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 1ohh_1_B DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAXX XXXXXXLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLGKI RTDGKISEES DAKLKEIVTN FLAGFEA 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.275 176.300 -0.041 0.000 2.045 24 D CA 0.000 53.986 54.000 -0.023 0.000 0.868 24 D CB 0.000 40.787 40.800 -0.022 0.000 0.688 25 L N 3.061 124.251 121.223 -0.055 0.000 2.872 25 L HA 0.353 4.693 4.340 -0.000 0.000 0.245 25 L C 1.146 177.961 176.870 -0.092 0.000 1.211 25 L CA -0.238 54.544 54.840 -0.096 0.000 1.013 25 L CB 0.228 42.203 42.059 -0.140 0.000 1.326 25 L HN 0.422 nan 8.230 nan 0.000 0.525 26 E N 0.309 120.471 120.200 -0.064 0.000 2.290 26 E HA 0.046 4.396 4.350 -0.000 0.000 0.197 26 E C 0.958 177.525 176.600 -0.054 0.000 0.948 26 E CA 0.625 56.992 56.400 -0.055 0.000 0.895 26 E CB 0.678 30.355 29.700 -0.039 0.000 0.865 26 E HN 0.360 nan 8.360 nan 0.000 0.486 27 E N 0.441 120.609 120.200 -0.054 0.000 2.630 27 E HA 0.192 4.542 4.350 -0.000 0.000 0.218 27 E C -0.010 176.551 176.600 -0.065 0.000 0.977 27 E CA 0.135 56.503 56.400 -0.053 0.000 1.038 27 E CB 1.495 31.171 29.700 -0.040 0.000 1.051 27 E HN -0.011 nan 8.360 nan 0.000 0.487 28 T N -0.588 113.922 114.554 -0.073 0.000 2.804 28 T HA 0.780 5.130 4.350 -0.000 0.000 0.290 28 T C -0.246 174.397 174.700 -0.096 0.000 1.099 28 T CA -0.644 61.409 62.100 -0.079 0.000 1.011 28 T CB 2.315 71.150 68.868 -0.056 0.000 1.291 28 T HN 0.113 nan 8.240 nan 0.000 0.523 29 G N 0.265 109.016 108.800 -0.083 0.000 2.556 29 G HA2 0.541 4.501 3.960 -0.000 0.000 0.294 29 G HA3 0.541 4.501 3.960 -0.000 0.000 0.294 29 G C -1.877 173.015 174.900 -0.013 0.000 1.516 29 G CA -0.929 44.129 45.100 -0.070 0.000 0.824 29 G HN 0.608 nan 8.290 nan 0.000 0.535 30 R N -0.118 120.417 120.500 0.058 0.000 2.598 30 R HA 0.588 4.928 4.340 -0.000 0.000 0.279 30 R C -0.254 176.110 176.300 0.107 0.000 0.984 30 R CA -0.790 55.361 56.100 0.086 0.000 0.999 30 R CB 2.312 32.676 30.300 0.106 0.000 1.114 30 R HN 0.287 nan 8.270 nan 0.000 0.493 31 V N 4.863 124.845 119.914 0.112 0.000 2.439 31 V HA 0.005 4.125 4.120 -0.000 0.000 0.271 31 V C 1.468 177.615 176.094 0.088 0.000 1.040 31 V CA 0.275 62.652 62.300 0.128 0.000 1.002 31 V CB 0.774 32.698 31.823 0.169 0.000 1.000 31 V HN 0.721 nan 8.190 nan 0.000 0.477 32 L N 3.905 125.175 121.223 0.079 0.000 2.131 32 L HA 0.079 4.419 4.340 -0.000 0.000 0.206 32 L C 1.020 177.907 176.870 0.029 0.000 1.087 32 L CA 1.108 55.973 54.840 0.042 0.000 0.767 32 L CB 0.034 42.114 42.059 0.035 0.000 0.917 32 L HN 0.835 nan 8.230 nan 0.000 0.441 33 S N -1.286 114.435 115.700 0.036 0.000 2.547 33 S HA 0.577 5.047 4.470 -0.000 0.000 0.270 33 S C -1.153 173.459 174.600 0.019 0.000 1.150 33 S CA -0.816 57.396 58.200 0.020 0.000 0.850 33 S CB 2.483 65.688 63.200 0.010 0.000 1.118 33 S HN -0.001 nan 8.310 nan 0.000 0.461 34 I N 1.058 121.628 120.570 0.001 0.000 2.563 34 I HA 0.821 4.991 4.170 -0.000 0.000 0.285 34 I C -0.345 175.758 176.117 -0.025 0.000 1.123 34 I CA 0.594 61.883 61.300 -0.018 0.000 1.059 34 I CB 1.194 39.171 38.000 -0.039 0.000 1.229 34 I HN 1.372 nan 8.210 nan 0.000 0.442 35 G N 4.057 112.842 108.800 -0.026 0.000 2.442 35 G HA2 0.462 4.422 3.960 -0.000 0.000 0.296 35 G HA3 0.462 4.422 3.960 -0.000 0.000 0.296 35 G C -0.696 174.189 174.900 -0.025 0.000 1.564 35 G CA -0.013 45.072 45.100 -0.025 0.000 0.828 35 G HN 0.585 nan 8.290 nan 0.000 0.571 36 D N -1.234 119.151 120.400 -0.026 0.000 2.748 36 D HA -0.113 4.527 4.640 -0.000 0.000 0.189 36 D C 1.741 178.021 176.300 -0.033 0.000 0.982 36 D CA 3.270 57.253 54.000 -0.028 0.000 1.017 36 D CB -1.170 39.614 40.800 -0.027 0.000 1.076 36 D HN 2.180 nan 8.370 nan 0.000 0.446 37 G N -1.324 107.455 108.800 -0.035 0.000 2.195 37 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.224 37 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.224 37 G C 0.001 174.874 174.900 -0.044 0.000 0.990 37 G CA 0.135 45.212 45.100 -0.038 0.000 0.639 37 G HN 0.426 nan 8.290 nan 0.000 0.514 38 I N 1.513 122.060 120.570 -0.037 0.000 2.465 38 I HA 0.706 4.876 4.170 -0.000 0.000 0.291 38 I C 0.368 176.478 176.117 -0.011 0.000 1.014 38 I CA -0.817 60.466 61.300 -0.028 0.000 1.093 38 I CB 1.571 39.556 38.000 -0.025 0.000 1.267 38 I HN 0.362 nan 8.210 nan 0.000 0.431 39 A N 7.874 130.702 122.820 0.014 0.000 2.260 39 A HA 0.590 4.909 4.320 -0.000 0.000 0.308 39 A C -0.032 177.601 177.584 0.081 0.000 1.254 39 A CA -0.692 51.378 52.037 0.055 0.000 0.874 39 A CB 0.423 19.488 19.000 0.108 0.000 1.153 39 A HN 0.559 nan 8.150 nan 0.000 0.527 40 R N 2.284 122.822 120.500 0.063 0.000 2.210 40 R HA 0.337 4.677 4.340 -0.000 0.000 0.338 40 R C -0.702 175.648 176.300 0.084 0.000 1.062 40 R CA -0.131 56.005 56.100 0.060 0.000 0.902 40 R CB 0.628 30.953 30.300 0.041 0.000 1.050 40 R HN 0.460 nan 8.270 nan 0.000 0.461 41 V N 3.408 123.369 119.914 0.077 0.000 2.472 41 V HA 0.154 4.274 4.120 -0.000 0.000 0.290 41 V C 0.087 176.236 176.094 0.092 0.000 1.037 41 V CA -0.873 61.472 62.300 0.074 0.000 0.908 41 V CB 1.425 33.257 31.823 0.014 0.000 0.985 41 V HN 0.648 nan 8.190 nan 0.000 0.454 42 H N 2.384 121.455 119.070 0.002 0.000 2.489 42 H HA 0.699 5.255 4.556 -0.000 0.000 0.322 42 H C 0.374 175.694 175.328 -0.012 0.000 1.091 42 H CA 0.907 56.954 56.048 -0.003 0.000 1.291 42 H CB 1.089 30.852 29.762 0.002 0.000 1.436 42 H HN 1.051 nan 8.280 nan 0.000 0.480 43 G N 3.221 111.685 108.800 -0.560 0.000 2.513 43 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.227 43 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.227 43 G C -0.084 174.697 174.900 -0.198 0.000 1.176 43 G CA -0.392 44.451 45.100 -0.428 0.000 0.967 43 G HN 1.220 nan 8.290 nan 0.000 0.587 44 L N -0.287 120.847 121.223 -0.148 0.000 3.737 44 L HA -0.242 4.098 4.340 -0.000 0.000 0.418 44 L C 2.201 179.022 176.870 -0.083 0.000 1.216 44 L CA 1.111 55.890 54.840 -0.102 0.000 0.915 44 L CB -0.956 41.047 42.059 -0.094 0.000 1.834 44 L HN 0.703 nan 8.230 nan 0.000 0.943 45 R N -0.005 120.441 120.500 -0.089 0.000 2.226 45 R HA -0.164 4.176 4.340 -0.000 0.000 0.246 45 R C 1.408 177.681 176.300 -0.046 0.000 1.161 45 R CA 1.615 57.675 56.100 -0.065 0.000 0.997 45 R CB -0.199 30.063 30.300 -0.063 0.000 0.870 45 R HN 0.559 nan 8.270 nan 0.000 0.465 46 N N 0.136 118.809 118.700 -0.046 0.000 2.205 46 N HA 0.020 4.760 4.740 -0.000 0.000 0.201 46 N C 0.102 175.594 175.510 -0.031 0.000 1.128 46 N CA 0.143 53.172 53.050 -0.034 0.000 0.867 46 N CB 0.633 39.102 38.487 -0.031 0.000 0.996 46 N HN -0.008 nan 8.380 nan 0.000 0.503 47 V N -0.053 119.839 119.914 -0.037 0.000 3.032 47 V HA 0.065 4.185 4.120 -0.000 0.000 0.307 47 V C 0.407 176.489 176.094 -0.019 0.000 1.097 47 V CA -0.358 61.922 62.300 -0.032 0.000 1.191 47 V CB 0.389 32.187 31.823 -0.041 0.000 0.964 47 V HN 0.050 nan 8.190 nan 0.000 0.494 48 Q N 1.701 121.494 119.800 -0.012 0.000 2.235 48 Q HA 0.689 5.029 4.340 -0.000 0.000 0.256 48 Q C 0.113 176.114 176.000 0.002 0.000 0.951 48 Q CA -0.507 55.294 55.803 -0.003 0.000 0.890 48 Q CB 1.852 30.590 28.738 0.001 0.000 1.279 48 Q HN 1.140 nan 8.270 nan 0.000 0.444 49 A N 2.113 124.938 122.820 0.008 0.000 2.498 49 A HA 0.041 4.360 4.320 -0.000 0.000 0.239 49 A C 0.121 177.719 177.584 0.024 0.000 1.068 49 A CA 0.288 52.334 52.037 0.015 0.000 0.766 49 A CB -0.076 18.936 19.000 0.019 0.000 1.003 49 A HN 0.974 nan 8.150 nan 0.000 0.497 50 E N -0.750 119.469 120.200 0.032 0.000 2.868 50 E HA -0.187 4.163 4.350 -0.000 0.000 0.278 50 E C -0.015 176.617 176.600 0.053 0.000 1.009 50 E CA 1.175 57.607 56.400 0.052 0.000 0.856 50 E CB -1.246 28.483 29.700 0.049 0.000 1.428 50 E HN 0.876 nan 8.360 nan 0.000 0.423 51 E N 0.625 120.845 120.200 0.033 0.000 2.231 51 E HA 0.373 4.723 4.350 -0.000 0.000 0.277 51 E C -0.148 176.473 176.600 0.035 0.000 0.999 51 E CA -0.664 55.753 56.400 0.029 0.000 0.827 51 E CB 0.885 30.588 29.700 0.005 0.000 1.101 51 E HN 0.056 nan 8.360 nan 0.000 0.393 52 M N 4.654 124.289 119.600 0.058 0.000 2.238 52 M HA 0.173 4.653 4.480 -0.000 0.000 0.347 52 M C -1.086 175.223 176.300 0.014 0.000 1.173 52 M CA -0.094 55.254 55.300 0.079 0.000 1.147 52 M CB 0.880 33.545 32.600 0.108 0.000 1.547 52 M HN 0.337 nan 8.290 nan 0.000 0.455 53 V N 1.342 121.246 119.914 -0.016 0.000 3.040 53 V HA 0.743 4.863 4.120 -0.000 0.000 0.312 53 V C -1.082 174.943 176.094 -0.115 0.000 1.115 53 V CA -0.917 61.316 62.300 -0.110 0.000 0.998 53 V CB 2.184 33.875 31.823 -0.220 0.000 1.042 53 V HN 0.841 nan 8.190 nan 0.000 0.433 54 E N 1.329 121.425 120.200 -0.174 0.000 2.210 54 E HA 0.600 4.950 4.350 -0.000 0.000 0.266 54 E C -1.518 174.952 176.600 -0.216 0.000 0.883 54 E CA -0.446 55.900 56.400 -0.091 0.000 0.761 54 E CB 2.449 32.142 29.700 -0.012 0.000 1.156 54 E HN 0.610 nan 8.360 nan 0.000 0.412 55 F N 0.243 120.202 119.950 0.015 0.000 2.294 55 F HA 0.135 4.662 4.527 -0.000 0.000 0.319 55 F C 1.893 177.701 175.800 0.014 0.000 1.107 55 F CA -0.188 57.819 58.000 0.012 0.000 1.094 55 F CB 0.526 39.533 39.000 0.011 0.000 1.508 55 F HN 0.405 nan 8.300 nan 0.000 0.506 56 S N -0.236 115.610 115.700 0.243 0.000 2.335 56 S HA -0.155 4.315 4.470 -0.000 0.000 0.217 56 S C 1.918 176.587 174.600 0.115 0.000 1.032 56 S CA 1.267 59.545 58.200 0.130 0.000 0.985 56 S CB -0.855 62.409 63.200 0.108 0.000 0.896 56 S HN 0.627 nan 8.310 nan 0.000 0.445 57 S N 1.176 116.947 115.700 0.118 0.000 2.559 57 S HA 0.128 4.598 4.470 -0.000 0.000 0.250 57 S C 1.631 176.282 174.600 0.084 0.000 0.977 57 S CA 0.868 59.115 58.200 0.078 0.000 0.958 57 S CB -0.983 62.244 63.200 0.045 0.000 0.751 57 S HN 0.979 nan 8.310 nan 0.000 0.534 58 G N -0.096 108.772 108.800 0.113 0.000 2.253 58 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.251 58 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.251 58 G C -0.015 174.964 174.900 0.132 0.000 0.998 58 G CA 0.140 45.302 45.100 0.102 0.000 0.621 58 G HN 0.617 nan 8.290 nan 0.000 0.524 59 L N 1.355 122.670 121.223 0.153 0.000 2.483 59 L HA 0.535 4.875 4.340 -0.000 0.000 0.275 59 L C 0.659 177.705 176.870 0.294 0.000 1.220 59 L CA 0.497 55.437 54.840 0.166 0.000 0.833 59 L CB 0.464 42.562 42.059 0.064 0.000 1.102 59 L HN 0.251 nan 8.230 nan 0.000 0.490 60 K N 2.405 122.970 120.400 0.276 0.000 2.267 60 K HA 0.759 5.079 4.320 -0.000 0.000 0.246 60 K C -0.358 176.428 176.600 0.310 0.000 0.954 60 K CA -0.607 55.866 56.287 0.310 0.000 0.824 60 K CB 1.867 34.528 32.500 0.268 0.000 1.167 60 K HN 0.809 nan 8.250 nan 0.000 0.431 61 G N 0.654 109.583 108.800 0.214 0.000 3.022 61 G HA2 0.686 4.646 3.960 -0.000 0.000 0.284 61 G HA3 0.686 4.646 3.960 -0.000 0.000 0.284 61 G C -1.667 173.125 174.900 -0.180 0.000 1.375 61 G CA -0.665 44.403 45.100 -0.054 0.000 0.902 61 G HN 0.511 nan 8.290 nan 0.000 0.538 62 M N 0.355 119.763 119.600 -0.321 0.000 2.446 62 M HA 0.548 5.028 4.480 -0.000 0.000 0.294 62 M C -0.946 175.306 176.300 -0.081 0.000 1.158 62 M CA -0.542 54.670 55.300 -0.146 0.000 0.899 62 M CB 2.158 34.680 32.600 -0.129 0.000 1.687 62 M HN 0.373 nan 8.290 nan 0.000 0.455 63 S N 4.422 120.106 115.700 -0.027 0.000 2.430 63 S HA 0.203 4.673 4.470 -0.000 0.000 0.282 63 S C 0.273 174.874 174.600 0.001 0.000 1.186 63 S CA -0.636 57.554 58.200 -0.018 0.000 1.060 63 S CB 0.949 64.141 63.200 -0.014 0.000 0.966 63 S HN 0.692 nan 8.310 nan 0.000 0.501 64 L N 4.265 125.488 121.223 -0.001 0.000 2.347 64 L HA 0.381 4.721 4.340 -0.000 0.000 0.196 64 L C -0.013 176.868 176.870 0.018 0.000 1.072 64 L CA 1.195 56.044 54.840 0.016 0.000 0.817 64 L CB 0.004 42.067 42.059 0.007 0.000 1.029 64 L HN 0.541 nan 8.230 nan 0.000 0.478 65 N N 0.811 119.517 118.700 0.009 0.000 2.476 65 N HA 0.413 5.153 4.740 -0.000 0.000 0.257 65 N C -1.380 174.135 175.510 0.008 0.000 0.970 65 N CA -0.362 52.694 53.050 0.011 0.000 0.938 65 N CB 1.300 39.792 38.487 0.008 0.000 1.144 65 N HN 0.087 nan 8.380 nan 0.000 0.500 66 L N 2.441 123.668 121.223 0.008 0.000 2.257 66 L HA 0.390 4.730 4.340 -0.000 0.000 0.290 66 L C 0.229 177.103 176.870 0.007 0.000 1.044 66 L CA -0.165 54.677 54.840 0.004 0.000 0.810 66 L CB 0.759 42.819 42.059 0.002 0.000 1.193 66 L HN 0.480 nan 8.230 nan 0.000 0.425 67 E N 3.460 123.665 120.200 0.008 0.000 2.339 67 E HA 0.332 4.682 4.350 -0.000 0.000 0.262 67 E C -1.810 174.798 176.600 0.013 0.000 0.934 67 E CA -1.723 54.684 56.400 0.011 0.000 0.802 67 E CB 1.847 31.555 29.700 0.014 0.000 1.275 67 E HN 0.297 nan 8.360 nan 0.000 0.427 68 P HA -0.186 nan 4.420 nan 0.000 0.216 68 P C 0.420 177.736 177.300 0.028 0.000 1.153 68 P CA 1.458 64.568 63.100 0.016 0.000 0.858 68 P CB 0.142 31.851 31.700 0.015 0.000 0.789 69 D N -2.155 118.268 120.400 0.039 0.000 2.440 69 D HA 0.070 4.710 4.640 -0.000 0.000 0.216 69 D C 0.100 176.459 176.300 0.099 0.000 1.150 69 D CA -0.353 53.689 54.000 0.071 0.000 0.832 69 D CB -0.796 40.040 40.800 0.060 0.000 0.992 69 D HN 0.385 nan 8.370 nan 0.000 0.502 70 N N -2.044 116.693 118.700 0.061 0.000 3.373 70 N HA 0.419 5.159 4.740 -0.000 0.000 0.275 70 N C -2.056 173.471 175.510 0.028 0.000 1.489 70 N CA -1.001 52.087 53.050 0.063 0.000 0.872 70 N CB 1.369 39.895 38.487 0.065 0.000 1.555 70 N HN -0.202 nan 8.380 nan 0.000 0.500 71 V N -0.354 119.574 119.914 0.024 0.000 2.623 71 V HA 0.760 4.880 4.120 -0.000 0.000 0.304 71 V C 0.140 176.244 176.094 0.017 0.000 1.054 71 V CA -0.531 61.774 62.300 0.009 0.000 0.882 71 V CB 1.470 33.286 31.823 -0.012 0.000 1.002 71 V HN 0.917 nan 8.190 nan 0.000 0.424 72 G N 3.201 112.008 108.800 0.012 0.000 2.339 72 G HA2 0.542 4.502 3.960 -0.000 0.000 0.287 72 G HA3 0.542 4.502 3.960 -0.000 0.000 0.287 72 G C -0.787 174.117 174.900 0.007 0.000 1.163 72 G CA -0.238 44.869 45.100 0.013 0.000 0.872 72 G HN 0.564 nan 8.290 nan 0.000 0.464 73 V N 3.739 123.667 119.914 0.023 0.000 2.409 73 V HA 0.212 4.332 4.120 -0.000 0.000 0.291 73 V C 0.335 176.415 176.094 -0.024 0.000 1.020 73 V CA -0.801 61.508 62.300 0.016 0.000 0.848 73 V CB 1.570 33.455 31.823 0.103 0.000 0.990 73 V HN 0.539 nan 8.190 nan 0.000 0.430 74 V N 5.905 125.751 119.914 -0.113 0.000 2.637 74 V HA 0.172 4.292 4.120 -0.000 0.000 0.296 74 V C 0.175 176.095 176.094 -0.290 0.000 1.046 74 V CA -0.007 62.186 62.300 -0.179 0.000 1.066 74 V CB 1.661 33.358 31.823 -0.209 0.000 0.968 74 V HN 0.636 nan 8.190 nan 0.000 0.483 75 V N 6.251 126.054 119.914 -0.184 0.000 2.350 75 V HA 0.342 4.462 4.120 -0.000 0.000 0.276 75 V C 0.024 176.092 176.094 -0.042 0.000 1.028 75 V CA -0.384 61.825 62.300 -0.151 0.000 0.860 75 V CB 0.975 32.706 31.823 -0.152 0.000 0.990 75 V HN 0.707 nan 8.190 nan 0.000 0.453 76 F N 4.730 124.739 119.950 0.098 0.000 2.678 76 F HA 0.553 5.080 4.527 -0.000 0.000 0.358 76 F C 1.250 177.086 175.800 0.060 0.000 1.256 76 F CA 0.351 58.408 58.000 0.094 0.000 1.278 76 F CB 0.192 39.257 39.000 0.109 0.000 1.681 76 F HN 0.787 nan 8.300 nan 0.000 0.661 77 G N 0.871 109.791 108.800 0.199 0.000 2.362 77 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.288 77 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.288 77 G C -1.473 173.451 174.900 0.039 0.000 1.305 77 G CA -1.217 43.948 45.100 0.107 0.000 0.910 77 G HN 0.162 nan 8.290 nan 0.000 0.518 78 N N 1.879 120.588 118.700 0.015 0.000 2.423 78 N HA 0.049 4.789 4.740 -0.000 0.000 0.275 78 N C 0.930 176.403 175.510 -0.063 0.000 1.283 78 N CA 