 -0.000 0.000 0.273 490 E C -0.705 175.898 176.600 0.006 0.000 0.961 490 E CA -1.098 55.308 56.400 0.011 0.000 0.807 490 E CB 1.537 31.243 29.700 0.010 0.000 1.362 490 E HN 0.116 nan 8.360 nan 0.000 0.453 491 L N 1.586 122.814 121.223 0.009 0.000 2.427 491 L HA 0.318 4.657 4.340 -0.000 0.000 0.264 491 L C -0.425 176.448 176.870 0.005 0.000 0.989 491 L CA -0.595 54.245 54.840 -0.000 0.000 0.865 491 L CB 1.699 43.758 42.059 0.000 0.000 1.209 491 L HN 0.391 nan 8.230 nan 0.000 0.430 492 S N 1.128 116.828 115.700 -0.000 0.000 2.572 492 S HA 0.048 4.518 4.470 -0.000 0.000 0.267 492 S C 1.229 175.832 174.600 0.005 0.000 1.361 492 S CA -0.397 57.805 58.200 0.004 0.000 1.009 492 S CB 0.952 64.152 63.200 -0.000 0.000 0.888 492 S HN 0.556 nan 8.310 nan 0.000 0.553 493 K N 0.868 121.276 120.400 0.013 0.000 2.209 493 K HA -0.142 4.177 4.320 -0.000 0.000 0.204 493 K C 1.760 178.367 176.600 0.012 0.000 1.048 493 K CA 1.227 57.526 56.287 0.020 0.000 0.940 493 K CB -0.072 32.443 32.500 0.024 0.000 0.729 493 K HN 0.449 nan 8.250 nan 0.000 0.451 494 E N 0.935 121.138 120.200 0.004 0.000 2.047 494 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 494 E C 1.842 178.431 176.600 -0.017 0.000 0.987 494 E CA 0.848 57.247 56.400 -0.001 0.000 0.799 494 E CB -0.173 29.527 29.700 -0.001 0.000 0.752 494 E HN 0.138 nan 8.360 nan 0.000 0.449 495 L N 0.231 121.437 121.223 -0.028 0.000 2.013 495 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 495 L C 2.340 179.150 176.870 -0.100 0.000 1.073 495 L CA 1.104 55.909 54.840 -0.058 0.000 0.753 495 L CB -0.433 41.594 42.059 -0.054 0.000 0.890 495 L HN 0.185 nan 8.230 nan 0.000 0.432 496 L N -0.742 120.435 121.223 -0.077 0.000 2.013 496 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 496 L C 2.799 179.616 176.870 -0.089 0.000 1.073 496 L CA 1.508 56.287 54.840 -0.101 0.000 0.753 496 L CB -0.768 41.306 42.059 0.024 0.000 0.890 496 L HN 0.306 nan 8.230 nan 0.000 0.432 497 A N -1.156 121.653 122.820 -0.017 0.000 1.930 497 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 497 A C 2.484 180.059 177.584 -0.014 0.000 1.175 497 A CA 1.864 53.909 52.037 0.014 0.000 0.627 497 A CB -0.474 18.542 19.000 0.028 0.000 0.815 497 A HN 0.378 nan 8.150 nan 0.000 0.443 498 S N -0.431 115.243 115.700 -0.044 0.000 2.348 498 S HA -0.130 4.339 4.470 -0.000 0.000 0.221 498 S C 1.853 176.386 174.600 -0.111 0.000 1.033 498 S CA 1.418 59.589 58.200 -0.049 0.000 1.010 498 S CB -0.439 62.737 63.200 -0.040 0.000 0.891 498 S HN 0.418 nan 8.310 nan 0.000 0.442 499 L N 2.193 123.298 121.223 -0.196 0.000 1.990 499 L HA -0.139 4.200 4.340 -0.000 0.000 0.213 499 L C 2.290 179.046 176.870 -0.189 0.000 1.072 499 L CA 1.901 56.562 54.840 -0.300 0.000 0.755 499 L CB -0.679 40.997 42.059 -0.639 0.000 0.889 499 L HN 0.218 nan 8.230 nan 0.000 0.432 500 K N -1.534 118.796 