0.690 53.731 53.050 -0.014 0.000 0.932 78 N CB 0.492 38.974 38.487 -0.008 0.000 1.185 78 N HN 0.607 nan 8.380 nan 0.000 0.483 79 D N 2.784 123.137 120.400 -0.077 0.000 2.349 79 D HA -0.130 4.510 4.640 -0.000 0.000 0.224 79 D C 1.112 177.341 176.300 -0.117 0.000 1.029 79 D CA 0.313 54.230 54.000 -0.138 0.000 0.879 79 D CB 0.116 40.842 40.800 -0.124 0.000 0.906 79 D HN 0.627 nan 8.370 nan 0.000 0.528 80 K N 0.949 121.304 120.400 -0.075 0.000 2.432 80 K HA 0.007 4.326 4.320 -0.000 0.000 0.196 80 K C 1.720 178.283 176.600 -0.062 0.000 1.038 80 K CA 0.146 56.398 56.287 -0.057 0.000 0.986 80 K CB -0.163 32.317 32.500 -0.034 0.000 0.782 80 K HN 0.152 nan 8.250 nan 0.000 0.485 81 L N 1.284 122.459 121.223 -0.080 0.000 2.591 81 L HA 0.262 4.602 4.340 -0.000 0.000 0.228 81 L C 0.640 177.452 176.870 -0.097 0.000 1.133 81 L CA -0.051 54.746 54.840 -0.071 0.000 0.880 81 L CB -0.087 41.936 42.059 -0.060 0.000 1.033 81 L HN 0.141 nan 8.230 nan 0.000 0.450 82 I N 0.501 120.981 120.570 -0.149 0.000 2.359 82 I HA 0.234 4.404 4.170 -0.000 0.000 0.294 82 I C -0.155 175.919 176.117 -0.071 0.000 0.987 82 I CA -0.262 60.939 61.300 -0.166 0.000 1.225 82 I CB 1.445 39.226 38.000 -0.366 0.000 1.366 82 I HN 0.023 nan 8.210 nan 0.000 0.466 83 K N 4.752 125.143 120.400 -0.015 0.000 2.385 83 K HA 0.326 4.646 4.320 -0.000 0.000 0.248 83 K C -0.693 175.926 176.600 0.031 0.000 0.955 83 K CA -0.929 55.361 56.287 0.004 0.000 0.816 83 K CB 2.264 34.768 32.500 0.006 0.000 1.250 83 K HN 0.514 nan 8.250 nan 0.000 0.434 84 E N 0.500 120.715 120.200 0.025 0.000 2.529 84 E HA -0.047 4.303 4.350 -0.000 0.000 0.259 84 E C 0.559 177.182 176.600 0.040 0.000 0.966 84 E CA 1.398 57.818 56.400 0.034 0.000 0.937 84 E CB 0.030 29.741 29.700 0.018 0.000 0.923 84 E HN 0.754 nan 8.360 nan 0.000 0.468 85 G N 3.904 112.736 108.800 0.053 0.000 2.284 85 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.216 85 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.216 85 G C -0.046 174.893 174.900 0.066 0.000 1.009 85 G CA -0.036 45.095 45.100 0.052 0.000 0.625 85 G HN 0.691 nan 8.290 nan 0.000 0.501 86 D N 0.963 121.415 120.400 0.087 0.000 2.548 86 D HA 0.351 4.991 4.640 -0.000 0.000 0.231 86 D C 0.821 177.182 176.300 0.101 0.000 1.142 86 D CA 0.312 54.379 54.000 0.112 0.000 0.866 86 D CB 0.473 41.382 40.800 0.181 0.000 1.190 86 D HN 0.263 nan 8.370 nan 0.000 0.469 87 I N 2.248 122.860 120.570 0.070 0.000 2.575 87 I HA 0.139 4.309 4.170 -0.000 0.000 0.285 87 I C -0.093 176.005 176.117 -0.032 0.000 1.085 87 I CA -0.007 61.305 61.300 0.020 0.000 1.403 87 I CB 1.060 39.067 38.000 0.012 0.000 1.409 87 I HN 0.055 nan 8.210 nan 0.000 0.557 88 V N 6.222 126.070 119.914 -0.111 0.000 2.656 88 V HA 0.534 4.654 4.120 -0.000 0.000 0.307 88 V C -0.304 175.674 176.094 -0.194 0.000 1.051 88 V CA -1.028 61.107 62.300 -0.276 0.000 0.893 88 V CB 1.811 33.418 31.823 -0.359 0.000 0.999 88 V HN 0.613 nan 8.190 nan 0.000 0.426 89 K N 3.331 123.610 120.400 -0.202 0.000 2.375 89 K HA 0.660 4.980 4.320 -0.000 0.000 0.249 89 K C -0.812 175.717 176.600 -0.119 0.000 0.942 89 K CA -0.952 55.260 56.287 -0.125 0.000 0.806 89 K CB 2.806 35.259 32.500 -0.079 0.000 1.227 89 K HN 0.550 nan 8.250 nan 0.000 0.430 90 R N 0.585 121.034 120.500 -0.085 0.000 2.490 90 R HA 0.075 4.415 4.340 -0.000 0.000 0.280 90 R C 1.003 177.278 176.300 -0.042 0.000 1.077 90 R CA -0.067 55.995 56.100 -0.064 0.000 1.065 90 R CB 0.517 30.787 30.300 -0.050 0.000 1.003 90 R HN 0.796 nan 8.270 nan 0.000 0.470 91 T N -1.670 112.868 114.554 -0.027 0.000 3.040 91 T HA 0.138 4.488 4.350 -0.000 0.000 0.250 91 T C 1.359 176.056 174.700 -0.006 0.000 1.058 91 T CA 0.278 62.372 62.100 -0.010 0.000 0.988 91 T CB 0.391 69.263 68.868 0.007 0.000 0.993 91 T HN 0.834 nan 8.240 nan 0.000 0.519 92 G N 1.169 109.962 108.800 -0.012 0.000 2.175 92 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.265 92 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.265 92 G C 0.200 175.100 174.900 0.000 0.000 0.979 92 G CA 0.054 45.149 45.100 -0.008 0.000 0.663 92 G HN 1.339 nan 8.290 nan 0.000 0.533 93 A N -0.119 122.706 122.820 0.007 0.000 2.386 93 A HA 0.778 5.098 4.320 -0.000 0.000 0.311 93 A C 0.047 177.647 177.584 0.026 0.000 1.068 93 A CA -0.802 51.244 52.037 0.015 0.000 0.743 93 A CB 1.137 20.148 19.000 0.017 0.000 1.258 93 A HN 0.485 nan 8.150 nan 0.000 0.429 94 I N 2.097 122.683 120.570 0.026 0.000 2.556 94 I HA 0.052 4.221 4.170 -0.000 0.000 0.284 94 I C 0.721 176.867 176.117 0.048 0.000 1.114 94 I CA -0.145 61.176 61.300 0.035 0.000 1.418 94 I CB 0.553 38.567 38.000 0.023 0.000 1.394 94 I HN 0.376 nan 8.210 nan 0.000 0.552 95 V N 7.539 127.501 119.914 0.081 0.000 2.717 95 V HA -0.127 3.993 4.120 -0.000 0.000 0.302 95 V C 0.296 176.420 176.094 0.051 0.000 1.097 95 V CA 0.599 62.962 62.300 0.105 0.000 1.262 95 V CB -0.763 31.169 31.823 0.181 0.000 0.846 95 V HN 0.954 nan 8.190 nan 0.000 0.485 96 D N 3.854 124.277 120.400 0.038 0.000 2.652 96 D HA 0.751 5.391 4.640 -0.000 0.000 0.285 96 D C -0.590 175.712 176.300 0.003 0.000 1.173 96 D CA -0.462 53.547 54.000 0.014 0.000 0.981 96 D CB 2.157 42.965 40.800 0.013 0.000 1.440 96 D HN 0.586 nan 8.370 nan 0.000 0.485 97 V N -5.299 114.611 119.914 -0.006 0.000 3.114 97 V HA 0.762 4.882 4.120 -0.000 0.000 0.308 97 V C -3.036 173.046 176.094 -0.020 0.000 1.168 97 V CA -2.334 59.956 62.300 -0.016 0.000 1.015 97 V CB 1.707 33.515 31.823 -0.026 0.000 1.050 97 V HN 0.460 nan 8.190 nan 0.000 0.433 98 P HA 0.423 nan 4.420 nan 0.000 0.268 98 P C -0.894 176.368 177.300 -0.064 0.000 1.208 98 P CA 0.130 63.204 63.100 -0.043 0.000 0.777 98 P CB 0.790 32.467 31.700 -0.039 0.000 0.875 99 V N 1.100 120.947 119.914 -0.112 0.000 3.087 99 V HA 0.888 5.008 4.120 -0.000 0.000 0.306 99 V C 0.169 176.024 176.094 -0.399 0.000 1.187 99 V CA 0.164 62.349 62.300 -0.191 0.000 0.999 99 V CB 2.108 33.858 31.823 -0.122 0.000 1.049 99 V HN 0.939 nan 8.190 nan 0.000 0.431 100 G N 1.855 110.225 108.800 -0.716 0.000 2.339 100 G HA2 0.089 4.049 3.960 -0.000 0.000 0.381 100 G HA3 0.089 4.049 3.960 -0.000 0.000 0.381 100 G C -0.095 174.408 174.900 -0.662 0.000 1.400 100 G CA -0.126 44.348 45.100 -1.042 0.000 1.002 100 G HN 0.566 nan 8.290 nan 0.000 0.633 101 E N 0.168 120.058 120.200 -0.517 0.000 2.204 101 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 101 E C 2.105 178.715 176.600 0.016 0.000 0.989 101 E CA 1.368 57.729 56.400 -0.065 0.000 0.824 101 E CB 0.052 29.789 29.700 0.063 0.000 0.756 101 E HN 0.684 nan 8.360 nan 0.000 0.477 102 E N 0.814 120.978 120.200 -0.061 0.000 2.463 102 E HA -0.162 4.188 4.350 -0.000 0.000 0.201 102 E C 1.751 178.349 176.600 -0.003 0.000 1.045 102 E CA 0.598 56.986 56.400 -0.020 0.000 0.872 102 E CB -0.252 29.423 29.700 -0.042 0.000 0.797 102 E HN 0.254 nan 8.360 nan 0.000 0.538 103 L N 0.613 121.835 121.223 -0.002 0.000 2.418 103 L HA 0.105 4.445 4.340 -0.000 0.000 0.218 103 L C 1.257 178.169 176.870 0.070 0.000 1.125 103 L CA 0.259 55.114 54.840 0.025 0.000 0.835 103 L CB -0.237 41.832 42.059 0.017 0.000 0.953 103 L HN 0.031 nan 8.230 nan 0.000 0.454 104 L N -0.034 121.262 121.223 0.121 0.000 2.506 104 L HA 0.101 4.441 4.340 -0.000 0.000 0.281 104 L C 1.552 178.454 176.870 0.054 0.000 1.228 104 L CA 0.724 55.642 54.840 0.130 0.000 0.850 104 L CB -0.216 41.967 42.059 0.206 0.000 1.110 104 L HN 0.424 nan 8.230 nan 0.000 0.496 105 G N 1.267 110.073 108.800 0.010 0.000 2.180 105 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.263 105 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.263 105 G C 0.289 175.180 174.900 -0.015 0.000 0.989 105 G CA 0.058 45.141 45.100 -0.028 0.000 0.692 105 G HN 0.464 nan 8.290 nan 0.000 0.526 106 R N -1.124 119.378 120.500 0.002 0.000 2.828 106 R HA 0.786 5.126 4.340 -0.000 0.000 0.264 106 R C -0.412 175.891 176.300 0.006 0.000 1.022 106 R CA -1.014 55.088 56.100 0.003 0.000 1.021 106 R CB 1.742 32.047 30.300 0.009 0.000 1.163 106 R HN 0.225 nan 8.270 nan 0.000 0.494 107 V N 1.946 121.864 119.914 0.005 0.000 2.483 107 V HA 0.477 4.596 4.120 -0.000 0.000 0.297 107 V C -0.218 175.881 176.094 0.009 0.000 1.027 107 V CA -0.711 61.595 62.300 0.011 0.000 0.855 107 V CB 1.788 33.617 31.823 0.010 0.000 0.995 107 V HN 0.611 nan 8.190 nan 0.000 0.424 108 V N 1.371 121.290 119.914 0.009 0.000 3.141 108 V HA 0.850 4.970 4.120 -0.000 0.000 0.312 108 V C -0.773 175.319 176.094 -0.002 0.000 1.157 108 V CA -0.872 61.429 62.300 0.002 0.000 1.041 108 V CB 2.312 34.133 31.823 -0.002 0.000 1.071 108 V HN 0.768 nan 8.190 nan 0.000 0.441 109 D N 1.010 121.406 120.400 -0.006 0.000 2.432 109 D HA 0.556 5.196 4.640 -0.000 0.000 0.258 109 D C 1.269 177.548 176.300 -0.035 0.000 1.146 109 D CA -0.047 53.945 54.000 -0.013 0.000 1.015 109 D CB 1.367 42.166 40.800 -0.002 0.000 1.107 109 D HN 0.906 nan 8.370 nan 0.000 0.529 110 A N -0.032 122.757 122.820 -0.053 0.000 1.971 110 A HA -0.189 4.131 4.320 -0.000 0.000 0.222 110 A C 2.235 179.746 177.584 -0.123 0.000 1.182 110 A CA 1.511 53.489 52.037 -0.097 0.000 0.649 110 A CB -1.029 17.895 19.000 -0.128 0.000 0.818 110 A HN 0.592 nan 8.150 nan 0.000 0.458 111 L N -1.691 119.469 121.223 -0.105 0.000 2.610 111 L HA 0.159 4.499 4.340 -0.000 0.000 0.232 111 L C 1.783 178.625 176.870 -0.046 0.000 1.149 111 L CA 0.536 55.320 54.840 -0.092 0.000 0.872 111 L CB -0.246 41.786 42.059 -0.044 0.000 0.992 111 L HN 0.645 nan 8.230 nan 0.000 0.447 112 G N -0.583 108.195 108.800 -0.037 0.000 2.175 112 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.244 112 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.244 112 G C 0.128 175.021 174.900 -0.012 0.000 0.982 112 G CA -0.369 44.718 45.100 -0.023 0.000 0.641 112 G HN 0.359 nan 8.290 nan 0.000 0.527 113 N N 1.651 120.348 118.700 -0.006 0.000 2.452 113 N HA 0.485 5.224 4.740 -0.000 0.000 0.266 113 N C 0.739 176.251 175.510 0.002 0.000 1.175 113 N CA 0.757 53.808 53.050 0.003 0.000 0.945 113 N CB 1.282 39.776 38.487 0.012 0.000 1.063 113 N HN 0.759 nan 8.380 nan 0.000 0.472 114 A N 2.532 125.353 122.820 0.002 0.000 2.531 114 A HA 0.151 4.471 4.320 -0.000 0.000 0.236 114 A C 1.280 178.867 177.584 0.005 0.000 1.062 114 A CA 0.046 52.085 52.037 0.003 0.000 0.760 114 A CB -0.311 18.689 19.000 0.001 0.000 0.995 114 A HN 0.839 nan 8.150 nan 0.000 0.501 115 I N -1.262 119.312 120.570 0.006 0.000 3.994 115 I HA 0.270 4.439 4.170 -0.000 0.000 0.323 115 I C -0.055 176.065 176.117 0.006 0.000 1.501 115 I CA -0.168 61.136 61.300 0.008 0.000 1.112 115 I CB 0.605 38.611 38.000 0.010 0.000 1.254 115 I HN 0.417 nan 8.210 nan 0.000 0.495 116 D N 0.882 121.284 120.400 0.003 0.000 2.427 116 D HA 0.237 4.877 4.640 -0.000 0.000 0.224 116 D C 1.619 177.918 176.300 -0.001 0.000 1.157 116 D CA 0.194 54.193 54.000 -0.000 0.000 0.828 116 D CB 0.292 41.090 40.800 -0.004 0.000 0.974 116 D HN 0.445 nan 8.370 nan 0.000 0.498 117 G N 1.580 110.381 108.800 0.001 0.000 2.413 117 G HA2 -0.480 3.480 3.960 -0.000 0.000 0.259 117 G HA3 -0.480 3.480 3.960 -0.000 0.000 0.259 117 G C 1.108 176.008 174.900 -0.001 0.000 1.003 117 G CA 0.707 45.807 45.100 0.001 0.000 0.629 117 G HN 0.486 nan 8.290 nan 0.000 0.548 118 K N 1.459 121.858 120.400 -0.002 0.000 2.675 118 K HA 0.331 4.651 4.320 -0.000 0.000 0.194 118 K C 1.527 178.126 176.600 -0.001 0.000 1.029 118 K CA 0.484 56.769 56.287 -0.003 0.000 0.980 118 K CB -0.533 31.964 32.500 -0.005 0.000 0.803 118 K HN 1.569 nan 8.250 nan 0.000 0.493 119 G N 1.567 110.367 108.800 0.000 0.000 2.728 119 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.294 119 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.294 119 G C -2.577 172.323 174.900 0.000 0.000 1.342 119 G CA -1.247 43.854 45.100 0.001 0.000 0.866 119 G HN 0.021 nan 8.290 nan 0.000 0.534 120 P HA 0.352 nan 4.420 nan 0.000 0.270 120 P C 0.289 177.587 177.300 -0.004 0.000 1.221 120 P CA -0.256 62.843 63.100 -0.001 0.000 0.788 120 P CB 0.295 31.995 31.700 -0.001 0.000 0.904 121 I N 0.816 121.381 120.570 -0.007 0.000 2.359 121 I HA 0.194 4.364 4.170 -0.000 0.000 0.294 121 I C 1.531 177.637 176.117 -0.018 0.000 0.987 121 I CA -0.210 61.083 61.300 -0.013 0.000 1.225 121 I CB 0.725 38.714 38.000 -0.017 0.000 1.366 121 I HN 0.484 nan 8.210 nan 0.000 0.466 122 G N 3.692 112.481 108.800 -0.020 0.000 3.332 122 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.242 122 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.242 122 G C 0.678 175.555 174.900 -0.038 0.000 1.276 122 G CA -0.064 45.022 45.100 -0.022 0.000 0.988 122 G HN 0.566 nan 8.290 nan 0.000 0.517 123 S N -0.326 115.346 115.700 -0.047 0.000 2.537 123 S HA 0.204 4.674 4.470 -0.000 0.000 0.286 123 S C 1.134 175.702 174.600 -0.054 0.000 1.299 123 S CA 0.039 58.197 58.200 -0.069 0.000 1.067 123 S CB 0.608 63.766 63.200 -0.069 0.000 0.864 123 S HN 0.453 nan 8.310 nan 0.000 0.494 124 K N 2.501 122.862 120.400 -0.063 0.000 2.438 124 K HA 0.402 4.722 4.320 -0.000 0.000 0.206 124 K C -0.145 176.432 176.600 -0.039 0.000 1.081 124 K CA -0.129 56.133 56.287 -0.041 0.000 1.053 124 K CB 1.099 33.579 32.500 -0.032 0.000 0.908 124 K HN 0.540 nan 8.250 nan 0.000 0.556 125 A N 1.240 124.026 122.820 -0.057 0.000 2.515 125 A HA 0.751 5.071 4.320 -0.000 0.000 0.296 125 A C -1.037 176.521 177.584 -0.043 0.000 1.094 125 A CA -0.801 51.212 52.037 -0.041 0.000 0.718 125 A CB 1.393 20.374 19.000 -0.032 0.000 1.307 125 A HN 0.100 nan 8.150 nan 0.000 0.408 126 R N -0.247 120.240 120.500 -0.021 0.000 2.867 126 R HA 0.814 5.154 4.340 -0.000 0.000 0.268 126 R C -0.813 175.486 176.300 -0.002 0.000 1.014 126 R CA -0.915 55.176 56.100 -0.016 0.000 0.946 126 R CB 2.523 32.818 30.300 -0.009 0.000 1.208 126 R HN 0.766 nan 8.270 nan 0.000 0.477 127 R N 1.202 121.703 120.500 0.001 0.000 2.522 127 R HA 0.234 4.574 4.340 -0.000 0.000 0.273 127 R C -1.122 175.182 176.300 0.007 0.000 1.133 127 R CA -0.687 55.419 56.100 0.010 0.000 0.969 127 R CB 1.477 31.790 30.300 0.022 0.000 1.235 127 R HN 0.602 nan 8.270 nan 0.000 0.433 128 R N 2.028 122.532 120.500 0.006 0.000 2.638 128 R HA -0.015 4.325 4.340 -0.000 0.000 0.268 128 R C 1.499 177.795 176.300 -0.007 0.000 1.006 128 R CA 0.430 56.531 56.100 0.001 0.000 1.088 128 R CB 0.600 30.898 30.300 -0.003 0.000 0.950 128 R HN 0.558 nan 8.270 nan 0.000 0.419 129 V N 0.424 120.329 119.914 -0.016 0.000 3.041 129 V HA 0.050 4.170 4.120 -0.000 0.000 0.260 129 V C 1.401 177.448 176.094 -0.078 0.000 1.105 129 V CA 1.628 63.916 62.300 -0.020 0.000 1.125 129 V CB -0.129 31.684 31.823 -0.015 0.000 0.730 129 V HN 0.887 nan 8.190 nan 0.000 0.479 130 G N 0.147 108.882 108.800 -0.110 0.000 3.371 130 G HA2 0.322 4.282 3.960 -0.000 0.000 0.248 130 G HA3 0.322 4.282 3.960 -0.000 0.000 0.248 130 G C 0.442 175.282 174.900 -0.100 0.000 1.161 130 G CA -0.471 44.525 45.100 -0.172 0.000 0.796 130 G HN 0.455 nan 8.290 nan 0.000 0.539 131 L N 0.722 121.914 121.223 -0.052 0.000 2.559 131 L HA 0.049 4.389 4.340 -0.000 0.000 0.282 131 L C 0.948 177.798 176.870 -0.033 0.000 1.232 131 L CA 0.197 55.020 54.840 -0.028 0.000 0.885 131 L CB 0.544 42.599 42.059 -0.008 0.000 1.131 131 L HN 0.111 nan 8.230 nan 0.000 0.498 132 K N 2.488 122.876 120.400 -0.020 0.000 2.154 132 K HA 0.455 4.775 4.320 -0.000 0.000 0.264 132 K C -0.029 176.563 176.600 -0.013 0.000 1.008 132 K CA -0.453 55.825 56.287 -0.015 0.000 0.937 132 K CB 1.107 33.609 32.500 