120.400 -0.117 0.000 2.074 500 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 500 K C 2.359 178.985 176.600 0.044 0.000 1.048 500 K CA 1.799 58.162 56.287 0.128 0.000 0.926 500 K CB -0.256 32.372 32.500 0.213 0.000 0.713 500 K HN 0.408 nan 8.250 nan 0.000 0.444 501 S N -0.364 115.347 115.700 0.017 0.000 2.357 501 S HA -0.053 4.417 4.470 -0.000 0.000 0.221 501 S C 2.012 176.626 174.600 0.024 0.000 1.031 501 S CA 1.045 59.266 58.200 0.034 0.000 0.982 501 S CB -0.298 62.929 63.200 0.046 0.000 0.853 501 S HN 0.454 nan 8.310 nan 0.000 0.458 502 A N 0.677 123.454 122.820 -0.073 0.000 1.940 502 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 502 A C 2.364 180.043 177.584 0.158 0.000 1.176 502 A CA 2.352 54.305 52.037 -0.140 0.000 0.631 502 A CB -1.586 17.071 19.000 -0.572 0.000 0.814 502 A HN 0.605 nan 8.150 nan 0.000 0.446 503 T N -0.361 114.270 114.554 0.127 0.000 2.737 503 T HA -0.119 4.230 4.350 -0.000 0.000 0.265 503 T C 1.807 176.494 174.700 -0.022 0.000 1.038 503 T CA 1.579 63.734 62.100 0.091 0.000 1.144 503 T CB -0.254 68.561 68.868 -0.089 0.000 0.866 503 T HN 0.644 nan 8.240 nan 0.000 0.434 504 E N 0.787 120.941 120.200 -0.077 0.000 2.118 504 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 504 E C 2.442 179.075 176.600 0.056 0.000 0.992 504 E CA 1.226 57.634 56.400 0.013 0.000 0.804 504 E CB -0.159 29.577 29.700 0.061 0.000 0.741 504 E HN 0.363 nan 8.360 nan 0.000 0.458 505 S N -0.023 115.730 115.700 0.089 0.000 2.359 505 S HA -0.203 4.266 4.470 -0.000 0.000 0.224 505 S C 1.784 176.401 174.600 0.029 0.000 1.035 505 S CA 1.196 59.460 58.200 0.105 0.000 1.018 505 S CB -0.296 63.035 63.200 0.219 0.000 0.876 505 S HN 0.368 nan 8.310 nan 0.000 0.448 506 F N 1.804 121.657 119.950 -0.162 0.000 2.163 506 F HA 0.064 4.591 4.527 -0.001 0.000 0.297 506 F C 2.116 177.801 175.800 -0.191 0.000 1.094 506 F CA 1.182 58.964 58.000 -0.363 0.000 1.290 506 F CB -0.507 38.249 39.000 -0.407 0.000 1.017 506 F HN 0.061 nan 8.300 nan 0.000 0.483 507 V N 0.809 120.716 119.914 -0.011 0.000 2.252 507 V HA -0.382 3.737 4.120 -0.000 0.000 0.249 507 V C 2.773 178.796 176.094 -0.117 0.000 1.056 507 V CA 2.082 64.380 62.300 -0.004 0.000 1.022 507 V CB -1.636 30.242 31.823 0.092 0.000 0.641 507 V HN 0.477 nan 8.190 nan 0.000 0.445 508 A N -1.345 121.420 122.820 -0.091 0.000 1.933 508 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 508 A C 1.810 179.304 177.584 -0.151 0.000 1.175 508 A CA 2.088 54.072 52.037 -0.089 0.000 0.628 508 A CB -0.636 18.338 19.000 -0.044 0.000 0.814 508 A HN 0.512 nan 8.150 nan 0.000 0.444 509 T N 0.000 114.409 114.554 -0.241 0.000 3.816 509 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 509 T CA 0.000 61.937 62.100 -0.271 0.000 1.349 509 T CB 0.000 68.678 68.868 -0.316 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658