0.004 0.000 1.002 132 K HN 0.651 nan 8.250 nan 0.000 0.469 133 A N 4.193 127.005 122.820 -0.014 0.000 2.386 133 A HA 0.287 4.607 4.320 -0.000 0.000 0.246 133 A C -2.154 175.411 177.584 -0.033 0.000 1.089 133 A CA -1.056 50.970 52.037 -0.019 0.000 0.790 133 A CB -0.550 18.441 19.000 -0.015 0.000 1.042 133 A HN 0.638 nan 8.150 nan 0.000 0.497 134 P HA 0.261 nan 4.420 nan 0.000 0.267 134 P C 0.653 177.897 177.300 -0.093 0.000 1.200 134 P CA 0.525 63.563 63.100 -0.102 0.000 0.772 134 P CB 0.580 32.194 31.700 -0.143 0.000 0.855 135 G N 1.207 109.941 108.800 -0.110 0.000 2.504 135 G HA2 0.133 4.093 3.960 -0.000 0.000 0.257 135 G HA3 0.133 4.093 3.960 -0.000 0.000 0.257 135 G C 1.061 175.905 174.900 -0.092 0.000 1.451 135 G CA -0.566 44.487 45.100 -0.078 0.000 1.059 135 G HN 0.413 nan 8.290 nan 0.000 0.550 136 I N -0.155 120.377 120.570 -0.063 0.000 2.163 136 I HA -0.111 4.059 4.170 -0.000 0.000 0.240 136 I C 2.664 178.734 176.117 -0.078 0.000 1.081 136 I CA 0.469 61.736 61.300 -0.054 0.000 1.353 136 I CB -0.283 37.701 38.000 -0.025 0.000 1.054 136 I HN 0.217 nan 8.210 nan 0.000 0.407 137 I N 1.457 121.979 120.570 -0.080 0.000 2.087 137 I HA -0.217 3.953 4.170 -0.000 0.000 0.240 137 I C -0.293 175.732 176.117 -0.153 0.000 1.054 137 I CA 2.201 63.459 61.300 -0.070 0.000 1.311 137 I CB -2.619 35.377 38.000 -0.007 0.000 1.024 137 I HN 0.158 nan 8.210 nan 0.000 0.402 138 P HA -0.042 nan 4.420 nan 0.000 0.244 138 P C 0.071 177.170 177.300 -0.335 0.000 1.211 138 P CA 0.795 63.390 63.100 -0.843 0.000 0.760 138 P CB 0.032 30.805 31.700 -1.546 0.000 0.961 139 R N -0.368 120.029 120.500 -0.173 0.000 2.797 139 R HA 0.788 5.128 4.340 -0.000 0.000 0.251 139 R C -0.450 175.833 176.300 -0.027 0.000 1.107 139 R CA -0.971 55.078 56.100 -0.085 0.000 1.084 139 R CB 1.362 31.619 30.300 -0.071 0.000 1.205 139 R HN -0.072 nan 8.270 nan 0.000 0.515 140 I N -0.611 119.953 120.570 -0.009 0.000 2.842 140 I HA 0.151 4.321 4.170 -0.000 0.000 0.297 140 I C -0.887 175.235 176.117 0.007 0.000 1.380 140 I CA -0.339 60.965 61.300 0.007 0.000 1.018 140 I CB 2.287 40.300 38.000 0.022 0.000 1.311 140 I HN 0.811 nan 8.210 nan 0.000 0.439 141 S N 6.148 121.853 115.700 0.008 0.000 2.563 141 S HA 0.271 4.741 4.470 -0.000 0.000 0.294 141 S C 0.433 175.038 174.600 0.009 0.000 1.279 141 S CA -0.288 57.916 58.200 0.007 0.000 1.069 141 S CB 0.253 63.458 63.200 0.008 0.000 0.828 141 S HN 1.305 nan 8.310 nan 0.000 0.497 142 V N 2.083 122.001 119.914 0.007 0.000 3.083 142 V HA 0.199 4.319 4.120 -0.000 0.000 0.303 142 V C 1.218 177.312 176.094 -0.001 0.000 1.151 142 V CA 0.512 62.815 62.300 0.005 0.000 1.275 142 V CB -0.239 31.584 31.823 -0.001 0.000 0.950 142 V HN 1.183 nan 8.190 nan 0.000 0.506 143 R N 0.517 121.012 120.500 -0.008 0.000 2.467 143 R HA 0.304 4.644 4.340 -0.000 0.000 0.253 143 R C -0.068 176.211 176.300 -0.035 0.000 0.910 143 R CA -0.345 55.746 56.100 -0.014 0.000 1.167 143 R CB 0.205 30.503 30.300 -0.003 0.000 1.748 143 R HN 0.761 nan 8.270 nan 0.000 0.465 144 E N 3.398 123.564 120.200 -0.057 0.000 2.191 144 E HA 0.396 4.746 4.350 -0.000 0.000 0.278 144 E C -2.636 173.887 176.600 -0.127 0.000 0.972 144 E CA -2.325 54.009 56.400 -0.109 0.000 0.804 144 E CB 1.696 31.291 29.700 -0.176 0.000 1.110 144 E HN -0.074 nan 8.360 nan 0.000 0.394 145 P HA -0.016 nan 4.420 nan 0.000 0.268 145 P C -0.494 176.690 177.300 -0.192 0.000 1.205 145 P CA 0.035 63.053 63.100 -0.136 0.000 0.771 145 P CB 0.436 32.063 31.700 -0.123 0.000 0.858 146 M N 3.026 122.540 119.600 -0.143 0.000 2.999 146 M HA 0.110 4.590 4.480 -0.000 0.000 0.206 146 M C -0.547 175.685 176.300 -0.114 0.000 1.111 146 M CA -0.558 54.651 55.300 -0.152 0.000 0.946 146 M CB -0.292 32.249 32.600 -0.098 0.000 1.330 146 M HN 0.307 nan 8.290 nan 0.000 0.533 147 Q N 1.318 121.033 119.800 -0.141 0.000 2.264 147 Q HA 0.007 4.347 4.340 -0.000 0.000 0.296 147 Q C 1.214 177.220 176.000 0.010 0.000 1.103 147 Q CA 0.581 56.361 55.803 -0.038 0.000 0.967 147 Q CB -0.099 28.657 28.738 0.030 0.000 1.090 147 Q HN 0.620 nan 8.270 nan 0.000 0.379 148 T N -1.467 113.101 114.554 0.023 0.000 3.057 148 T HA 0.207 4.557 4.350 -0.000 0.000 0.254 148 T C 1.287 176.021 174.700 0.058 0.000 1.094 148 T CA 0.384 62.504 62.100 0.033 0.000 1.088 148 T CB 0.252 69.132 68.868 0.020 0.000 0.934 148 T HN 0.791 nan 8.240 nan 0.000 0.497 149 G N 1.686 110.526 108.800 0.067 0.000 2.179 149 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.260 149 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.260 149 G C 0.048 174.975 174.900 0.045 0.000 0.977 149 G CA 0.083 45.222 45.100 0.066 0.000 0.641 149 G HN 0.658 nan 8.290 nan 0.000 0.533 150 I N 1.211 121.803 120.570 0.038 0.000 2.297 150 I HA 0.219 4.389 4.170 -0.000 0.000 0.291 150 I C 1.670 177.805 176.117 0.030 0.000 1.033 150 I CA -0.729 60.590 61.300 0.030 0.000 1.253 150 I CB 1.190 39.205 38.000 0.025 0.000 1.396 150 I HN 0.006 nan 8.210 nan 0.000 0.476 151 K N 4.504 124.922 120.400 0.030 0.000 2.001 151 K HA -0.290 4.030 4.320 -0.000 0.000 0.223 151 K C 2.126 178.742 176.600 0.027 0.000 1.055 151 K CA 2.202 58.506 56.287 0.029 0.000 0.965 151 K CB -0.306 32.211 32.500 0.028 0.000 0.730 151 K HN 0.811 nan 8.250 nan 0.000 0.449 152 A N 1.059 123.895 122.820 0.027 0.000 1.884 152 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 152 A C 2.463 180.065 177.584 0.029 0.000 1.197 152 A CA 2.361 54.416 52.037 0.029 0.000 0.637 152 A CB -1.042 17.979 19.000 0.034 0.000 0.827 152 A HN 0.143 nan 8.150 nan 0.000 0.450 153 V N 0.528 120.459 119.914 0.028 0.000 2.216 153 V HA -0.224 3.896 4.120 -0.000 0.000 0.243 153 V C 1.900 178.007 176.094 0.022 0.000 1.044 153 V CA 2.209 64.525 62.300 0.025 0.000 0.995 153 V CB -1.027 30.808 31.823 0.021 0.000 0.633 153 V HN 0.502 nan 8.190 nan 0.000 0.446 154 D N 0.088 120.500 120.400 0.021 0.000 2.411 154 D HA -0.075 4.565 4.640 -0.000 0.000 0.226 154 D C 1.975 178.286 176.300 0.018 0.000 0.988 154 D CA 1.361 55.372 54.000 0.018 0.000 0.938 154 D CB 0.025 40.839 40.800 0.023 0.000 0.883 154 D HN 0.671 nan 8.370 nan 0.000 0.525 155 S N -1.625 114.088 115.700 0.021 0.000 2.830 155 S HA 0.123 4.593 4.470 -0.000 0.000 0.249 155 S C 1.639 176.252 174.600 0.021 0.000 1.084 155 S CA -0.351 57.862 58.200 0.021 0.000 0.852 155 S CB 0.021 63.234 63.200 0.022 0.000 0.802 155 S HN 0.147 nan 8.310 nan 0.000 0.481 156 L N 1.375 122.612 121.223 0.024 0.000 2.463 156 L HA 0.431 4.771 4.340 -0.000 0.000 0.219 156 L C 0.025 176.913 176.870 0.030 0.000 1.088 156 L CA 0.227 55.083 54.840 0.027 0.000 0.849 156 L CB 0.647 42.724 42.059 0.030 0.000 1.012 156 L HN 0.202 nan 8.230 nan 0.000 0.468 157 V N 0.322 120.254 119.914 0.030 0.000 2.656 157 V HA 0.197 4.317 4.120 -0.000 0.000 0.312 157 V C -2.404 173.703 176.094 0.021 0.000 1.181 157 V CA -1.123 61.196 62.300 0.032 0.000 1.250 157 V CB 0.209 32.057 31.823 0.043 0.000 1.468 157 V HN 0.020 nan 8.190 nan 0.000 0.651 158 P HA 0.062 nan 4.420 nan 0.000 0.257 158 P C -0.191 177.108 177.300 -0.001 0.000 1.189 158 P CA 0.455 63.559 63.100 0.005 0.000 0.780 158 P CB 0.902 32.605 31.700 0.004 0.000 0.772 159 I N 3.187 123.751 120.570 -0.009 0.000 2.581 159 I HA 0.378 4.548 4.170 -0.000 0.000 0.288 159 I C 1.384 177.482 176.117 -0.031 0.000 1.047 159 I CA -0.260 61.030 61.300 -0.017 0.000 1.374 159 I CB 0.739 38.726 38.000 -0.021 0.000 1.423 159 I HN 0.347 nan 8.210 nan 0.000 0.549 160 G N 4.832 113.615 108.800 -0.028 0.000 2.453 160 G HA2 0.516 4.476 3.960 -0.000 0.000 0.323 160 G HA3 0.516 4.476 3.960 -0.000 0.000 0.323 160 G C -0.392 174.484 174.900 -0.039 0.000 1.198 160 G CA -0.874 44.204 45.100 -0.038 0.000 0.959 160 G HN 0.500 nan 8.290 nan 0.000 0.482 161 R N 0.218 120.683 120.500 -0.058 0.000 2.449 161 R HA 0.378 4.718 4.340 -0.000 0.000 0.296 161 R C 1.236 177.545 176.300 0.015 0.000 1.047 161 R CA 1.180 57.257 56.100 -0.038 0.000 1.018 161 R CB 0.690 30.936 30.300 -0.091 0.000 0.962 161 R HN 1.158 nan 8.270 nan 0.000 0.428 162 G N 1.548 110.364 108.800 0.026 0.000 2.213 162 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.226 162 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.226 162 G C 0.127 175.035 174.900 0.012 0.000 0.992 162 G CA 0.254 45.371 45.100 0.028 0.000 0.632 162 G HN 0.649 nan 8.290 nan 0.000 0.511 163 Q N 0.033 119.836 119.800 0.004 0.000 2.199 163 Q HA 0.765 5.105 4.340 -0.000 0.000 0.232 163 Q C -0.388 175.614 176.000 0.003 0.000 0.969 163 Q CA -0.740 55.065 55.803 0.003 0.000 0.925 163 Q CB 0.710 29.448 28.738 0.000 0.000 1.198 163 Q HN 0.224 nan 8.270 nan 0.000 0.494 164 R N 1.527 122.030 120.500 0.006 0.000 2.437 164 R HA 0.361 4.701 4.340 -0.000 0.000 0.310 164 R C -1.492 174.808 176.300 0.000 0.000 0.955 164 R CA -0.621 55.483 56.100 0.006 0.000 0.851 164 R CB 1.719 32.025 30.300 0.011 0.000 1.161 164 R HN 0.608 nan 8.270 nan 0.000 0.446 165 E N 2.762 122.958 120.200 -0.006 0.000 2.235 165 E HA 0.247 4.597 4.350 -0.000 0.000 0.252 165 E C -1.282 175.301 176.600 -0.029 0.000 0.886 165 E CA -0.866 55.527 56.400 -0.012 0.000 0.767 165 E CB 0.728 30.422 29.700 -0.009 0.000 1.205 165 E HN 0.446 nan 8.360 nan 0.000 0.421 166 L N 4.774 125.969 121.223 -0.047 0.000 2.485 166 L HA 0.328 4.668 4.340 -0.000 0.000 0.275 166 L C -0.777 176.032 176.870 -0.101 0.000 1.207 166 L CA 0.650 55.442 54.840 -0.080 0.000 0.855 166 L CB 0.337 42.330 42.059 -0.110 0.000 1.114 166 L HN 0.674 nan 8.230 nan 0.000 0.485 167 I N 7.048 127.559 120.570 -0.099 0.000 2.390 167 I HA 0.386 4.556 4.170 -0.000 0.000 0.283 167 I C -0.453 175.584 176.117 -0.133 0.000 1.016 167 I CA -0.199 61.041 61.300 -0.099 0.000 1.151 167 I CB 1.166 39.132 38.000 -0.057 0.000 1.293 167 I HN 0.597 nan 8.210 nan 0.000 0.458 168 I N 5.731 126.181 120.570 -0.200 0.000 2.689 168 I HA 0.931 5.101 4.170 -0.000 0.000 0.299 168 I C -0.335 175.676 176.117 -0.177 0.000 1.059 168 I CA -0.100 61.071 61.300 -0.215 0.000 1.055 168 I CB 2.073 39.872 38.000 -0.335 0.000 1.243 168 I HN 0.625 nan 8.210 nan 0.000 0.425 169 G N 4.690 113.422 108.800 -0.114 0.000 2.313 169 G HA2 0.193 4.153 3.960 -0.000 0.000 0.296 169 G HA3 0.193 4.153 3.960 -0.000 0.000 0.296 169 G C -2.073 172.789 174.900 -0.062 0.000 1.356 169 G CA -0.755 44.300 45.100 -0.074 0.000 0.833 169 G HN 0.539 nan 8.290 nan 0.000 0.552 170 D N 0.028 120.392 120.400 -0.060 0.000 2.398 170 D HA 0.454 5.094 4.640 -0.000 0.000 0.247 170 D C 1.199 177.465 176.300 -0.058 0.000 1.227 170 D CA -0.272 53.703 54.000 -0.042 0.000 0.980 170 D CB 0.519 41.299 40.800 -0.033 0.000 1.106 170 D HN 0.697 nan 8.370 nan 0.000 0.493 171 R N 0.517 121.007 120.500 -0.016 0.000 2.640 171 R HA 0.013 4.353 4.340 -0.000 0.000 0.270 171 R C -0.289 175.998 176.300 -0.022 0.000 1.024 171 R CA -0.148 55.949 56.100 -0.005 0.000 1.085 171 R CB 0.122 30.443 30.300 0.035 0.000 0.963 171 R HN 0.208 nan 8.270 nan 0.000 0.426 172 Q N 0.452 120.223 119.800 -0.048 0.000 2.468 172 Q HA -0.159 4.181 4.340 -0.000 0.000 0.289 172 Q C 0.128 175.867 176.000 -0.435 0.000 1.299 172 Q CA 1.635 57.388 55.803 -0.083 0.000 0.838 172 Q CB -1.727 27.089 28.738 0.131 0.000 1.195 172 Q HN 1.025 nan 8.270 nan 0.000 0.456 173 T N -5.810 108.428 114.554 -0.526 0.000 2.990 173 T HA 0.432 4.782 4.350 -0.000 0.000 0.250 173 T C 1.238 175.461 174.700 -0.796 0.000 1.041 173 T CA 0.886 62.501 62.100 -0.808 0.000 1.010 173 T CB 1.122 69.767 68.868 -0.372 0.000 1.003 173 T HN 0.791 nan 8.240 nan 0.000 0.499 174 G N 1.483 110.001 108.800 -0.470 0.000 2.183 174 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.168 174 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.168 174 G C 0.741 175.563 174.900 -0.130 0.000 1.008 174 G CA 0.182 45.132 45.100 -0.250 0.000 0.677 174 G HN 0.454 nan 8.290 nan 0.000 0.498 175 K N 0.043 120.368 120.400 -0.125 0.000 1.988 175 K HA -0.139 4.181 4.320 -0.000 0.000 0.221 175 K C 2.515 179.099 176.600 -0.027 0.000 1.053 175 K CA 2.248 58.494 56.287 -0.068 0.000 0.959 175 K CB -0.589 31.874 32.500 -0.062 0.000 0.728 175 K HN 0.244 nan 8.250 nan 0.000 0.447 176 T N 0.982 115.534 114.554 -0.004 0.000 2.760 176 T HA -0.180 4.170 4.350 -0.000 0.000 0.269 176 T C 2.028 176.736 174.700 0.012 0.000 1.047 176 T CA 1.655 63.780 62.100 0.042 0.000 1.139 176 T CB -0.238 68.666 68.868 0.060 0.000 0.855 176 T HN 0.205 nan 8.240 nan 0.000 0.471 177 S N 0.822 116.506 115.700 -0.027 0.000 2.338 177 S HA -0.026 4.444 4.470 -0.000 0.000 0.218 177 S C 2.053 176.640 174.600 -0.023 0.000 1.032 177 S CA 0.724 58.893 58.200 -0.052 0.000 0.999 177 S CB -0.349 62.795 63.200 -0.093 0.000 0.905 177 S HN 0.352 nan 8.310 nan 0.000 0.439 178 I N 2.128 122.687 120.570 -0.019 0.000 2.191 178 I HA -0.341 3.829 4.170 -0.000 0.000 0.248 178 I C 2.471 178.594 176.117 0.010 0.000 1.061 178 I CA 1.901 63.199 61.300 -0.004 0.000 1.329 178 I CB -1.684 36.311 38.000 -0.008 0.000 1.024 178 I HN 0.277 nan 8.210 nan 0.000 0.423 179 A N 0.673 123.506 122.820 0.021 0.000 1.843 179 A HA -0.080 4.240 4.320 -0.000 0.000 0.213 179 A C 2.230 179.833 177.584 0.031 0.000 1.202 179 A CA 0.817 52.880 52.037 0.043 0.000 0.607 179 A CB -0.531 18.528 19.000 0.099 0.000 0.847 179 A HN 0.219 nan 8.150 nan 0.000 0.445 180 I N 0.961 121.536 120.570 0.009 0.000 2.163 180 I HA -0.236 3.934 4.170 -0.000 0.000 0.243 180 I C 1.878 178.029 176.117 0.056 0.000 1.085 180 I CA 1.843 63.146 61.300 0.006 0.000 1.347 180 I CB -1.568 36.459 38.000 0.045 0.000 1.044 180 I HN 0.292 nan 8.210 nan 0.000 0.408 181 D N 0.102 120.533 120.400 0.052 0.000 2.182 181 D HA -0.146 4.494 4.640 -0.000 0.000 0.201 181 D C 2.200 178.539 176.300 0.064 0.000 0.986 181 D CA 1.387 55.425 54.000 0.063 0.000 0.847 181 D CB -0.033 40.783 40.800 0.027 0.000 0.942 181 D HN 0.252 nan 8.370 nan 0.000 0.467 182 T N 0.203 114.787 114.554 0.050 0.000 2.674 182 T HA -0.097 4.253 4.350 -0.000 0.000 0.265 182 T C 2.112 176.856 174.700 0.072 0.000 1.039 182 T CA 0.682 62.812 62.100 0.051 0.000 1.150 182 T CB -0.244 68.642 68.868 0.030 0.000 0.864 182 T HN 0.147 nan 8.240 nan 0.000 0.427 183 I N 0.675 121.292 120.570 0.079 0.000 2.127 183 I HA -0.170 4.000 4.170 -0.000 0.000 0.241 183 I C 2.295 178.530 176.117 0.197 0.000 1.075 183 I CA 1.488 62.868 61.300 0.134 0.000 1.334 183 I CB -0.429 37.629 38.000 0.096 0.000 1.040 183 I HN 0.226 nan 8.210 nan 0.000 0.405 184 I N 0.821 121.473 120.570 0.137 0.000 2.423 184 I HA -0.321 3.849 4.170 -0.000 0.000 0.254 184 I C 2.196 178.393 176.117 0.134 0.000 1.151 184 I CA 1.389 62.772 61.300 0.139 0.000 1.421 184 I CB -0.544 37.516 38.000 0.099 0.000 1.079 184 I HN 0.358 nan 8.210 nan 0.000 0.431 185 N N 0.495 119.266 118.700 0.119 0.000 2.142 185 N HA -0.204 4.536 4.740 -0.000 0.000 0.186 185 N C 1.853 177.456 175.510 0.156 0.000 1.023 185 N CA 1.138 54.257 53.050 0.116 0.000 0.852 185 N CB 0.051 38.621 38.487 0.139 0.000 0.998 185 N HN 0.134 nan 8.380 nan 0.000 0.424 186 Q N 1.051 120.954 119.800 0.170 0.000 2.173 186 Q HA -0.230 4.110 4.340 -0.000 0.000 0.208 186 Q C 1.770 177.755 176.000 -0.024 0.000 0.989 186 Q CA 1.160 57.066 55.803 0.170 0.000 0.872 186 Q CB -0.595 28.031 28.738 -0.187 0.000 0.909 186 Q HN 0.537 nan 8.270 nan 0.000 0.420 187 K N 1.230 121.583 120.400 -0.079 0.000 2.097 187 K HA -0.268 4.052 4.320 -0.000 0.000 0.214 187 K C 1.953 178.472 176.600 -0.135 0.000 1.052 187 K CA 2.138 58.410 56.287 -0.024 0.000 0.932 187 K CB -0.158 32.435 32.500 0.156 0.000 0.716 187 K HN 0.334 nan 8.250 nan 0.000 0.455 188 R N -0.667 119.671 120.500 -0.269 0.000 2.303 188 R HA -0.128 4.212 4.340 -0.000 0.000 0.225 188 R C 1.440 177.399 176.300 -0.567 0.000 1.114 188 R CA 1.646 57.474 56.100 -0.454 0.000 1.007 188 R CB -0.329 29.579 30.300 -0.653 0.000 0.861 188 R HN 0.229 nan 8.270 nan 0.000 0.471 189 F N 0.470 120.335 119.950 -0.142 0.000 2.419 189 F HA 0.233 4.760 4.527 -0.000 0.000 0.283 189 F C 1.926 177.626 175.800 -0.168 0.000 1.044 189 F CA -0.148 57.763 58.000 -0.147 0.000 1.376 189 F CB -0.275 38.623 39.000 -0.170 0.000 1.131 189 F HN -0.089 nan 8.300 nan 0.000 0.585 190 N N 0.260 118.915 118.700 -0.075 0.000 2.289 190 N HA -0.129 4.611 4.740 -0.000 0.000 0.184 190 N C 0.249 175.717 175.510 -0.070 0.000 1.016 190 N CA 1.121 54.071 53.050 -0.168 0.000 0.872 190 N CB -0.436 37.805 38.487 -0.409 0.000 0.973 190 N HN 0.230 nan 8.380 nan 0.000 0.433 191 D N 0.380 120.748 120.400 -0.053 0.000 2.519 191 D HA 0.170 4.810 4.640 -0.000 0.000 0.238 191 D C 0.980 177.264 176.300 -0.026 0.000 1.192 191 D CA 0.052 54.037 54.000 -0.025 0.000 0.835 191 D CB -0.243 40.542 40.800 -0.025 0.000 0.975 191 D HN 0.175 nan 8.370 nan 0.000 0.490 192 G N -1.205 107.586 108.800 -0.015 0.000 2.857 192 G HA2 0.354 4.314 3.960 -0.000 0.000 0.217 192 G HA3 0.354 4.314 3.960 -0.000 0.000 0.217 192 G C 0.775 175.683 174.900 0.014 0.000 1.357 192 G CA -0.159 44.940 45.100 -0.001 0.000 1.033 192 G HN 0.054 nan 8.290 nan 0.000 0.571 193 T N -0.783 113.785 114.554 0.023 0.000 3.019 193 T HA 0.123 4.473 4.350 -0.000 0.000 0.247 193 T C 0.239 174.964 174.700 0.042 0.000 0.992 193 T CA 0.217 62.335 62.100 0.029 0.000 1.036 193 T CB 0.126 69.007 68.868 0.022 0.000 1.063 193 T HN 0.398 nan 8.240 nan 0.000 0.476 194 D N 2.623 123.049 120.400 0.044 0.000 2.383 194 D HA 0.098 4.738 4.640 -0.000 0.000 0.245 194 D C 1.222 177.565 176.300 0.072 0.000 1.263 194 D CA -0.001 54.031 54.000 0.053 0.000 0.936 194 D CB 0.488 41.315 40.800 0.045 0.000 1.053 194 D HN 0.015 nan 8.370 nan 0.000 0.507 195 E N 2.730 122.985 120.200 0.093 0.000 2.333 195 E HA -0.196 4.154 4.350 -0.000 0.000 0.200 195 E C 1.012 177.713 176.600 0.169 0.000 1.010 195 E CA 0.862 57.347 56.400 0.142 0.000 0.841 195 E CB 0.128 29.919 29.700 0.152 0.000 0.757 195 E HN 0.603 nan 8.360 nan 0.000 0.508 196 K N 0.226 120.704 120.400 0.129 0.000 2.525 196 K HA 0.027 4.347 4.320 -0.000 0.000 0.192 196 K C 1.622 178.259 176.600 0.062 0.000 1.029 196 K CA 0.411 56.791 56.287 0.155 0.000 1.029 196 K CB 0.302 32.867 32.500 0.109 0.000 0.814 196 K HN -0.067 nan 8.250 nan 0.000 0.503 197 K N 0.328 120.741 120.400 0.023 0.000 2.440 197 K HA 0.120 4.440 4.320 -0.000 0.000 0.207 197 K C -0.069 176.465 176.600 -0.111 0.000 1.112 197 K CA -0.022 56.214 56.287 -0.086 0.000 1.036 197 K CB 0.792 33.283 32.500 -0.014 0.000 0.935 197 K HN 0.003 nan 8.250 nan 0.000 0.564 198 K N 1.052 121.447 120.400 -0.010 0.000 2.138 198 K HA 0.210 4.530 4.320 -0.000 0.000 0.251 198 K C -0.498 176.046 176.600 -0.093 0.000 1.015 198 K CA -0.305 55.940 56.287 -0.069 0.000 0.917 198 K CB 0.683 33.138 32.500 -0.076 0.000 1.021 198 K HN -0.162 nan 8.250 nan 0.000 0.485 199 L N 2.504 123.587 121.223 -0.234 0.000 2.529 199 L HA 0.245 4.585 4.340 -0.000 0.000 0.258 199 L C -1.565 175.180 176.870 -0.208 0.000 1.032 199 L CA -0.393 54.362 54.840 -0.142 0.000 0.899 199 L CB 0.415 42.356 42.059 -0.196 0.000 1.174 199 L HN 0.405 nan 8.230 nan 0.000 0.458 200 Y N 2.377 122.552 120.300 -0.209 0.000 2.578 200 Y HA 0.289 4.839 4.550 -0.000 0.000 0.339 200 Y C 0.860 176.628 175.900 -0.219 0.000 1.231 200 Y CA 0.101 58.039 58.100 -0.270 0.000 1.461 200 Y CB 0.374 38.365 38.460 -0.781 0.000 1.323 200 Y HN 0.488 nan 8.280 nan 0.000 0.590 201 C N 4.068 123.405 119.300 0.061 0.000 2.614 201 C HA 0.738 5.198 4.460 -0.000 0.000 0.320 201 C C -0.209 174.790 174.990 0.014 0.000 1.200 201 C CA -1.157 57.887 59.018 0.043 0.000 1.700 201 C CB 0.856 28.681 27.740 0.141 0.000 2.275 201 C HN 0.634 nan 8.230 nan 0.000 0.492 202 I N 2.021 122.586 120.570 -0.008 0.000 2.500 202 I HA 0.237 4.407 4.170 -0.000 0.000 0.286 202 I C -1.452 174.663 176.117 -0.003 0.000 1.063 202 I CA -0.403 60.891 61.300 -0.010 0.000 1.062 202 I CB 1.267 39.232 38.000 -0.058 0.000 1.223 202 I HN 0.632 nan 8.210 nan 0.000 0.435 203 Y N 7.245 127.493 120.300 -0.087 0.000 2.356 203 Y HA 0.561 5.111 4.550 -0.000 0.000 0.334 203 Y C -0.779 175.073 175.900 -0.080 0.000 0.958 203 Y CA -0.615 57.431 58.100 -0.091 0.000 1.196 203 Y CB 1.220 39.647 38.460 -0.056 0.000 1.137 203 Y HN 0.274 nan 8.280 nan 0.000 0.485 204 V N 5.781 125.374 119.914 -0.535 0.000 2.509 204 V HA 0.680 4.800 4.120 -0.000 0.000 0.284 204 V C -0.049 175.690 176.094 -0.593 0.000 1.047 204 V CA -0.511 61.551 62.300 -0.396 0.000 0.952 204 V CB 1.194 32.881 31.823 -0.227 0.000 0.988 204 V HN 0.894 nan 8.190 nan 0.000 0.469 205 A N 6.715 129.340 122.820 -0.324 0.000 2.277 205 A HA 0.803 5.123 4.320 -0.000 0.000 0.318 205 A C -0.633 176.884 177.584 -0.112 0.000 1.339 205 A CA -0.375 51.528 52.037 -0.222 0.000 0.875 205 A CB 0.044 19.028 19.000 -0.027 0.000 1.158 205 A HN 0.759 nan 8.150 nan 0.000 0.514 206 I N 2.100 122.606 120.570 -0.107 0.000 2.362 206 I HA 0.535 4.705 4.170 -0.000 0.000 0.289 206 I C 1.292 177.399 176.117 -0.016 0.000 0.994 206 I CA 0.138 61.404 61.300 -0.056 0.000 1.158 206 I CB 1.691 39.648 38.000 -0.072 0.000 1.315 206 I HN 0.915 nan 8.210 nan 0.000 0.451 207 G N 3.819 112.624 108.800 0.008 0.000 2.189 207 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.267 207 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.267 207 G C 0.397 175.314 174.900 0.029 0.000 0.975 207 G CA 0.097 45.213 45.100 0.026 0.000 0.644 207 G HN 0.632 nan 8.290 nan 0.000 0.537 208 Q N 0.065 119.881 119.800 0.027 0.000 2.526 208 Q HA 0.475 4.815 4.340 -0.000 0.000 0.207 208 Q C 0.399 176.424 176.000 0.041 0.000 1.078 208 Q CA -0.052 55.775 55.803 0.041 0.000 1.041 208 Q CB 0.414 29.187 28.738 0.058 0.000 1.228 208 Q HN 0.494 nan 8.270 nan 0.000 0.603 209 K N 0.762 121.190 120.400 0.045 0.000 2.205 209 K HA 0.239 4.559 4.320 -0.000 0.000 0.279 209 K C 0.696 177.322 176.600 0.042 0.000 1.027 209 K CA -0.453 55.858 56.287 0.040 0.000 0.932 209 K CB 1.150 33.673 32.500 0.039 0.000 1.032 209 K HN 0.406 nan 8.250 nan 0.000 0.466 210 R N 0.982 121.504 120.500 0.036 0.000 2.113 210 R HA -0.228 4.112 4.340 -0.000 0.000 0.244 210 R C 2.257 178.577 176.300 0.033 0.000 1.142 210 R CA 2.397 58.517 56.100 0.034 0.000 0.953 210 R CB -0.516 29.799 30.300 0.027 0.000 0.860 210 R HN 0.852 nan 8.270 nan 0.000 0.438 211 S N 0.202 115.920 115.700 0.029 0.000 2.372 211 S HA -0.211 4.259 4.470 -0.000 0.000 0.227 211 S C 2.004 176.621 174.600 0.030 0.000 1.044 211 S CA 2.100 60.316 58.200 0.026 0.000 1.050 211 S CB -0.957 62.258 63.200 0.025 0.000 0.901 211 S HN 0.318 nan 8.310 nan 0.000 0.447 212 T N 2.271 116.849 114.554 0.041 0.000 2.788 212 T HA -0.032 4.318 4.350 -0.000 0.000 0.268 212 T C 1.948 176.678 174.700 0.050 0.000 1.044 212 T CA 1.361 63.491 62.100 0.049 0.000 1.139 212 T CB -0.680 68.228 68.868 0.066 0.000 0.867 212 T HN 0.308 nan 8.240 nan 0.000 0.454 213 V N 1.878 121.830 119.914 0.063 0.000 2.270 213 V HA -0.149 3.971 4.120 -0.000 0.000 0.245 213 V C 2.983 179.094 176.094 0.028 0.000 1.043 213 V CA 1.618 63.962 62.300 0.073 0.000 1.014 213 V CB -1.423 30.451 31.823 0.084 0.000 0.645 213 V HN 0.536 nan 8.190 nan 0.000 0.447 214 A N -0.417 122.416 122.820 0.021 0.000 1.884 214 A HA -0.382 3.938 4.320 -0.000 0.000 0.219 214 A C 2.151 179.727 177.584 -0.012 0.000 1.197 214 A CA 2.564 54.603 52.037 0.004 0.000 0.637 214 A CB -0.729 18.275 19.000 0.006 0.000 0.827 214 A HN 0.647 nan 8.150 nan 0.000 0.450 215 Q N -1.110 118.686 119.800 -0.006 0.000 2.291 215 Q HA -0.042 4.298 4.340 -0.000 0.000 0.206 215 Q C 2.019 177.992 176.000 -0.045 0.000 0.976 215 Q CA 0.887 56.678 55.803 -0.019 0.000 0.875 215 Q CB -0.162 28.579 28.738 0.004 0.000 0.927 215 Q HN 0.614 nan 8.270 nan 0.000 0.450 216 L N 0.393 121.589 121.223 -0.045 0.000 2.049 216 L HA -0.075 4.265 4.340 -0.000 0.000 0.203 216 L C 2.326 179.117 176.870 -0.130 0.000 1.074 216 L CA 1.505 56.284 54.840 -0.100 0.000 0.749 216 L CB -0.795 41.187 42.059 -0.129 0.000 0.907 216 L HN 0.269 nan 8.230 nan 0.000 0.439 217 V N -1.541 118.317 119.914 -0.093 0.000 2.358 217 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 217 V C 2.619 178.653 176.094 -0.101 0.000 1.047 217 V CA 1.557 63.800 62.300 -0.095 0.000 1.035 217 V CB -0.783 31.007 31.823 -0.055 0.000 0.658 217 V HN 0.342 nan 8.190 nan 0.000 0.452 218 K N 0.832 121.181 120.400 -0.084 0.000 2.074 218 K HA -0.270 4.050 4.320 -0.000 0.000 0.209 218 K C 2.417 178.944 176.600 -0.123 0.000 1.048 218 K CA 2.397 58.632 56.287 -0.087 0.000 0.926 218 K CB -0.424 32.035 32.500 -0.069 0.000 0.713 218 K HN 0.575 nan 8.250 nan 0.000 0.444 219 R N 1.158 121.565 120.500 -0.154 0.000 2.070 219 R HA -0.024 4.316 4.340 -0.000 0.000 0.233 219 R C 2.450 178.628 176.300 -0.204 0.000 1.137 219 R CA 1.509 57.470 56.100 -0.232 0.000 0.945 219 R CB -0.936 29.185 30.300 -0.298 0.000 0.845 219 R HN 0.225 nan 8.270 nan 0.000 0.430 220 L N 0.149 121.267 121.223 -0.176 0.000 2.081 220 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 220 L C 2.263 179.036 176.870 -0.162 0.000 1.080 220 L CA 2.054 56.794 54.840 -0.166 0.000 0.754 220 L CB -0.846 41.108 42.059 -0.175 0.000 0.893 220 L HN 0.338 nan 8.230 nan 0.000 0.433 221 T N -0.884 113.585 114.554 -0.141 0.000 2.708 221 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 221 T C 1.438 176.071 174.700 -0.112 0.000 1.037 221 T CA 1.601 63.628 62.100 -0.122 0.000 1.146 221 T CB -0.277 68.533 68.868 -0.096 0.000 0.865 221 T HN 0.346 nan 8.240 nan 0.000 0.435 222 D N 1.634 121.965 120.400 -0.115 0.000 2.149 222 D HA -0.023 4.617 4.640 -0.000 0.000 0.198 222 D C 2.088 178.331 176.300 -0.094 0.000 0.990 222 D CA 1.151 55.090 54.000 -0.103 0.000 0.839 222 D CB -0.440 40.287 40.800 -0.122 0.000 0.948 222 D HN 0.441 nan 8.370 nan 0.000 0.460 223 A N 0.183 122.939 122.820 -0.107 0.000 2.235 223 A HA -0.022 4.297 4.320 -0.000 0.000 0.208 223 A C 0.478 178.027 177.584 -0.059 0.000 1.172 223 A CA 0.743 52.737 52.037 -0.072 0.000 0.786 223 A CB -0.189 18.773 19.000 -0.063 0.000 0.804 223 A HN 0.114 nan 8.150 nan 0.000 0.479 224 D N -3.393 116.954 120.400 -0.089 0.000 2.800 224 D HA -0.188 4.452 4.640 -0.000 0.000 0.232 224 D C 0.749 176.950 176.300 -0.165 0.000 1.137 224 D CA 1.029 54.972 54.000 -0.095 0.000 0.718 224 D CB -1.212 39.564 40.800 -0.040 0.000 1.084 224 D HN 0.493 nan 8.370 nan 0.000 0.432 225 A N -0.602 122.050 122.820 -0.281 0.000 1.993 225 A HA 0.110 4.430 4.320 -0.000 0.000 0.207 225 A C 2.125 179.171 177.584 -0.898 0.000 1.224 225 A CA 0.609 52.263 52.037 -0.638 0.000 0.749 225 A CB -0.071 18.760 19.000 -0.281 0.000 0.884 225 A HN 0.306 nan 8.150 nan 0.000 0.467 226 M N 1.334 120.665 119.600 -0.448 0.000 2.255 226 M HA -0.219 4.261 4.480 -0.000 0.000 0.259 226 M C 2.042 178.159 176.300 -0.306 0.000 1.071 226 M CA 2.036 57.144 55.300 -0.321 0.000 1.074 226 M CB -0.925 31.566 32.600 -0.181 0.000 1.384 226 M HN 0.703 nan 8.290 nan 0.000 0.415 227 K N 0.425 120.629 120.400 -0.326 0.000 2.211 227 K HA -0.183 4.137 4.320 -0.000 0.000 0.204 227 K C 0.789 177.338 176.600 -0.085 0.000 1.047 227 K CA 1.587 57.779 56.287 -0.158 0.000 0.935 227 K CB -0.683 31.766 32.500 -0.084 0.000 0.728 227 K HN 0.513 nan 8.250 nan 0.000 0.452 228 Y N 0.299 120.574 120.300 -0.041 0.000 2.751 228 Y HA 0.506 5.055 4.550 -0.000 0.000 0.289 228 Y C -0.713 175.158 175.900 -0.050 0.000 1.110 228 Y CA -1.163 56.889 58.100 -0.080 0.000 1.251 228 Y CB -0.006 38.318 38.460 -0.227 0.000 1.178 228 Y HN -0.215 nan 8.280 nan 0.000 0.540 229 T N 2.414 116.930 114.554 -0.063 0.000 2.916 229 T HA 0.612 4.962 4.350 -0.000 0.000 0.298 229 T C -0.610 174.098 174.700 0.013 0.000 1.031 229 T CA -0.496 61.592 62.100 -0.021 0.000 0.993 229 T CB 1.844 70.635 68.868 -0.129 0.000 1.045 229 T HN 0.206 nan 8.240 nan 0.000 0.454 230 I N 2.006 122.604 120.570 0.047 0.000 2.562 230 I HA 0.643 4.813 4.170 -0.000 0.000 0.301 230 I C -0.725 175.426 176.117 0.057 0.000 1.003 230 I CA -1.222 60.110 61.300 0.054 0.000 1.127 230 I CB 2.102 40.149 38.000 0.078 0.000 1.304 230 I HN 0.237 nan 8.210 nan 0.000 0.446 231 V N 6.175 126.120 119.914 0.053 0.000 2.398 231 V HA 0.246 4.366 4.120 -0.000 0.000 0.282 231 V C -0.199 175.921 176.094 0.042 0.000 1.014 231 V CA -0.604 61.747 62.300 0.084 0.000 0.838 231 V CB 1.752 33.636 31.823 0.102 0.000 1.018 231 V HN 0.409 nan 8.190 nan 0.000 0.432 232 V N 3.553 123.471 119.914 0.006 0.000 2.432 232 V HA 0.549 4.669 4.120 -0.000 0.000 0.275 232 V C 0.419 176.493 176.094 -0.032 0.000 1.043 232 V CA -0.031 62.256 62.300 -0.021 0.000 0.925 232 V CB 1.589 33.385 31.823 -0.044 0.000 0.985 232 V HN 0.791 nan 8.190 nan 0.000 0.466 233 S N 3.617 119.308 115.700 -0.015 0.000 2.502 233 S HA 0.813 5.283 4.470 -0.000 0.000 0.304 233 S C -0.270 174.322 174.600 -0.013 0.000 1.097 233 S CA -0.038 58.157 58.200 -0.009 0.000 1.045 233 S CB 1.433 64.645 63.200 0.020 0.000 1.019 233 S HN 1.163 nan 8.310 nan 0.000 0.481 234 A N 3.867 126.678 122.820 -0.015 0.000 2.984 234 A HA 0.542 4.862 4.320 -0.000 0.000 0.320 234 A C 0.206 177.796 177.584 0.010 0.000 1.142 234 A CA -0.658 51.378 52.037 -0.002 0.000 0.772 234 A CB -0.099 18.894 19.000 -0.013 0.000 1.195 234 A HN 0.854 nan 8.150 nan 0.000 0.459 235 T N -1.263 113.303 114.554 0.020 0.000 2.754 235 T HA 0.509 4.859 4.350 -0.000 0.000 0.286 235 T C 1.608 176.327 174.700 0.032 0.000 0.997 235 T CA 0.074 62.190 62.100 0.026 0.000 0.982 235 T CB 1.086 69.971 68.868 0.029 0.000 1.027 235 T HN 1.294 nan 8.240 nan 0.000 0.529 236 A N 0.311 123.150 122.820 0.033 0.000 2.148 236 A HA -0.103 4.217 4.320 -0.000 0.000 0.222 236 A C 2.482 180.086 177.584 0.034 0.000 1.161 236 A CA 2.056 54.114 52.037 0.035 0.000 0.662 236 A CB -1.253 17.766 19.000 0.033 0.000 0.799 236 A HN 0.831 nan 8.150 nan 0.000 0.466 237 S N -0.583 115.136 115.700 0.032 0.000 2.486 237 S HA 0.018 4.488 4.470 -0.000 0.000 0.220 237 S C 0.322 174.942 174.600 0.035 0.000 1.011 237 S CA -0.271 57.947 58.200 0.030 0.000 0.921 237 S CB -0.307 62.908 63.200 0.026 0.000 0.785 237 S HN 0.558 nan 8.310 nan 0.000 0.517 238 D N 2.549 122.973 120.400 0.040 0.000 2.389 238 D HA 0.338 4.978 4.640 -0.000 0.000 0.247 238 D C 0.302 176.640 176.300 0.064 0.000 1.128 238 D CA 0.227 54.257 54.000 0.050 0.000 0.884 238 D CB 1.288 42.118 40.800 0.050 0.000 1.194 238 D HN 0.413 nan 8.370 nan 0.000 0.441 239 A N 1.857 124.721 122.820 0.073 0.000 2.547 239 A HA 0.245 4.565 4.320 -0.000 0.000 0.233 239 A C 1.499 179.152 177.584 0.115 0.000 1.067 239 A CA 0.471 52.557 52.037 0.083 0.000 0.763 239 A CB 0.224 19.277 19.000 0.088 0.000 1.007 239 A HN 0.680 nan 8.150 nan 0.000 0.506 240 A N 3.182 126.067 122.820 0.109 0.000 1.881 240 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 240 A C 0.029 177.752 177.584 0.231 0.000 1.215 240 A CA 2.349 54.470 52.037 0.140 0.000 0.648 240 A CB -2.025 17.036 19.000 0.101 0.000 0.832 240 A HN 0.664 nan 8.150 nan 0.000 0.455 241 P HA -0.187 nan 4.420 nan 0.000 0.216 241 P C 1.524 179.112 177.300 0.479 0.000 1.154 241 P CA 1.164 64.540 63.100 0.460 0.000 0.865 241 P CB -0.174 31.791 31.700 0.442 0.000 0.789 242 L N -1.109 120.299 121.223 0.307 0.000 2.012 242 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 242 L C 2.652 179.576 176.870 0.090 0.000 1.073 242 L CA 1.765 56.690 54.840 0.142 0.000 0.748 242 L CB -0.899 41.224 42.059 0.105 0.000 0.891 242 L HN 0.028 nan 8.230 nan 0.000 0.431 243 Q N -1.407 118.468 119.800 0.125 0.000 2.119 243 Q HA -0.260 4.080 4.340 -0.000 0.000 0.201 243 Q C 2.069 178.126 176.000 0.094 0.000 0.972 243 Q CA 1.813 57.665 55.803 0.081 0.000 0.847 243 Q CB -0.325 28.471 28.738 0.095 0.000 0.903 243 Q HN 0.491 nan 8.270 nan 0.000 0.433 244 Y N 1.182 121.534 120.300 0.086 0.000 2.151 244 Y HA -0.287 4.263 4.550 -0.000 0.000 0.284 244 Y C 1.875 177.818 175.900 0.072 0.000 1.166 244 Y CA 1.420 59.590 58.100 0.117 0.000 1.163 244 Y CB -0.317 38.292 38.460 0.248 0.000 0.974 244 Y HN 0.129 nan 8.280 nan 0.000 0.511 245 L N 0.764 121.892 121.223 -0.157 0.000 2.049 245 L HA 0.087 4.427 4.340 -0.000 0.000 0.203 245 L C 2.619 179.349 176.870 -0.232 0.000 1.074 245 L CA 2.005 56.691 54.840 -0.258 0.000 0.749 245 L CB -1.691 40.212 42.059 -0.259 0.000 0.907 245 L HN 0.313 nan 8.230 nan 0.000 0.439 246 A N 0.445 123.157 122.820 -0.181 0.000 1.899 246 A HA -0.332 3.988 4.320 -0.000 0.000 0.230 246 A C 0.210 177.691 177.584 -0.170 0.000 1.593 246 A CA 3.069 55.015 52.037 -0.152 0.000 0.728 246 A CB -2.539 16.393 19.000 -0.113 0.000 0.848 246 A HN 0.468 nan 8.150 nan 0.000 0.490 247 P HA -0.193 nan 4.420 nan 0.000 0.216 247 P C 1.119 178.287 177.300 -0.220 0.000 1.154 247 P CA 1.761 64.714 63.100 -0.245 0.000 0.865 247 P CB -0.255 31.041 31.700 -0.674 0.000 0.789 248 Y N -0.738 119.465 120.300 -0.162 0.000 2.145 248 Y HA -0.167 4.383 4.550 -0.000 0.000 0.286 248 Y C 2.703 178.556 175.900 -0.079 0.000 1.145 248 Y CA 1.202 59.212 58.100 -0.150 0.000 1.148 248 Y CB -1.029 37.284 38.460 -0.246 0.000 0.981 248 Y HN -0.083 nan 8.280 nan 0.000 0.507 249 S N -0.102 115.619 115.700 0.035 0.000 2.359 249 S HA -0.195 4.275 4.470 -0.000 0.000 0.224 249 S C 2.353 176.965 174.600 0.020 0.000 1.035 249 S CA 1.260 59.463 58.200 0.005 0.000 1.018 249 S CB -1.048 62.124 63.200 -0.046 0.000 0.876 249 S HN 0.677 nan 8.310 nan 0.000 0.448 250 G N -0.150 108.655 108.800 0.009 0.000 2.462 250 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.220 250 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.220 250 G C 1.660 176.583 174.900 0.039 0.000 1.121 250 G CA 1.073 46.177 45.100 0.007 0.000 0.758 250 G HN 0.577 nan 8.290 nan 0.000 0.559 251 C N 0.314 119.670 119.300 0.094 0.000 2.453 251 C HA 0.030 4.490 4.460 -0.000 0.000 0.277 251 C C 3.302 178.352 174.990 0.100 0.000 1.262 251 C CA 1.546 60.635 59.018 0.118 0.000 1.718 251 C CB -0.886 26.960 27.740 0.177 0.000 2.031 251 C HN 0.402 nan 8.230 nan 0.000 0.480 252 S N 0.764 116.516 115.700 0.086 0.000 2.365 252 S HA -0.257 4.213 4.470 -0.000 0.000 0.225 252 S C 1.706 176.369 174.600 0.104 0.000 1.039 252 S CA 2.262 60.508 58.200 0.075 0.000 1.033 252 S CB -0.442 62.786 63.200 0.048 0.000 0.887 252 S HN 0.638 nan 8.310 nan 0.000 0.447 253 M N 0.919 120.582 119.600 0.105 0.000 2.108 253 M HA -0.071 4.409 4.480 -0.000 0.000 0.261 253 M C 2.493 178.989 176.300 0.326 0.000 1.066 253 M CA 1.588 56.983 55.300 0.158 0.000 1.107 253 M CB -0.864 31.816 32.600 0.132 0.000 1.356 253 M HN 0.461 nan 8.290 nan 0.000 0.406 254 G N -0.119 108.826 108.800 0.243 0.000 2.402 254 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 254 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 254 G C 1.333 176.403 174.900 0.283 0.000 1.162 254 G CA 0.637 45.898 45.100 0.270 0.000 0.777 254 G HN 0.495 nan 8.290 nan 0.000 0.539 255 E N -0.554 119.749 120.200 0.173 0.000 2.209 255 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 255 E C 1.925 178.574 176.600 0.082 0.000 0.993 255 E CA 0.832 57.295 56.400 0.105 0.000 0.819 255 E CB -0.248 29.492 29.700 0.068 0.000 0.745 255 E HN 0.637 nan 8.360 nan 0.000 0.477 256 Y N 0.859 121.147 120.300 -0.021 0.000 2.053 256 Y HA -0.322 4.228 4.550 -0.000 0.000 0.277 256 Y C 1.821 177.571 175.900 -0.250 0.000 1.159 256 Y CA 1.905 59.887 58.100 -0.196 0.000 1.125 256 Y CB -0.543 37.687 38.460 -0.385 0.000 0.969 256 Y HN -0.070 nan 8.280 nan 0.000 0.492 257 F N 0.284 120.154 119.950 -0.132 0.000 2.134 257 F HA -0.127 4.400 4.527 -0.000 0.000 0.299 257 F C 2.765 178.392 175.800 -0.288 0.000 1.097 257 F CA 1.785 59.597 58.000 -0.314 0.000 1.264 257 F CB -0.958 37.915 39.000 -0.211 0.000 1.001 257 F HN -0.032 nan 8.300 nan 0.000 0.479 258 R N 0.862 121.381 120.500 0.030 0.000 2.113 258 R HA -0.206 4.134 4.340 -0.000 0.000 0.231 258 R C 1.657 177.890 176.300 -0.113 0.000 1.129 258 R CA 2.358 58.430 56.100 -0.047 0.000 0.915 258 R CB -0.647 29.651 30.300 -0.002 0.000 0.837 258 R HN 0.133 nan 8.270 nan 0.000 0.430 259 D N 0.194 120.527 120.400 -0.112 0.000 2.350 259 D HA -0.076 4.564 4.640 -0.000 0.000 0.216 259 D C 0.313 176.511 176.300 -0.171 0.000 0.968 259 D CA 0.748 54.684 54.000 -0.108 0.000 0.894 259 D CB -0.147 40.610 40.800 -0.072 0.000 0.909 259 D HN 0.265 nan 8.370 nan 0.000 0.520 260 N N -0.427 118.097 118.700 -0.293 0.000 2.380 260 N HA 0.170 4.910 4.740 -0.000 0.000 0.255 260 N C 1.107 176.471 175.510 -0.243 0.000 1.158 260 N CA 0.303 53.160 53.050 -0.322 0.000 0.878 260 N CB 1.298 39.440 38.487 -0.575 0.000 1.138 260 N HN 0.127 nan 8.380 nan 0.000 0.509 261 G N 0.541 109.227 108.800 -0.190 0.000 2.205 261 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.261 261 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.261 261 G C 0.334 175.106 174.900 -0.214 0.000 0.980 261 G CA 0.343 45.342 45.100 -0.168 0.000 0.632 261 G HN 0.210 nan 8.290 nan 0.000 0.533 262 K N 0.593 120.869 120.400 -0.206 0.000 2.109 262 K HA 0.535 4.855 4.320 -0.000 0.000 0.243 262 K C -0.178 176.293 176.600 -0.214 0.000 1.006 262 K CA -0.527 55.687 56.287 -0.121 0.000 0.917 262 K CB 0.633 33.096 32.500 -0.061 0.000 1.081 262 K HN 0.424 nan 8.250 nan 0.000 0.468 263 H N -0.474 118.662 119.070 0.110 0.000 2.466 263 H HA 0.516 5.072 4.556 -0.000 0.000 0.338 263 H C -0.608 174.752 175.328 0.052 0.000 1.091 263 H CA -0.585 55.503 56.048 0.065 0.000 1.207 263 H CB 1.906 31.684 29.762 0.026 0.000 1.466 263 H HN 0.657 nan 8.280 nan 0.000 0.493 264 A N 2.867 125.744 122.820 0.096 0.000 2.430 264 A HA 0.615 4.935 4.320 -0.000 0.000 0.300 264 A C -1.361 176.215 177.584 -0.014 0.000 1.124 264 A CA -0.715 51.307 52.037 -0.024 0.000 0.766 264 A CB 1.913 20.856 19.000 -0.096 0.000 1.328 264 A HN 0.476 nan 8.150 nan 0.000 0.424 265 L N 1.235 122.427 121.223 -0.053 0.000 2.457 265 L HA 0.680 5.020 4.340 -0.000 0.000 0.266 265 L C -1.309 175.502 176.870 -0.099 0.000 0.979 265 L CA -0.172 54.632 54.840 -0.060 0.000 0.857 265 L CB 1.113 43.145 42.059 -0.045 0.000 1.213 265 L HN 0.706 nan 8.230 nan 0.000 0.418 266 I N 5.472 125.939 120.570 -0.171 0.000 2.392 266 I HA 0.544 4.714 4.170 -0.000 0.000 0.295 266 I C -0.977 174.882 176.117 -0.430 0.000 0.985 266 I CA -0.580 60.529 61.300 -0.319 0.000 1.221 266 I CB 1.106 38.834 38.000 -0.454 0.000 1.366 266 I HN 0.635 nan 8.210 nan 0.000 0.467 267 I N 8.029 128.368 120.570 -0.386 0.000 2.382 267 I HA 0.209 4.379 4.170 -0.000 0.000 0.285 267 I C -1.238 174.610 176.117 -0.448 0.000 1.007 267 I CA -0.538 60.578 61.300 -0.307 0.000 1.142 267 I CB 0.969 38.960 38.000 -0.015 0.000 1.289 267 I HN 0.487 nan 8.210 nan 0.000 0.453 268 Y N 3.987 124.158 120.300 -0.215 0.000 2.650 268 Y HA 0.123 4.672 4.550 -0.000 0.000 0.343 268 Y C 0.709 176.450 175.900 -0.265 0.000 1.078 268 Y CA -0.721 57.210 58.100 -0.281 0.000 1.356 268 Y CB 0.040 38.328 38.460 -0.286 0.000 1.204 268 Y HN 0.474 nan 8.280 nan 0.000 0.508 269 D N 5.374 125.628 120.400 -0.242 0.000 2.359 269 D HA -0.029 4.611 4.640 -0.000 0.000 0.273 269 D C -0.241 176.004 176.300 -0.092 0.000 1.362 269 D CA 0.564 54.472 54.000 -0.154 0.000 1.010 269 D CB -0.422 40.262 40.800 -0.193 0.000 1.090 269 D HN 0.785 nan 8.370 nan 0.000 0.521 270 D N 2.368 122.729 120.400 -0.065 0.000 5.864 270 D HA -0.238 4.402 4.640 -0.000 0.000 0.244 270 D C -0.056 176.187 176.300 -0.094 0.000 1.511 270 D CA 0.324 54.284 54.000 -0.067 0.000 1.451 270 D CB -0.750 40.030 40.800 -0.033 0.000 0.732 270 D HN 0.415 nan 8.370 nan 0.000 0.394 271 L N 2.441 123.567 121.223 -0.161 0.000 2.509 271 L HA 0.029 4.369 4.340 -0.000 0.000 0.222 271 L C 2.441 179.295 176.870 -0.028 0.000 1.123 271 L CA 0.501 55.189 54.840 -0.253 0.000 0.856 271 L CB -0.387 41.239 42.059 -0.721 0.000 0.985 271 L HN 0.442 nan 8.230 nan 0.000 0.456 272 S N 0.462 116.160 115.700 -0.003 0.000 2.387 272 S HA -0.203 4.267 4.470 -0.000 0.000 0.230 272 S C 1.911 176.574 174.600 0.105 0.000 1.035 272 S CA 1.455 59.694 58.200 0.065 0.000 1.014 272 S CB -0.135 63.088 63.200 0.037 0.000 0.836 272 S HN 0.433 nan 8.310 nan 0.000 0.466 273 K N 0.596 121.035 120.400 0.065 0.000 2.305 273 K HA 0.079 4.399 4.320 -0.000 0.000 0.199 273 K C 2.308 178.968 176.600 0.100 0.000 1.047 273 K CA 0.350 56.685 56.287 0.079 0.000 0.976 273 K CB -0.053 32.474 32.500 0.045 0.000 0.765 273 K HN 0.299 nan 8.250 nan 0.000 0.474 274 Q N 0.678 120.527 119.800 0.081 0.000 2.245 274 Q HA -0.038 4.302 4.340 -0.000 0.000 0.201 274 Q C 1.816 177.952 176.000 0.227 0.000 0.955 274 Q CA 0.899 56.764 55.803 0.104 0.000 0.870 274 Q CB 0.167 28.890 28.738 -0.024 0.000 0.945 274 Q HN 0.266 nan 8.270 nan 0.000 0.461 275 A N 0.587 123.555 122.820 0.248 0.000 1.854 275 A HA -0.116 4.204 4.320 -0.000 0.000 0.214 275 A C 2.099 179.930 177.584 0.411 0.000 1.192 275 A CA 1.567 53.776 52.037 0.287 0.000 0.611 275 A CB -1.016 18.065 19.000 0.135 0.000 0.832 275 A HN 0.364 nan 8.150 nan 0.000 0.442 276 V N -1.860 118.257 119.914 0.338 0.000 2.759 276 V HA 0.013 4.133 4.120 -0.000 0.000 0.256 276 V C 2.308 178.496 176.094 0.156 0.000 1.080 276 V CA 2.004 64.437 62.300 0.222 0.000 1.101 276 V CB -0.910 30.992 31.823 0.131 0.000 0.698 276 V HN 0.522 nan 8.190 nan 0.000 0.477 277 A N -0.807 122.129 122.820 0.193 0.000 1.929 277 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 277 A C 2.141 179.862 177.584 0.228 0.000 1.176 277 A CA 1.666 53.811 52.037 0.181 0.000 0.628 277 A CB -0.869 18.248 19.000 0.195 0.000 0.816 277 A HN 0.728 nan 8.150 nan 0.000 0.444 278 Y N 0.419 120.810 120.300 0.152 0.000 2.220 278 Y HA -0.104 4.446 4.550 -0.000 0.000 0.291 278 Y C 2.433 178.374 175.900 0.068 0.000 1.129 278 Y CA 1.613 59.782 58.100 0.114 0.000 1.161 278 Y CB -0.493 38.079 38.460 0.187 0.000 0.997 278 Y HN 0.323 nan 8.280 nan 0.000 0.522 279 R N 0.234 120.790 120.500 0.092 0.000 2.117 279 R HA -0.270 4.070 4.340 -0.000 0.000 0.243 279 R C 2.432 178.659 176.300 -0.123 0.000 1.143 279 R CA 1.998 58.067 56.100 -0.052 0.000 0.968 279 R CB -0.343 29.908 30.300 -0.082 0.000 0.863 279 R HN 0.542 nan 8.270 nan 0.000 0.444 280 Q N 0.075 119.836 119.800 -0.065 0.000 2.061 280 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 280 Q C 2.039 177.977 176.000 -0.104 0.000 0.984 280 Q CA 2.183 57.947 55.803 -0.065 0.000 0.846 280 Q CB -0.043 28.684 28.738 -0.017 0.000 0.902 280 Q HN 0.401 nan 8.270 nan 0.000 0.421 281 M N -0.332 119.184 119.600 -0.140 0.000 2.117 281 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 281 M C 2.321 178.472 176.300 -0.248 0.000 1.065 281 M CA 1.462 56.651 55.300 -0.185 0.000 1.114 281 M CB 0.002 32.467 32.600 -0.224 0.000 1.361 281 M HN 0.097 nan 8.290 nan 0.000 0.408 282 S N 0.892 116.366 115.700 -0.377 0.000 2.343 282 S HA -0.087 4.383 4.470 -0.000 0.000 0.219 282 S C 1.896 176.394 174.600 -0.171 0.000 1.033 282 S CA 1.252 59.257 58.200 -0.325 0.000 1.014 282 S CB -0.573 62.398 63.200 -0.383 0.000 0.915 282 S HN 0.387 nan 8.310 nan 0.000 0.435 283 L N 0.976 122.114 121.223 -0.143 0.000 2.131 283 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 283 L C 2.189 179.011 176.870 -0.080 0.000 1.092 283 L CA 0.899 55.682 54.840 -0.095 0.000 0.759 283 L CB -0.495 41.511 42.059 -0.088 0.000 0.903 283 L HN 0.282 nan 8.230 nan 0.000 0.435 284 L N -0.861 120.309 121.223 -0.088 0.000 2.156 284 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 284 L C 2.032 178.863 176.870 -0.065 0.000 1.095 284 L CA 0.807 55.606 54.840 -0.068 0.000 0.770 284 L CB -0.147 41.872 42.059 -0.066 0.000 0.914 284 L HN 0.260 nan 8.230 nan 0.000 0.439 285 L N -0.538 120.636 121.223 -0.082 0.000 2.627 285 L HA 0.076 4.416 4.340 -0.000 0.000 0.233 285 L C 0.712 177.551 176.870 -0.051 0.000 1.144 285 L CA 0.149 54.950 54.840 -0.065 0.000 0.892 285 L CB -0.146 41.866 42.059 -0.078 0.000 1.039 285 L HN 0.248 nan 8.230 nan 0.000 0.442 286 R N -0.082 120.386 120.500 -0.053 0.000 3.776 286 R HA -0.154 4.186 4.340 -0.000 0.000 0.312 286 R C -0.077 176.203 176.300 -0.035 0.000 1.181 286 R CA 0.400 56.476 56.100 -0.040 0.000 0.836 286 R CB -1.586 28.697 30.300 -0.028 0.000 1.324 286 R HN 0.395 nan 8.270 nan 0.000 0.501 287 R N 2.118 122.591 120.500 -0.045 0.000 2.442 287 R HA 0.117 4.457 4.340 -0.000 0.000 0.291 287 R C -1.805 174.484 176.300 -0.020 0.000 1.069 287 R CA -1.343 54.739 56.100 -0.030 0.000 1.022 287 R CB 0.236 30.511 30.300 -0.042 0.000 0.976 287 R HN -0.003 nan 8.270 nan 0.000 0.443 288 P HA -0.011 nan 4.420 nan 0.000 0.258 288 P C -2.418 174.888 177.300 0.011 0.000 1.172 288 P CA -0.736 62.364 63.100 0.001 0.000 0.762 288 P CB -0.071 31.634 31.700 0.007 0.000 0.764 289 P HA 0.184 nan 4.420 nan 0.000 0.268 289 P C 0.702 178.016 177.300 0.024 0.000 1.205 289 P CA 0.226 63.333 63.100 0.011 0.000 0.771 289 P CB 0.621 32.314 31.700 -0.011 0.000 0.858 290 G N 2.047 110.880 108.800 0.055 0.000 3.341 290 G HA2 0.274 4.234 3.960 -0.000 0.000 0.177 290 G HA3 0.274 4.234 3.960 -0.000 0.000 0.177 290 G C -0.597 174.297 174.900 -0.010 0.000 1.236 290 G CA -0.592 44.524 45.100 0.028 0.000 0.888 290 G HN 0.469 nan 8.290 nan 0.000 0.644 291 R N 1.005 121.432 120.500 -0.121 0.000 2.458 291 R HA 0.177 4.517 4.340 -0.000 0.000 0.303 291 R C -0.066 176.251 176.300 0.028 0.000 1.013 291 R CA 0.711 56.664 56.100 -0.245 0.000 1.026 291 R CB -0.337 29.475 30.300 -0.812 0.000 0.948 291 R HN 0.666 nan 8.270 nan 0.000 0.417 292 E N 3.026 123.267 120.200 0.068 0.000 2.586 292 E HA -0.343 4.006 4.350 -0.000 0.000 0.259 292 E C 0.413 177.039 176.600 0.043 0.000 1.107 292 E CA 0.410 56.899 56.400 0.148 0.000 0.754 292 E CB -1.421 28.509 29.700 0.382 0.000 1.335 292 E HN 0.921 nan 8.360 nan 0.000 0.411 293 A N -2.268 120.563 122.820 0.019 0.000 3.721 293 A HA -0.337 3.983 4.320 -0.000 0.000 0.270 293 A C 0.340 177.913 177.584 -0.018 0.000 1.036 293 A CA 1.950 53.962 52.037 -0.042 0.000 1.102 293 A CB -1.979 16.950 19.000 -0.119 0.000 1.100 293 A HN 0.466 nan 8.150 nan 0.000 0.887 294 Y N 1.097 121.479 120.300 0.137 0.000 2.426 294 Y HA 0.390 4.940 4.550 -0.000 0.000 0.344 294 Y C -0.923 175.066 175.900 0.149 0.000 1.256 294 Y CA -0.784 57.417 58.100 0.168 0.000 1.451 294 Y CB 0.171 38.811 38.460 0.300 0.000 1.342 294 Y HN 0.286 nan 8.280 nan 0.000 0.600 295 P HA 0.044 nan 4.420 nan 0.000 0.277 295 P C 0.342 177.796 177.300 0.257 0.000 1.271 295 P CA -0.069 63.143 63.100 0.187 0.000 0.795 295 P CB 0.822 32.577 31.700 0.093 0.000 1.101 296 G N 0.455 109.374 108.800 0.198 0.000 2.484 296 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.218 296 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.218 296 G C 0.731 175.779 174.900 0.247 0.000 1.130 296 G CA 0.428 45.653 45.100 0.209 0.000 0.784 296 G HN 0.613 nan 8.290 nan 0.000 0.543 297 D N 1.076 121.639 120.400 0.271 0.000 2.325 297 D HA -0.029 4.611 4.640 -0.000 0.000 0.225 297 D C 2.171 178.636 176.300 0.274 0.000 1.096 297 D CA 0.348 54.539 54.000 0.317 0.000 0.844 297 D CB -0.367 40.651 40.800 0.363 0.000 0.925 297 D HN 0.290 nan 8.370 nan 0.000 0.513 298 V N -1.922 118.115 119.914 0.205 0.000 2.867 298 V HA -0.140 3.980 4.120 -0.000 0.000 0.260 298 V C 2.068 178.011 176.094 -0.251 0.000 1.099 298 V CA 0.862 63.139 62.300 -0.038 0.000 1.122 298 V CB -1.427 30.266 31.823 -0.216 0.000 0.708 298 V HN 0.124 nan 8.190 nan 0.000 0.490 299 F N 0.468 120.331 119.950 -0.145 0.000 2.220 299 F HA 0.051 4.578 4.527 -0.000 0.000 0.290 299 F C 2.272 178.088 175.800 0.026 0.000 1.080 299 F CA 1.054 58.989 58.000 -0.108 0.000 1.318 299 F CB -0.466 38.523 39.000 -0.019 0.000 1.063 299 F HN 0.119 nan 8.300 nan 0.000 0.498 300 Y N 1.018 121.194 120.300 -0.207 0.000 2.165 300 Y HA -0.209 4.341 4.550 -0.000 0.000 0.286 300 Y C 2.245 177.997 175.900 -0.247 0.000 1.155 300 Y CA 1.702 59.660 58.100 -0.237 0.000 1.164 300 Y CB -1.078 37.382 38.460 -0.000 0.000 0.978 300 Y HN 0.229 nan 8.280 nan 0.000 0.513 301 L N 0.075 121.160 121.223 -0.231 0.000 1.997 301 L HA -0.328 4.012 4.340 -0.000 0.000 0.216 301 L C 2.316 179.091 176.870 -0.158 0.000 1.074 301 L CA 2.573 57.256 54.840 -0.261 0.000 0.763 301 L CB -0.980 40.897 42.059 -0.303 0.000 0.890 301 L HN 0.427 nan 8.230 nan 0.000 0.434 302 H N -2.202 116.650 119.070 -0.364 0.000 2.497 302 H HA 0.013 4.569 4.556 -0.000 0.000 0.282 302 H C 2.291 177.368 175.328 -0.419 0.000 1.003 302 H CA 0.677 56.490 56.048 -0.393 0.000 1.307 302 H CB 0.179 29.734 29.762 -0.344 0.000 1.437 302 H HN 0.548 nan 8.280 nan 0.000 0.544 303 S N 1.468 116.899 115.700 -0.448 0.000 2.395 303 S HA -0.155 4.315 4.470 -0.000 0.000 0.225 303 S C 2.130 176.596 174.600 -0.224 0.000 1.027 303 S CA 0.662 58.613 58.200 -0.415 0.000 0.965 303 S CB -0.093 62.670 63.200 -0.728 0.000 0.812 303 S HN 0.488 nan 8.310 nan 0.000 0.482 304 R N 0.822 121.155 120.500 -0.278 0.000 2.073 304 R HA 0.081 4.421 4.340 -0.000 0.000 0.229 304 R C 2.358 178.576 176.300 -0.137 0.000 1.120 304 R CA 1.270 57.232 56.100 -0.230 0.000 0.967 304 R CB -0.913 29.070 30.300 -0.528 0.000 0.862 304 R HN 0.433 nan 8.270 nan 0.000 0.436 305 L N 1.584 122.742 121.223 -0.108 0.000 1.989 305 L HA -0.088 4.251 4.340 -0.000 0.000 0.211 305 L C 2.237 179.040 176.870 -0.112 0.000 1.071 305 L CA 1.691 56.490 54.840 -0.069 0.000 0.749 305 L CB -0.353 41.523 42.059 -0.305 0.000 0.890 305 L HN 0.238 nan 8.230 nan 0.000 0.431 306 L N -0.641 120.485 121.223 -0.162 0.000 2.376 306 L HA -0.081 4.259 4.340 -0.000 0.000 0.219 306 L C 2.389 179.241 176.870 -0.030 0.000 1.133 306 L CA 0.526 55.317 54.840 -0.083 0.000 0.816 306 L CB -0.579 41.412 42.059 -0.114 0.000 0.933 306 L HN 0.352 nan 8.230 nan 0.000 0.449 307 E N 0.380 120.556 120.200 -0.041 0.000 2.347 307 E HA -0.130 4.220 4.350 -0.000 0.000 0.196 307 E C 1.998 178.594 176.600 -0.007 0.000 1.008 307 E CA 0.528 56.918 56.400 -0.017 0.000 0.852 307 E CB 0.121 29.813 29.700 -0.013 0.000 0.783 307 E HN 0.493 nan 8.360 nan 0.000 0.505 308 R N 0.444 120.945 120.500 0.001 0.000 2.280 308 R HA 0.072 4.412 4.340 -0.000 0.000 0.207 308 R C 0.799 177.115 176.300 0.027 0.000 1.043 308 R CA 0.241 56.350 56.100 0.015 0.000 1.006 308 R CB 0.148 30.467 30.300 0.032 0.000 0.885 308 R HN -0.085 nan 8.270 nan 0.000 0.467 309 A N 1.106 123.947 122.820 0.034 0.000 2.328 309 A HA 0.675 4.995 4.320 -0.000 0.000 0.284 309 A C -0.260 177.332 177.584 0.014 0.000 1.160 309 A CA -0.084 51.973 52.037 0.034 0.000 0.818 309 A CB 0.673 19.702 19.000 0.048 0.000 1.087 309 A HN 0.274 nan 8.150 nan 0.000 0.504 310 A N 2.042 124.868 122.820 0.010 0.000 2.566 310 A HA 0.699 5.019 4.320 -0.000 0.000 0.290 310 A C -1.039 176.549 177.584 0.006 0.000 1.071 310 A CA -0.713 51.324 52.037 -0.001 0.000 0.658 310 A CB 0.920 19.907 19.000 -0.022 0.000 1.285 310 A HN 0.940 nan 8.150 nan 0.000 0.427 311 K N 1.567 121.969 120.400 0.004 0.000 2.389 311 K HA 0.575 4.895 4.320 -0.000 0.000 0.261 311 K C -0.631 175.969 176.600 0.000 0.000 1.014 311 K CA -0.333 55.966 56.287 0.020 0.000 0.920 311 K CB 0.283 32.801 32.500 0.029 0.000 1.149 311 K HN 0.595 nan 8.250 nan 0.000 0.444 312 M N 3.027 122.626 119.600 -0.003 0.000 2.233 312 M HA 0.179 4.659 4.480 -0.000 0.000 0.350 312 M C 0.252 176.576 176.300 0.040 0.000 1.176 312 M CA -0.426 54.872 55.300 -0.004 0.000 1.150 312 M CB 0.137 32.745 32.600 0.013 0.000 1.530 312 M HN 0.705 nan 8.290 nan 0.000 0.459 313 N N 0.897 119.637 118.700 0.068 0.000 2.413 313 N HA 0.162 4.902 4.740 -0.000 0.000 0.266 313 N C 0.109 175.691 175.510 0.120 0.000 1.238 313 N CA -0.462 52.642 53.050 0.091 0.000 0.972 313 N CB 0.519 39.063 38.487 0.095 0.000 1.210 313 N HN 0.394 nan 8.380 nan 0.000 0.547 314 D N -0.246 120.204 120.400 0.083 0.000 2.133 314 D HA -0.177 4.463 4.640 -0.000 0.000 0.195 314 D C 1.447 177.775 176.300 0.047 0.000 0.997 314 D CA 1.884 55.917 54.000 0.057 0.000 0.840 314 D CB -0.669 40.152 40.800 0.034 0.000 0.947 314 D HN 0.738 nan 8.370 nan 0.000 0.452 315 A N -1.002 121.858 122.820 0.066 0.000 2.248 315 A HA -0.036 4.283 4.320 -0.000 0.000 0.210 315 A C 0.918 178.362 177.584 -0.232 0.000 1.174 315 A CA 0.469 52.471 52.037 -0.057 0.000 0.750 315 A CB -0.525 18.443 19.000 -0.053 0.000 0.780 315 A HN 0.169 nan 8.150 nan 0.000 0.478 316 F N -2.243 117.691 119.950 -0.028 0.000 2.817 316 F HA 0.415 4.941 4.527 -0.000 0.000 0.319 316 F C 1.512 177.279 175.800 -0.055 0.000 1.136 316 F CA 0.458 58.435 58.000 -0.037 0.000 1.177 316 F CB 1.034 40.015 39.000 -0.032 0.000 1.088 316 F HN 0.280 nan 8.300 nan 0.000 0.520 317 G N -0.440 108.395 108.800 0.059 0.000 2.352 317 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.204 317 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.204 317 G C 1.312 176.203 174.900 -0.015 0.000 1.004 317 G CA -0.039 45.059 45.100 -0.003 0.000 0.648 317 G HN 1.040 nan 8.290 nan 0.000 0.491 318 G N -0.127 108.685 108.800 0.020 0.000 2.189 318 G HA2 0.114 4.074 3.960 -0.000 0.000 0.267 318 G HA3 0.114 4.074 3.960 -0.000 0.000 0.267 318 G C 1.706 176.568 174.900 -0.065 0.000 0.975 318 G CA 1.294 46.402 45.100 0.013 0.000 0.644 318 G HN 2.096 nan 8.290 nan 0.000 0.537 319 G N -0.440 108.258 108.800 -0.169 0.000 2.468 319 G HA2 0.739 4.699 3.960 -0.000 0.000 0.264 319 G HA3 0.739 4.699 3.960 -0.000 0.000 0.264 319 G C 0.414 175.165 174.900 -0.249 0.000 1.460 319 G CA 1.214 46.059 45.100 -0.425 0.000 1.060 319 G HN 2.053 nan 8.290 nan 0.000 0.543 320 S N -2.788 112.794 115.700 -0.195 0.000 2.645 320 S HA 0.470 4.940 4.470 -0.000 0.000 0.268 320 S C -1.897 172.729 174.600 0.044 0.000 1.110 320 S CA -0.732 57.475 58.200 0.012 0.000 0.823 320 S CB 1.517 64.819 63.200 0.170 0.000 1.091 320 S HN 1.389 nan 8.310 nan 0.000 0.466 321 L N 1.378 122.628 121.223 0.045 0.000 2.491 321 L HA 0.699 5.039 4.340 -0.000 0.000 0.267 321 L C -0.773 176.110 176.870 0.022 0.000 0.971 321 L CA 0.253 55.114 54.840 0.036 0.000 0.857 321 L CB 1.578 43.658 42.059 0.034 0.000 1.226 321 L HN 0.946 nan 8.230 nan 0.000 0.408 322 T N 4.174 118.733 114.554 0.008 0.000 2.799 322 T HA 0.810 5.160 4.350 -0.000 0.000 0.286 322 T C -0.219 174.459 174.700 -0.037 0.000 0.973 322 T CA -0.129 61.965 62.100 -0.009 0.000 1.035 322 T CB 1.217 70.073 68.868 -0.019 0.000 0.932 322 T HN 0.766 nan 8.240 nan 0.000 0.469 323 A N 3.983 126.790 122.820 -0.022 0.000 2.319 323 A HA 0.677 4.997 4.320 -0.000 0.000 0.310 323 A C -0.395 177.178 177.584 -0.019 0.000 1.152 323 A CA -0.681 51.332 52.037 -0.039 0.000 0.783 323 A CB 0.509 19.554 19.000 0.075 0.000 1.184 323 A HN 0.864 nan 8.150 nan 0.000 0.474 324 L N 5.324 126.515 121.223 -0.053 0.000 2.360 324 L HA 0.322 4.662 4.340 -0.000 0.000 0.265 324 L C -2.128 174.734 176.870 -0.014 0.000 1.066 324 L CA -1.691 53.132 54.840 -0.028 0.000 0.929 324 L CB 1.103 43.145 42.059 -0.028 0.000 1.306 324 L HN 0.520 nan 8.230 nan 0.000 0.434 325 P HA 0.202 nan 4.420 nan 0.000 0.276 325 P C -0.679 176.600 177.300 -0.036 0.000 1.244 325 P CA -0.279 62.845 63.100 0.041 0.000 0.801 325 P CB 2.110 33.807 31.700 -0.005 0.000 1.006 326 V N 2.775 122.657 119.914 -0.053 0.000 2.540 326 V HA 0.424 4.544 4.120 -0.000 0.000 0.302 326 V C 0.245 176.290 176.094 -0.082 0.000 1.035 326 V CA -0.595 61.667 62.300 -0.063 0.000 0.873 326 V CB 1.787 33.587 31.823 -0.039 0.000 0.992 326 V HN 0.413 nan 8.190 nan 0.000 0.428 327 I N 3.171 123.689 120.570 -0.087 0.000 2.466 327 I HA 0.399 4.569 4.170 -0.000 0.000 0.289 327 I C -0.017 176.063 176.117 -0.060 0.000 1.026 327 I CA -0.297 60.958 61.300 -0.076 0.000 1.078 327 I CB 2.082 40.029 38.000 -0.089 0.000 1.249 327 I HN 0.766 nan 8.210 nan 0.000 0.429 328 E N 5.510 125.692 120.200 -0.029 0.000 2.130 328 E HA 0.272 4.622 4.350 -0.000 0.000 0.284 328 E C -0.369 176.231 176.600 0.001 0.000 1.018 328 E CA -0.292 56.099 56.400 -0.016 0.000 0.817 328 E CB 1.014 30.716 29.700 0.004 0.000 1.078 328 E HN 0.675 nan 8.360 nan 0.000 0.396 329 T N 2.019 116.570 114.554 -0.006 0.000 2.874 329 T HA 0.257 4.607 4.350 -0.000 0.000 0.281 329 T C 0.123 174.843 174.700 0.033 0.000 0.994 329 T CA -0.966 61.145 62.100 0.017 0.000 1.015 329 T CB 1.439 70.317 68.868 0.016 0.000 1.028 329 T HN 0.308 nan 8.240 nan 0.000 0.523 330 Q N 0.681 120.510 119.800 0.049 0.000 2.372 330 Q HA 0.510 4.850 4.340 -0.000 0.000 0.259 330 Q C 0.562 176.593 176.000 0.051 0.000 0.993 330 Q CA 0.005 55.840 55.803 0.053 0.000 0.854 330 Q CB 0.992 29.769 28.738 0.065 0.000 1.231 330 Q HN 1.184 nan 8.270 nan 0.000 0.462 331 A N 2.520 125.368 122.820 0.047 0.000 2.822 331 A HA -0.169 4.151 4.320 -0.000 0.000 0.287 331 A C 1.070 178.681 177.584 0.044 0.000 1.479 331 A CA 1.259 53.324 52.037 0.045 0.000 0.779 331 A CB -2.144 16.885 19.000 0.048 0.000 1.022 331 A HN 1.500 nan 8.150 nan 0.000 0.532 332 G N -1.064 107.761 108.800 0.043 0.000 2.198 332 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.260 332 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.260 332 G C -0.090 174.856 174.900 0.078 0.000 1.025 332 G CA 1.141 46.276 45.100 0.059 0.000 0.769 332 G HN 1.873 nan 8.290 nan 0.000 0.507 333 D N 0.304 120.746 120.400 0.070 0.000 2.631 333 D HA 0.379 5.019 4.640 -0.000 0.000 0.227 333 D C 1.887 178.240 176.300 0.088 0.000 1.146 333 D CA 0.188 54.234 54.000 0.076 0.000 1.009 333 D CB 0.222 41.062 40.800 0.067 0.000 1.057 333 D HN 0.580 nan 8.370 nan 0.000 0.509 334 V N 0.381 120.366 119.914 0.120 0.000 3.186 334 V HA -0.072 4.048 4.120 -0.000 0.000 0.270 334 V C 1.573 177.734 176.094 0.111 0.000 1.149 334 V CA 1.130 63.507 62.300 0.128 0.000 1.160 334 V CB -0.461 31.523 31.823 0.269 0.000 0.758 334 V HN 0.276 nan 8.190 nan 0.000 0.516 335 S N 0.403 116.164 115.700 0.100 0.000 2.558 335 S HA 0.509 4.979 4.470 -0.000 0.000 0.217 335 S C 1.320 175.978 174.600 0.096 0.000 0.975 335 S CA 0.351 58.605 58.200 0.090 0.000 0.912 335 S CB -0.237 63.007 63.200 0.073 0.000 0.776 335 S HN 0.945 nan 8.310 nan 0.000 0.526 336 A N 0.676 123.556 122.820 0.100 0.000 2.492 336 A HA 0.208 4.528 4.320 -0.000 0.000 0.236 336 A C 0.822 178.508 177.584 0.171 0.000 1.078 336 A CA -0.051 52.062 52.037 0.126 0.000 0.773 336 A CB -0.250 18.819 19.000 0.116 0.000 1.023 336 A HN 0.516 nan 8.150 nan 0.000 0.504 337 Y N 1.042 121.360 120.300 0.031 0.000 1.940 337 Y HA -0.317 4.233 4.550 -0.000 0.000 0.250 337 Y C 2.008 177.883 175.900 -0.042 0.000 1.132 337 Y CA 2.112 60.212 58.100 -0.001 0.000 1.079 337 Y CB -0.164 38.300 38.460 0.006 0.000 0.940 337 Y HN 0.564 nan 8.280 nan 0.000 0.490 338 I N 0.565 121.007 120.570 -0.214 0.000 2.113 338 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 338 I C -0.477 175.577 176.117 -0.104 0.000 1.064 338 I CA 1.819 62.917 61.300 -0.336 0.000 1.320 338 I CB -3.088 34.715 38.000 -0.329 0.000 1.028 338 I HN 0.267 nan 8.210 nan 0.000 0.406 339 P HA -0.176 nan 4.420 nan 0.000 0.216 339 P C 1.770 179.074 177.300 0.006 0.000 1.157 339 P CA 2.679 65.771 63.100 -0.013 0.000 0.880 339 P CB -0.294 31.413 31.700 0.012 0.000 0.791 340 T N -4.241 110.338 114.554 0.043 0.000 2.995 340 T HA -0.047 4.303 4.350 -0.000 0.000 0.269 340 T C 1.637 176.380 174.700 0.072 0.000 1.091 340 T CA 0.820 62.959 62.100 0.065 0.000 1.128 340 T CB -0.819 68.103 68.868 0.090 0.000 0.891 340 T HN 0.035 nan 8.240 nan 0.000 0.492 341 N N 1.631 120.367 118.700 0.058 0.000 2.022 341 N HA -0.054 4.686 4.740 -0.000 0.000 0.194 341 N C 2.091 177.704 175.510 0.172 0.000 1.057 341 N CA 1.370 54.509 53.050 0.148 0.000 0.849 341 N CB -0.803 37.728 38.487 0.073 0.000 1.044 341 N HN 0.243 nan 8.380 nan 0.000 0.424 342 V N 2.539 122.506 119.914 0.089 0.000 2.324 342 V HA -0.218 3.902 4.120 -0.000 0.000 0.250 342 V C 2.379 178.493 176.094 0.033 0.000 1.060 342 V CA 1.310 63.637 62.300 0.046 0.000 1.042 342 V CB -0.500 31.317 31.823 -0.009 0.000 0.650 342 V HN 0.292 nan 8.190 nan 0.000 0.450 343 I N 1.037 121.623 120.570 0.027 0.000 2.335 343 I HA -0.180 3.990 4.170 -0.000 0.000 0.251 343 I C 2.002 178.157 176.117 0.064 0.000 1.129 343 I CA 1.871 63.187 61.300 0.026 0.000 1.402 343 I CB -0.335 37.685 38.000 0.032 0.000 1.069 343 I HN 0.511 nan 8.210 nan 0.000 0.424 344 S N -0.516 115.245 115.700 0.102 0.000 2.763 344 S HA 0.300 4.770 4.470 -0.000 0.000 0.237 344 S C 0.927 175.637 174.600 0.184 0.000 0.966 344 S CA -0.210 58.066 58.200 0.127 0.000 1.017 344 S CB -0.248 63.020 63.200 0.115 0.000 0.780 344 S HN 0.421 nan 8.310 nan 0.000 0.476 345 I N 0.085 120.731 120.570 0.126 0.000 4.317 345 I HA 0.070 4.240 4.170 -0.000 0.000 0.289 345 I C 1.056 177.199 176.117 0.043 0.000 1.164 345 I CA 0.288 61.645 61.300 0.095 0.000 1.312 345 I CB -0.115 37.908 38.000 0.039 0.000 1.569 345 I HN 0.337 nan 8.210 nan 0.000 0.450 346 T N -1.111 113.457 114.554 0.024 0.000 2.748 346 T HA 0.086 4.436 4.350 -0.000 0.000 0.304 346 T C 0.324 175.037 174.700 0.022 0.000 1.041 346 T CA -0.128 61.978 62.100 0.010 0.000 1.033 346 T CB 0.690 69.551 68.868 -0.011 0.000 0.995 346 T HN 0.041 nan 8.240 nan 0.000 0.536 347 D N 0.403 120.813 120.400 0.017 0.000 2.395 347 D HA 0.383 5.023 4.640 -0.000 0.000 0.226 347 D C 0.801 177.117 176.300 0.028 0.000 1.146 347 D CA 0.275 54.289 54.000 0.023 0.000 0.830 347 D CB -0.003 40.808 40.800 0.018 0.000 0.958 347 D HN 0.951 nan 8.370 nan 0.000 0.501 348 G N 0.451 109.267 108.800 0.028 0.000 2.350 348 G HA2 0.269 4.229 3.960 -0.000 0.000 0.305 348 G HA3 0.269 4.229 3.960 -0.000 0.000 0.305 348 G C -1.861 173.049 174.900 0.017 0.000 1.479 348 G CA -0.937 44.189 45.100 0.042 0.000 0.949 348 G HN -0.020 nan 8.290 nan 0.000 0.651 349 Q N -0.726 119.099 119.800 0.041 0.000 2.397 349 Q HA 0.774 5.114 4.340 -0.000 0.000 0.275 349 Q C -0.499 175.509 176.000 0.014 0.000 1.090 349 Q CA -0.652 55.102 55.803 -0.081 0.000 0.809 349 Q CB 2.765 31.305 28.738 -0.329 0.000 1.362 349 Q HN 0.579 nan 8.270 nan 0.000 0.431 350 I N 2.495 123.022 120.570 -0.070 0.000 2.405 350 I HA 0.335 4.505 4.170 -0.000 0.000 0.280 350 I C -1.006 175.105 176.117 -0.011 0.000 1.027 350 I CA -0.578 60.742 61.300 0.035 0.000 1.161 350 I CB 0.448 38.451 38.000 0.005 0.000 1.300 350 I HN 0.485 nan 8.210 nan 0.000 0.463 351 F N 6.602 126.549 119.950 -0.006 0.000 2.438 351 F HA 0.328 4.855 4.527 -0.000 0.000 0.356 351 F C 0.240 176.029 175.800 -0.019 0.000 1.099 351 F CA -0.237 57.756 58.000 -0.011 0.000 1.185 351 F CB 0.618 39.614 39.000 -0.005 0.000 1.115 351 F HN 0.195 nan 8.300 nan 0.000 0.526 352 L N 4.256 125.537 121.223 0.098 0.000 2.294 352 L HA 0.353 4.692 4.340 -0.000 0.000 0.283 352 L C -0.072 176.813 176.870 0.025 0.000 1.015 352 L CA -0.522 54.337 54.840 0.031 0.000 0.831 352 L CB 1.091 43.116 42.059 -0.056 0.000 1.217 352 L HN 0.577 nan 8.230 nan 0.000 0.420 353 E N 1.550 121.774 120.200 0.039 0.000 2.289 353 E HA 0.108 4.458 4.350 -0.000 0.000 0.278 353 E C 0.471 177.045 176.600 -0.045 0.000 1.032 353 E CA -0.258 56.151 56.400 0.015 0.000 0.854 353 E CB 1.728 31.446 29.700 0.029 0.000 1.046 353 E HN 0.535 nan 8.360 nan 0.000 0.409 354 T N 3.002 117.490 114.554 -0.110 0.000 2.746 354 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 354 T C 1.289 175.810 174.700 -0.298 0.000 1.039 354 T CA 0.980 62.910 62.100 -0.283 0.000 1.142 354 T CB 0.045 68.742 68.868 -0.285 0.000 0.866 354 T HN 0.390 nan 8.240 nan 0.000 0.444 355 E N 1.049 121.178 120.200 -0.119 0.000 2.153 355 E HA 0.005 4.355 4.350 -0.000 0.000 0.194 355 E C 2.268 178.876 176.600 0.013 0.000 0.988 355 E CA 0.622 57.001 56.400 -0.035 0.000 0.811 355 E CB -0.386 29.317 29.700 0.005 0.000 0.746 355 E HN 0.473 nan 8.360 nan 0.000 0.466 356 L N -0.258 120.982 121.223 0.027 0.000 2.109 356 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 356 L C 2.367 179.308 176.870 0.119 0.000 1.086 356 L CA 0.637 55.519 54.840 0.069 0.000 0.760 356 L CB -0.338 41.764 42.059 0.073 0.000 0.910 356 L HN 0.047 nan 8.230 nan 0.000 0.437 357 F N 0.427 120.332 119.950 -0.076 0.000 2.031 357 F HA -0.264 4.263 4.527 -0.000 0.000 0.295 357 F C 2.312 178.185 175.800 0.122 0.000 1.133 357 F CA 1.527 59.509 58.000 -0.030 0.000 1.188 357 F CB -0.603 38.313 39.000 -0.140 0.000 0.974 357 F HN -0.008 nan 8.300 nan 0.000 0.473 358 Y N 0.647 120.962 120.300 0.025 0.000 2.651 358 Y HA -0.080 4.470 4.550 -0.000 0.000 0.296 358 Y C 2.187 178.038 175.900 -0.081 0.000 1.150 358 Y CA 0.750 58.790 58.100 -0.100 0.000 1.348 358 Y CB -1.422 37.051 38.460 0.022 0.000 0.983 358 Y HN 0.242 nan 8.280 nan 0.000 0.555 359 K N -0.527 119.928 120.400 0.092 0.000 2.374 359 K HA 0.221 4.541 4.320 -0.000 0.000 0.196 359 K C 1.342 177.950 176.600 0.015 0.000 1.023 359 K CA 0.732 57.051 56.287 0.053 0.000 1.103 359 K CB 0.098 32.632 32.500 0.058 0.000 0.848 359 K HN 0.309 nan 8.250 nan 0.000 0.528 360 G N 1.133 109.916 108.800 -0.028 0.000 2.213 360 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.236 360 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.236 360 G C 0.005 174.904 174.900 -0.001 0.000 0.991 360 G CA -0.069 45.005 45.100 -0.043 0.000 0.629 360 G HN 0.201 nan 8.290 nan 0.000 0.517 361 I N 2.407 123.000 120.570 0.038 0.000 2.389 361 I HA 0.298 4.468 4.170 -0.000 0.000 0.295 361 I C 0.696 176.878 176.117 0.109 0.000 1.117 361 I CA 0.528 61.868 61.300 0.066 0.000 1.317 361 I CB -0.354 37.690 38.000 0.073 0.000 1.431 361 I HN 0.183 nan 8.210 nan 0.000 0.521 362 R N 7.960 128.516 120.500 0.094 0.000 2.532 362 R HA 0.408 4.748 4.340 -0.000 0.000 0.297 362 R C -2.594 173.754 176.300 0.080 0.000 0.984 362 R CA -1.706 54.473 56.100 0.132 0.000 0.884 362 R CB 2.439 32.829 30.300 0.149 0.000 1.182 362 R HN 0.292 nan 8.270 nan 0.000 0.442 363 P HA 0.016 nan 4.420 nan 0.000 0.271 363 P C -0.288 177.067 177.300 0.092 0.000 1.220 363 P CA -0.095 63.053 63.100 0.081 0.000 0.768 363 P CB 1.083 32.810 31.700 0.045 0.000 0.848 364 A N 5.284 128.176 122.820 0.119 0.000 2.958 364 A HA 0.161 4.481 4.320 -0.000 0.000 0.247 364 A C 0.787 178.414 177.584 0.072 0.000 1.679 364 A CA -0.339 51.766 52.037 0.113 0.000 1.345 364 A CB -1.425 17.669 19.000 0.157 0.000 1.013 364 A HN 0.516 nan 8.150 nan 0.000 0.641 365 I N 1.532 122.144 120.570 0.069 0.000 2.308 365 I HA 0.011 4.181 4.170 -0.000 0.000 0.293 365 I C 0.549 176.713 176.117 0.078 0.000 1.078 365 I CA -0.450 60.895 61.300 0.074 0.000 1.292 365 I CB 0.407 38.446 38.000 0.065 0.000 1.423 365 I HN 0.375 nan 8.210 nan 0.000 0.493 366 N N 7.153 125.910 118.700 0.094 0.000 2.454 366 N HA -0.007 4.733 4.740 -0.000 0.000 0.285 366 N C 0.915 176.450 175.510 0.041 0.000 1.233 366 N CA 0.189 53.272 53.050 0.055 0.000 1.036 366 N CB 0.823 39.335 38.487 0.042 0.000 1.423 366 N HN 0.416 nan 8.380 nan 0.000 0.495 367 V N 3.626 123.563 119.914 0.038 0.000 2.252 367 V HA -0.241 3.879 4.120 -0.000 0.000 0.249 367 V C 2.456 178.549 176.094 -0.002 0.000 1.056 367 V CA 2.341 64.661 62.300 0.034 0.000 1.022 367 V CB -1.137 30.709 31.823 0.039 0.000 0.641 367 V HN 0.723 nan 8.190 nan 0.000 0.445 368 G N -0.891 107.892 108.800 -0.027 0.000 2.485 368 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.221 368 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.221 368 G C 1.545 176.367 174.900 -0.129 0.000 1.115 368 G CA 1.119 46.182 45.100 -0.061 0.000 0.751 368 G HN 0.489 nan 8.290 nan 0.000 0.567 369 L N 0.089 121.177 121.223 -0.225 0.000 2.316 369 L HA 0.172 4.512 4.340 -0.000 0.000 0.207 369 L C 1.450 178.133 176.870 -0.312 0.000 1.070 369 L CA -0.139 54.393 54.840 -0.513 0.000 0.820 369 L CB -0.084 41.320 42.059 -1.091 0.000 0.992 369 L HN 0.044 nan 8.230 nan 0.000 0.466 370 S N -0.249 115.481 115.700 0.049 0.000 2.580 370 S HA 0.354 4.824 4.470 -0.000 0.000 0.266 370 S C -0.142 174.559 174.600 0.169 0.000 1.354 370 S CA -0.403 57.992 58.200 0.325 0.000 1.008 370 S CB 1.354 64.701 63.200 0.244 0.000 0.898 370 S HN 0.082 nan 8.310 nan 0.000 0.555 371 V N -0.946 119.069 119.914 0.167 0.000 3.253 371 V HA 0.801 4.921 4.120 -0.000 0.000 0.300 371 V C -0.586 175.551 176.094 0.072 0.000 1.398 371 V CA -0.932 61.428 62.300 0.099 0.000 1.067 371 V CB 1.903 33.783 31.823 0.096 0.000 1.102 371 V HN 0.727 nan 8.190 nan 0.000 0.455 372 S N -0.414 115.317 115.700 0.050 0.000 2.356 372 S HA 0.362 4.832 4.470 -0.000 0.000 0.171 372 S C 0.751 175.369 174.600 0.029 0.000 1.399 372 S CA -0.617 57.604 58.200 0.035 0.000 1.225 372 S CB 0.398 63.614 63.200 0.026 0.000 1.271 372 S HN 0.746 nan 8.310 nan 0.000 0.427 373 R N 1.163 121.682 120.500 0.032 0.000 2.261 373 R HA -0.075 4.265 4.340 -0.000 0.000 0.236 373 R C 1.325 177.638 176.300 0.021 0.000 1.141 373 R CA 1.866 57.983 56.100 0.028 0.000 1.001 373 R CB -0.251 30.068 30.300 0.032 0.000 0.866 373 R HN 0.562 nan 8.270 nan 0.000 0.468 374 V N -6.450 113.474 119.914 0.017 0.000 3.432 374 V HA 0.331 4.450 4.120 -0.000 0.000 0.290 374 V C 1.411 177.508 176.094 0.006 0.000 1.591 374 V CA 0.366 62.672 62.300 0.011 0.000 1.069 374 V CB 0.597 32.426 31.823 0.011 0.000 0.892 374 V HN 0.117 nan 8.190 nan 0.000 0.436 375 G N 0.797 109.600 108.800 0.006 0.000 2.572 375 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.216 375 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.216 375 G C 1.370 176.270 174.900 -0.000 0.000 1.133 375 G CA 1.170 46.270 45.100 0.000 0.000 0.791 375 G HN 0.459 nan 8.290 nan 0.000 0.538 376 S N 1.261 116.963 115.700 0.005 0.000 2.354 376 S HA -0.122 4.348 4.470 -0.000 0.000 0.219 376 S C 2.854 177.455 174.600 0.001 0.000 1.035 376 S CA 1.394 59.597 58.200 0.005 0.000 1.037 376 S CB -0.592 62.613 63.200 0.008 0.000 0.956 376 S HN 0.566 nan 8.310 nan 0.000 0.428 377 A N 1.212 124.033 122.820 0.001 0.000 1.997 377 A HA -0.077 4.243 4.320 -0.000 0.000 0.221 377 A C 2.196 179.775 177.584 -0.007 0.000 1.172 377 A CA 1.981 54.018 52.037 -0.001 0.000 0.645 377 A CB -0.923 18.078 19.000 0.001 0.000 0.813 377 A HN 0.573 nan 8.150 nan 0.000 0.454 378 A N -1.379 121.434 122.820 -0.011 0.000 2.119 378 A HA 0.107 4.427 4.320 -0.000 0.000 0.216 378 A C 1.309 178.877 177.584 -0.027 0.000 1.152 378 A CA 0.669 52.692 52.037 -0.023 0.000 0.708 378 A CB -0.263 18.721 19.000 -0.028 0.000 0.805 378 A HN 0.663 nan 8.150 nan 0.000 0.460 379 Q N 0.940 120.731 119.800 -0.016 0.000 2.352 379 Q HA 0.243 4.583 4.340 -0.000 0.000 0.260 379 Q C -0.497 175.496 176.000 -0.012 0.000 0.976 379 Q CA -0.171 55.624 55.803 -0.013 0.000 0.881 379 Q CB 0.519 29.255 28.738 -0.003 0.000 1.235 379 Q HN 0.418 nan 8.270 nan 0.000 0.419 380 T N 3.068 117.615 114.554 -0.012 0.000 2.932 380 T HA -0.007 4.343 4.350 -0.000 0.000 0.312 380 T C 0.875 175.573 174.700 -0.003 0.000 1.071 380 T CA -0.354 61.741 62.100 -0.009 0.000 1.128 380 T CB 0.662 69.528 68.868 -0.004 0.000 0.984 380 T HN 0.643 nan 8.240 nan 0.000 0.549 381 R N 1.710 122.207 120.500 -0.004 0.000 2.189 381 R HA 0.006 4.346 4.340 -0.000 0.000 0.223 381 R C 2.206 178.506 176.300 -0.001 0.000 1.092 381 R CA 1.512 57.611 56.100 -0.002 0.000 0.989 381 R CB -0.993 29.305 30.300 -0.003 0.000 0.876 381 R HN 0.763 nan 8.270 nan 0.000 0.457 382 A N 0.500 123.318 122.820 -0.003 0.000 1.841 382 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 382 A C 2.089 179.677 177.584 0.006 0.000 1.199 382 A CA 1.669 53.703 52.037 -0.006 0.000 0.621 382 A CB -0.550 18.445 19.000 -0.008 0.000 0.835 382 A HN 0.302 nan 8.150 nan 0.000 0.445 383 M N -1.146 118.460 119.600 0.011 0.000 2.084 383 M HA -0.178 4.302 4.480 -0.000 0.000 0.259 383 M C 2.074 178.387 176.300 0.021 0.000 1.072 383 M CA 2.161 57.472 55.300 0.019 0.000 1.107 383 M CB -1.135 31.476 32.600 0.017 0.000 1.299 383 M HN 0.385 nan 8.290 nan 0.000 0.413 384 K N 0.263 120.672 120.400 0.015 0.000 2.159 384 K HA -0.272 4.048 4.320 -0.000 0.000 0.217 384 K C 1.869 178.482 176.600 0.021 0.000 1.048 384 K CA 2.269 58.565 56.287 0.015 0.000 0.941 384 K CB -0.418 32.088 32.500 0.010 0.000 0.738 384 K HN 0.488 nan 8.250 nan 0.000 0.469 385 Q N -0.752 119.062 119.800 0.023 0.000 1.948 385 Q HA -0.180 4.160 4.340 -0.000 0.000 0.205 385 Q C 2.104 178.133 176.000 0.049 0.000 0.992 385 Q CA 2.380 58.203 55.803 0.033 0.000 0.849 385 Q CB -0.425 28.331 28.738 0.030 0.000 0.918 385 Q HN 0.399 nan 8.270 nan 0.000 0.421 386 V N -1.601 118.351 119.914 0.063 0.000 2.244 386 V HA -0.103 4.017 4.120 -0.000 0.000 0.244 386 V C 2.200 178.321 176.094 0.045 0.000 1.042 386 V CA 1.745 64.092 62.300 0.077 0.000 1.006 386 V CB -1.454 30.436 31.823 0.112 0.000 0.641 386 V HN 0.358 nan 8.190 nan 0.000 0.446 387 A N 1.244 124.086 122.820 0.036 0.000 2.024 387 A HA 0.030 4.350 4.320 -0.000 0.000 0.220 387 A C 2.332 179.929 177.584 0.022 0.000 1.164 387 A CA 1.900 53.952 52.037 0.025 0.000 0.643 387 A CB -1.494 17.520 19.000 0.023 0.000 0.806 387 A HN 0.795 nan 8.150 nan 0.000 0.451 388 G N -0.558 108.256 108.800 0.023 0.000 2.422 388 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.218 388 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.218 388 G C 1.564 176.475 174.900 0.018 0.000 1.146 388 G CA 1.731 46.843 45.100 0.020 0.000 0.769 388 G HN 0.570 nan 8.290 nan 0.000 0.547 389 T N -0.483 114.083 114.554 0.020 0.000 3.014 389 T HA 0.089 4.439 4.350 -0.000 0.000 0.263 389 T C 2.234 176.940 174.700 0.009 0.000 1.078 389 T CA 0.915 63.024 62.100 0.015 0.000 1.135 389 T CB -0.051 68.827 68.868 0.017 0.000 0.895 389 T HN 0.269 nan 8.240 nan 0.000 0.480 390 M N 0.855 120.461 119.600 0.009 0.000 2.254 390 M HA 0.059 4.539 4.480 -0.000 0.000 0.265 390 M C 2.168 178.474 176.300 0.009 0.000 1.066 390 M CA 1.522 56.823 55.300 0.001 0.000 1.123 390 M CB -0.079 32.521 32.600 -0.000 0.000 1.388 390 M HN 0.045 nan 8.290 nan 0.000 0.425 391 K N 0.841 121.250 120.400 0.015 0.000 2.148 391 K HA -0.046 4.274 4.320 -0.000 0.000 0.204 391 K C 1.548 178.161 176.600 0.023 0.000 1.050 391 K CA 1.541 57.840 56.287 0.020 0.000 0.942 391 K CB -0.555 31.957 32.500 0.019 0.000 0.724 391 K HN 0.531 nan 8.250 nan 0.000 0.446 392 L N -0.049 121.186 121.223 0.019 0.000 2.044 392 L HA -0.044 4.296 4.340 -0.000 0.000 0.205 392 L C 2.176 179.062 176.870 0.027 0.000 1.075 392 L CA 1.379 56.231 54.840 0.020 0.000 0.747 392 L CB -0.578 41.490 42.059 0.015 0.000 0.903 392 L HN 0.191 nan 8.230 nan 0.000 0.435 393 E N 0.521 120.733 120.200 0.020 0.000 2.204 393 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 393 E C 2.249 178.884 176.600 0.058 0.000 0.990 393 E CA 0.900 57.313 56.400 0.023 0.000 0.821 393 E CB -0.045 29.650 29.700 -0.009 0.000 0.750 393 E HN 0.467 nan 8.360 nan 0.000 0.477 394 L N -0.008 121.251 121.223 0.059 0.000 2.492 394 L HA 0.031 4.371 4.340 -0.000 0.000 0.223 394 L C 2.229 179.176 176.870 0.129 0.000 1.132 394 L CA 0.096 55.007 54.840 0.118 0.000 0.850 394 L CB -0.083 42.022 42.059 0.077 0.000 0.966 394 L HN 0.132 nan 8.230 nan 0.000 0.454 395 A N -0.228 122.637 122.820 0.074 0.000 1.843 395 A HA -0.177 4.143 4.320 -0.000 0.000 0.213 395 A C 2.146 179.757 177.584 0.046 0.000 1.202 395 A CA 0.927 52.991 52.037 0.045 0.000 0.607 395 A CB -0.340 18.676 19.000 0.026 0.000 0.847 395 A HN 0.359 nan 8.150 nan 0.000 0.445 396 Q N -1.751 118.083 119.800 0.056 0.000 2.112 396 Q HA -0.246 4.094 4.340 -0.000 0.000 0.206 396 Q C 2.006 178.051 176.000 0.075 0.000 0.987 396 Q CA 2.035 57.869 55.803 0.051 0.000 0.858 396 Q CB -0.409 28.359 28.738 0.051 0.000 0.905 396 Q HN 0.822 nan 8.270 nan 0.000 0.420 397 Y N 1.168 121.459 120.300 -0.015 0.000 2.200 397 Y HA -0.167 4.383 4.550 -0.000 0.000 0.290 397 Y C 2.314 178.205 175.900 -0.014 0.000 1.137 397 Y CA 1.508 59.599 58.100 -0.015 0.000 1.163 397 Y CB -0.090 38.361 38.460 -0.016 0.000 0.988 397 Y HN -0.113 nan 8.280 nan 0.000 0.518 398 R N 0.386 120.827 120.500 -0.097 0.000 2.152 398 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 398 R C 1.856 178.048 176.300 -0.179 0.000 1.117 398 R CA 1.776 57.763 56.100 -0.188 0.000 0.981 398 R CB -0.066 30.206 30.300 -0.046 0.000 0.870 398 R HN 0.543 nan 8.270 nan 0.000 0.451 399 E N -0.549 119.582 120.200 -0.115 0.000 2.021 399 E HA -0.108 4.242 4.350 -0.000 0.000 0.189 399 E C 1.762 178.297 176.600 -0.108 0.000 0.980 399 E CA 1.324 57.672 56.400 -0.087 0.000 0.803 399 E CB 0.069 29.742 29.700 -0.045 0.000 0.766 399 E HN 0.103 nan 8.360 nan 0.000 0.449 400 V N 1.362 121.211 119.914 -0.109 0.000 3.305 400 V HA -0.030 4.089 4.120 -0.000 0.000 0.269 400 V C 0.962 176.964 176.094 -0.152 0.000 1.157 400 V CA 0.790 63.033 62.300 -0.096 0.000 1.157 400 V CB -0.932 30.865 31.823 -0.044 0.000 0.772 400 V HN 0.199 nan 8.190 nan 0.000 0.498 411 D N 0.071 120.469 120.400 -0.002 0.000 4.704 411 D HA -0.040 4.600 4.640 -0.000 0.000 0.225 411 D C 0.571 176.870 176.300 -0.003 0.000 1.436 411 D CA 0.781 54.779 54.000 -0.003 0.000 1.085 411 D CB -0.091 40.707 40.800 -0.003 0.000 0.518 411 D HN 0.921 nan 8.370 nan 0.000 0.246 412 A N 3.582 126.399 122.820 -0.005 0.000 2.009 412 A HA 0.047 4.367 4.320 -0.000 0.000 0.222 412 A C 2.428 180.009 177.584 -0.006 0.000 1.175 412 A CA 3.164 55.197 52.037 -0.007 0.000 0.651 412 A CB -0.808 18.186 19.000 -0.009 0.000 0.815 412 A HN 1.257 nan 8.150 nan 0.000 0.459 413 A N -0.344 122.474 122.820 -0.004 0.000 1.828 413 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 413 A C 2.496 180.082 177.584 0.003 0.000 1.203 413 A CA 2.880 54.916 52.037 -0.002 0.000 0.614 413 A CB -1.568 17.430 19.000 -0.002 0.000 0.844 413 A HN 0.922 nan 8.150 nan 0.000 0.445 414 T N -2.610 111.948 114.554 0.006 0.000 2.915 414 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 414 T C 1.882 176.595 174.700 0.023 0.000 1.071 414 T CA 1.540 63.649 62.100 0.014 0.000 1.132 414 T CB -0.320 68.553 68.868 0.008 0.000 0.878 414 T HN 0.529 nan 8.240 nan 0.000 0.479 415 Q N 0.662 120.470 119.800 0.013 0.000 2.124 415 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 415 Q C 2.475 178.481 176.000 0.011 0.000 0.977 415 Q CA 1.454 57.264 55.803 0.013 0.000 0.850 415 Q CB -0.184 28.555 28.738 0.003 0.000 0.901 415 Q HN 0.741 nan 8.270 nan 0.000 0.429 416 Q N -0.280 119.522 119.800 0.002 0.000 2.297 416 Q HA -0.097 4.243 4.340 -0.000 0.000 0.204 416 Q C 1.740 177.739 176.000 -0.001 0.000 0.962 416 Q CA 0.547 56.344 55.803 -0.010 0.000 0.879 416 Q CB 0.194 28.922 28.738 -0.018 0.000 0.947 416 Q HN 0.417 nan 8.270 nan 0.000 0.462 417 L N -0.218 121.022 121.223 0.028 0.000 2.127 417 L HA -0.083 4.257 4.340 -0.000 0.000 0.203 417 L C 2.185 179.130 176.870 0.124 0.000 1.080 417 L CA 0.507 55.384 54.840 0.062 0.000 0.768 417 L CB -0.258 41.848 42.059 0.078 0.000 0.924 417 L HN 0.271 nan 8.230 nan 0.000 0.444 418 L N -0.720 120.592 121.223 0.148 0.000 2.201 418 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 418 L C 2.660 179.570 176.870 0.065 0.000 1.105 418 L CA 0.744 55.726 54.840 0.238 0.000 0.775 418 L CB -0.342 41.818 42.059 0.168 0.000 0.913 418 L HN 0.217 nan 8.230 nan 0.000 0.440 419 S N -0.650 115.050 115.700 0.000 0.000 2.345 419 S HA -0.095 4.375 4.470 -0.000 0.000 0.220 419 S C 2.068 176.593 174.600 -0.125 0.000 1.031 419 S CA 0.730 58.897 58.200 -0.055 0.000 0.996 419 S CB -0.153 63.018 63.200 -0.049 0.000 0.882 419 S HN 0.312 nan 8.310 nan 0.000 0.445 420 R N 1.108 121.533 120.500 -0.126 0.000 2.083 420 R HA -0.053 4.287 4.340 -0.000 0.000 0.237 420 R C 2.596 178.715 176.300 -0.300 0.000 1.137 420 R CA 1.538 57.538 56.100 -0.167 0.000 0.951 420 R CB -1.529 28.702 30.300 -0.116 0.000 0.851 420 R HN 0.513 nan 8.270 nan 0.000 0.434 421 G N 0.916 109.418 108.800 -0.497 0.000 2.553 421 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 421 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 421 G C 1.464 175.756 174.900 -1.014 0.000 1.195 421 G CA 1.824 46.153 45.100 -1.286 0.000 0.779 421 G HN 0.358 nan 8.290 nan 0.000 0.577 422 V N -1.441 118.099 119.914 -0.623 0.000 2.913 422 V HA 0.044 4.164 4.120 -0.000 0.000 0.260 422 V C 2.569 178.551 176.094 -0.187 0.000 1.098 422 V CA 1.639 63.779 62.300 -0.266 0.000 1.121 422 V CB -0.426 31.346 31.823 -0.084 0.000 0.714 422 V HN 0.185 nan 8.190 nan 0.000 0.487 423 R N 0.766 121.139 120.500 -0.210 0.000 2.052 423 R HA 0.270 4.610 4.340 -0.000 0.000 0.224 423 R C 2.378 178.589 176.300 -0.147 0.000 1.149 423 R CA 1.455 57.461 56.100 -0.157 0.000 0.962 423 R CB -1.078 29.123 30.300 -0.166 0.000 0.856 423 R HN 0.499 nan 8.270 nan 0.000 0.433 424 L N 0.815 121.932 121.223 -0.177 0.000 2.081 424 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 424 L C 2.359 179.167 176.870 -0.103 0.000 1.080 424 L CA 1.705 56.464 54.840 -0.135 0.000 0.754 424 L CB -1.076 40.895 42.059 -0.145 0.000 0.893 424 L HN 0.191 nan 8.230 nan 0.000 0.433 425 T N -0.792 113.682 114.554 -0.133 0.000 2.746 425 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 425 T C 1.759 176.441 174.700 -0.029 0.000 1.039 425 T CA 1.253 63.314 62.100 -0.065 0.000 1.142 425 T CB -0.139 68.694 68.868 -0.057 0.000 0.866 425 T HN 0.346 nan 8.240 nan 0.000 0.444 426 E N 0.999 121.175 120.200 -0.040 0.000 2.208 426 E HA 0.055 4.405 4.350 -0.000 0.000 0.193 426 E C 2.285 178.884 176.600 -0.002 0.000 0.988 426 E CA 0.391 56.785 56.400 -0.011 0.000 0.828 426 E CB -0.344 29.349 29.700 -0.011 0.000 0.763 426 E HN 0.472 nan 8.360 nan 0.000 0.478 427 L N 0.377 121.587 121.223 -0.020 0.000 2.017 427 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 427 L C 2.382 179.256 176.870 0.007 0.000 1.073 427 L CA 0.903 55.738 54.840 -0.009 0.000 0.745 427 L CB -0.425 41.615 42.059 -0.033 0.000 0.894 427 L HN 0.103 nan 8.230 nan 0.000 0.432 428 L N -0.402 120.823 121.223 0.004 0.000 2.642 428 L HA -0.108 4.232 4.340 -0.000 0.000 0.236 428 L C 0.870 177.756 176.870 0.027 0.000 1.169 428 L CA 0.475 55.325 54.840 0.017 0.000 0.851 428 L CB -0.607 41.463 42.059 0.017 0.000 0.968 428 L HN 0.150 nan 8.230 nan 0.000 0.453 429 K N 1.161 121.577 120.400 0.027 0.000 2.350 429 K HA 0.231 4.551 4.320 -0.000 0.000 0.279 429 K C -0.146 176.475 176.600 0.036 0.000 1.027 429 K CA 0.181 56.489 56.287 0.035 0.000 0.969 429 K CB 0.907 33.428 32.500 0.034 0.000 0.954 429 K HN 0.031 nan 8.250 nan 0.000 0.474 430 Q N 0.694 120.515 119.800 0.036 0.000 2.418 430 Q HA 0.405 4.745 4.340 -0.000 0.000 0.282 430 Q C -0.693 175.322 176.000 0.024 0.000 1.044 430 Q CA -0.709 55.112 55.803 0.031 0.000 0.813 430 Q CB 1.870 30.624 28.738 0.028 0.000 1.428 430 Q HN 0.750 nan 8.270 nan 0.000 0.402 431 G N 0.694 109.506 108.800 0.020 0.000 2.563 431 G HA2 0.287 4.247 3.960 -0.000 0.000 0.283 431 G HA3 0.287 4.247 3.960 -0.000 0.000 0.283 431 G C -1.049 173.833 174.900 -0.030 0.000 1.309 431 G CA -0.234 44.870 45.100 0.006 0.000 1.022 431 G HN 0.600 nan 8.290 nan 0.000 0.501 432 Q N -1.775 117.977 119.800 -0.081 0.000 2.257 432 Q HA 0.409 4.749 4.340 -0.000 0.000 0.262 432 Q C -0.669 175.247 176.000 -0.141 0.000 0.997 432 Q CA -0.849 54.805 55.803 -0.249 0.000 0.873 432 Q CB 0.909 29.356 28.738 -0.486 0.000 1.312 432 Q HN 0.700 nan 8.270 nan 0.000 0.450 433 Y N 0.410 120.720 120.300 0.016 0.000 4.409 433 Y HA -0.247 4.303 4.550 -0.000 0.000 0.228 433 Y C -0.452 175.452 175.900 0.007 0.000 1.108 433 Y CA 0.466 58.569 58.100 0.006 0.000 1.955 433 Y CB -1.735 36.725 38.460 0.001 0.000 1.615 433 Y HN 0.474 nan 8.280 nan 0.000 0.665 434 S N -0.879 114.894 115.700 0.122 0.000 2.512 434 S HA 0.275 4.745 4.470 -0.000 0.000 0.161 434 S C -2.487 172.143 174.600 0.050 0.000 1.383 434 S CA -0.853 57.394 58.200 0.079 0.000 1.248 434 S CB 0.937 64.177 63.200 0.067 0.000 1.488 434 S HN -0.050 nan 8.310 nan 0.000 0.382 435 P HA 0.125 nan 4.420 nan 0.000 0.265 435 P C -0.087 177.229 177.300 0.026 0.000 1.193 435 P CA 0.294 63.420 63.100 0.042 0.000 0.765 435 P CB 0.385 32.118 31.700 0.056 0.000 0.823 436 M N 1.736 121.352 119.600 0.026 0.000 2.267 436 M HA 0.477 4.957 4.480 -0.000 0.000 0.303 436 M C 0.449 176.755 176.300 0.010 0.000 1.164 436 M CA -0.593 54.715 55.300 0.014 0.000 1.060 436 M CB 0.982 33.595 32.600 0.021 0.000 1.455 436 M HN 0.294 nan 8.290 nan 0.000 0.483 437 A N 0.927 123.741 122.820 -0.010 0.000 2.310 437 A HA 0.333 4.653 4.320 -0.000 0.000 0.299 437 A C 0.633 178.228 177.584 0.019 0.000 1.147 437 A CA -0.579 51.448 52.037 -0.017 0.000 0.818 437 A CB 0.263 19.225 19.000 -0.064 0.000 1.096 437 A HN 0.911 nan 8.150 nan 0.000 0.495 438 I N 1.258 121.862 120.570 0.056 0.000 2.300 438 I HA -0.264 3.906 4.170 -0.000 0.000 0.252 438 I C 2.272 178.405 176.117 0.026 0.000 1.119 438 I CA 2.553 63.885 61.300 0.053 0.000 1.384 438 I CB -0.148 37.898 38.000 0.077 0.000 1.062 438 I HN 0.826 nan 8.210 nan 0.000 0.426 439 E N 0.146 120.352 120.200 0.010 0.000 2.158 439 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 439 E C 1.787 178.382 176.600 -0.008 0.000 0.982 439 E CA 1.249 57.645 56.400 -0.008 0.000 0.823 439 E CB -0.678 29.008 29.700 -0.023 0.000 0.766 439 E HN 0.655 nan 8.360 nan 0.000 0.468 440 E N 1.163 121.360 120.200 -0.006 0.000 2.106 440 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 440 E C 2.301 178.924 176.600 0.038 0.000 0.984 440 E CA 1.077 57.478 56.400 0.002 0.000 0.806 440 E CB -0.061 29.633 29.700 -0.010 0.000 0.750 440 E HN 0.359 nan 8.360 nan 0.000 0.458 441 Q N 0.447 120.268 119.800 0.034 0.000 1.975 441 Q HA -0.179 4.160 4.340 -0.000 0.000 0.205 441 Q C 2.620 178.653 176.000 0.054 0.000 0.990 441 Q CA 2.156 57.985 55.803 0.043 0.000 0.845 441 Q CB -0.526 28.234 28.738 0.036 0.000 0.913 441 Q HN 0.348 nan 8.270 nan 0.000 0.420 442 V N -1.257 118.683 119.914 0.043 0.000 2.527 442 V HA -0.268 3.852 4.120 -0.000 0.000 0.255 442 V C 2.029 178.177 176.094 0.091 0.000 1.081 442 V CA 1.858 64.189 62.300 0.052 0.000 1.092 442 V CB -1.299 30.532 31.823 0.014 0.000 0.673 442 V HN 0.351 nan 8.190 nan 0.000 0.470 443 A N 1.434 124.306 122.820 0.087 0.000 1.854 443 A HA -0.013 4.307 4.320 -0.000 0.000 0.214 443 A C 2.471 180.190 177.584 0.226 0.000 1.192 443 A CA 2.422 54.556 52.037 0.162 0.000 0.611 443 A CB -0.942 18.136 19.000 0.129 0.000 0.832 443 A HN 1.121 nan 8.150 nan 0.000 0.442 444 V N -1.305 118.715 119.914 0.176 0.000 2.343 444 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 444 V C 2.167 178.250 176.094 -0.017 0.000 1.051 444 V CA 1.781 64.123 62.300 0.070 0.000 1.036 444 V CB -0.989 30.886 31.823 0.087 0.000 0.654 444 V HN 0.406 nan 8.190 nan 0.000 0.451 445 I N -0.120 120.469 120.570 0.032 0.000 2.142 445 I HA -0.185 3.985 4.170 -0.000 0.000 0.240 445 I C 2.600 178.725 176.117 0.013 0.000 1.078 445 I CA 2.266 63.574 61.300 0.014 0.000 1.343 445 I CB -1.632 36.391 38.000 0.039 0.000 1.046 445 I HN 0.465 nan 8.210 nan 0.000 0.405 446 Y N 2.250 122.515 120.300 -0.058 0.000 2.172 446 Y HA -0.359 4.191 4.550 -0.000 0.000 0.280 446 Y C 2.496 178.331 175.900 -0.109 0.000 1.209 446 Y CA 1.646 59.706 58.100 -0.068 0.000 1.171 446 Y CB -0.561 37.858 38.460 -0.068 0.000 0.965 446 Y HN 0.167 nan 8.280 nan 0.000 0.520 447 A N 0.027 122.676 122.820 -0.285 0.000 1.824 447 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 447 A C 2.654 180.087 177.584 -0.250 0.000 1.209 447 A CA 2.019 53.810 52.037 -0.410 0.000 0.614 447 A CB -1.743 16.976 19.000 -0.468 0.000 0.852 447 A HN 0.575 nan 8.150 nan 0.000 0.447 448 G N -0.805 107.878 108.800 -0.196 0.000 2.503 448 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.221 448 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.221 448 G C 1.468 176.294 174.900 -0.124 0.000 1.131 448 G CA 1.637 46.647 45.100 -0.151 0.000 0.756 448 G HN 0.392 nan 8.290 nan 0.000 0.572 449 V N 0.598 120.443 119.914 -0.116 0.000 2.323 449 V HA -0.063 4.057 4.120 -0.000 0.000 0.244 449 V C 2.861 178.901 176.094 -0.091 0.000 1.041 449 V CA 1.558 63.808 62.300 -0.084 0.000 1.025 449 V CB -0.377 31.423 31.823 -0.039 0.000 0.656 449 V HN 0.199 nan 8.190 nan 0.000 0.451 450 R N 0.292 120.707 120.500 -0.140 0.000 2.189 450 R HA 0.070 4.410 4.340 -0.000 0.000 0.218 450 R C 1.784 178.039 176.300 -0.076 0.000 1.074 450 R CA 0.937 56.993 56.100 -0.073 0.000 0.991 450 R CB -0.698 29.564 30.300 -0.063 0.000 0.883 450 R HN 0.679 nan 8.270 nan 0.000 0.457 451 G N -0.427 108.331 108.800 -0.070 0.000 2.168 451 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.197 451 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.197 451 G C -0.131 174.640 174.900 -0.214 0.000 0.997 451 G CA -0.264 44.740 45.100 -0.161 0.000 0.658 451 G HN 0.297 nan 8.290 nan 0.000 0.513 452 Y N 0.633 120.788 120.300 -0.242 0.000 2.685 452 Y HA 0.534 5.084 4.550 -0.000 0.000 0.365 452 Y C 1.907 177.604 175.900 -0.339 0.000 1.113 452 Y CA 0.392 58.352 58.100 -0.234 0.000 1.470 452 Y CB -0.156 38.180 38.460 -0.207 0.000 1.361 452 Y HN 0.352 nan 8.280 nan 0.000 0.490 453 L N -1.758 119.338 121.223 -0.211 0.000 3.500 453 L HA 0.076 4.416 4.340 -0.000 0.000 0.320 453 L C 1.038 177.783 176.870 -0.209 0.000 1.205 453 L CA 0.055 54.715 54.840 -0.300 0.000 1.117 453 L CB 0.439 42.310 42.059 -0.314 0.000 1.542 453 L HN 0.076 nan 8.230 nan 0.000 0.622 454 D N 1.685 121.981 120.400 -0.173 0.000 2.103 454 D HA -0.268 4.372 4.640 -0.000 0.000 0.190 454 D C 1.787 178.020 176.300 -0.112 0.000 0.997 454 D CA 1.610 55.529 54.000 -0.135 0.000 0.833 454 D CB 0.132 40.853 40.800 -0.131 0.000 0.961 454 D HN 0.206 nan 8.370 nan 0.000 0.447 455 K N -0.223 120.111 120.400 -0.110 0.000 2.439 455 K HA -0.063 4.257 4.320 -0.000 0.000 0.197 455 K C 0.696 177.259 176.600 -0.062 0.000 1.041 455 K CA -0.125 56.117 56.287 -0.075 0.000 0.970 455 K CB 0.009 32.472 32.500 -0.062 0.000 0.773 455 K HN -0.069 nan 8.250 nan 0.000 0.479 456 L N 1.734 122.897 121.223 -0.100 0.000 2.466 456 L HA 0.123 4.463 4.340 -0.000 0.000 0.257 456 L C -0.294 176.546 176.870 -0.050 0.000 1.189 456 L CA 0.271 55.065 54.840 -0.077 0.000 0.813 456 L CB 1.174 43.113 42.059 -0.201 0.000 1.118 456 L HN 0.070 nan 8.230 nan 0.000 0.471 457 E N 3.240 123.440 120.200 0.000 0.000 2.204 457 E HA 0.218 4.568 4.350 -0.000 0.000 0.276 457 E C -1.840 174.766 176.600 0.010 0.000 0.974 457 E CA -1.586 54.817 56.400 0.005 0.000 0.815 457 E CB 1.183 30.898 29.700 0.025 0.000 1.119 457 E HN 0.457 nan 8.360 nan 0.000 0.393 458 P HA -0.315 nan 4.420 nan 0.000 0.214 458 P C 1.527 178.845 177.300 0.031 0.000 1.164 458 P CA 1.662 64.763 63.100 0.001 0.000 0.942 458 P CB 0.001 31.702 31.700 0.001 0.000 0.791 459 S N -1.593 114.130 115.700 0.039 0.000 2.448 459 S HA -0.245 4.225 4.470 -0.000 0.000 0.247 459 S C 1.645 176.299 174.600 0.089 0.000 1.033 459 S CA 1.569 59.801 58.200 0.054 0.000 1.003 459 S CB -0.689 62.538 63.200 0.045 0.000 0.786 459 S HN 0.017 nan 8.310 nan 0.000 0.495 460 K N 0.220 120.690 120.400 0.118 0.000 2.335 460 K HA 0.274 4.593 4.320 -0.000 0.000 0.195 460 K C 1.915 178.662 176.600 0.244 0.000 1.058 460 K CA 0.101 56.519 56.287 0.217 0.000 0.988 460 K CB -0.429 32.248 32.500 0.294 0.000 0.880 460 K HN 0.345 nan 8.250 nan 0.000 0.513 461 I N 1.866 122.508 120.570 0.120 0.000 2.229 461 I HA -0.305 3.865 4.170 -0.000 0.000 0.250 461 I C 1.835 178.048 176.117 0.160 0.000 1.096 461 I CA 1.691 63.032 61.300 0.070 0.000 1.358 461 I CB -1.305 36.681 38.000 -0.023 0.000 1.047 461 I HN 0.126 nan 8.210 nan 0.000 0.422 462 T N 0.107 114.745 114.554 0.141 0.000 2.812 462 T HA -0.162 4.188 4.350 -0.000 0.000 0.264 462 T C 1.970 176.779 174.700 0.182 0.000 1.042 462 T CA 1.240 63.421 62.100 0.134 0.000 1.140 462 T CB -0.052 68.874 68.868 0.096 0.000 0.870 462 T HN 0.334 nan 8.240 nan 0.000 0.445 463 K N 0.187 120.729 120.400 0.237 0.000 2.148 463 K HA -0.069 4.251 4.320 -0.000 0.000 0.204 463 K C 2.044 178.887 176.600 0.405 0.000 1.050 463 K CA 0.980 57.443 56.287 0.293 0.000 0.942 463 K CB -0.259 32.430 32.500 0.315 0.000 0.724 463 K HN 0.356 nan 8.250 nan 0.000 0.446 464 F N 2.010 122.091 119.950 0.219 0.000 2.146 464 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 464 F C 2.211 178.016 175.800 0.009 0.000 1.096 464 F CA 1.497 59.419 58.000 -0.130 0.000 1.275 464 F CB -0.098 38.609 39.000 -0.488 0.000 1.008 464 F HN 0.127 nan 8.300 nan 0.000 0.480 465 E N 0.481 120.786 120.200 0.176 0.000 2.012 465 E HA -0.299 4.051 4.350 -0.000 0.000 0.197 465 E C 1.890 178.516 176.600 0.044 0.000 1.007 465 E CA 1.906 58.365 56.400 0.098 0.000 0.816 465 E CB -0.361 29.413 29.700 0.123 0.000 0.762 465 E HN 0.444 nan 8.360 nan 0.000 0.451 466 N N 0.265 119.013 118.700 0.079 0.000 2.132 466 N HA -0.230 4.510 4.740 -0.000 0.000 0.191 466 N C 1.500 177.046 175.510 0.060 0.000 1.015 466 N CA 1.735 54.827 53.050 0.070 0.000 0.864 466 N CB -0.273 38.268 38.487 0.089 0.000 1.006 466 N HN 0.269 nan 8.380 nan 0.000 0.430 467 A N -0.151 122.725 122.820 0.093 0.000 1.872 467 A HA -0.034 4.286 4.320 -0.000 0.000 0.214 467 A C 2.045 179.647 177.584 0.030 0.000 1.187 467 A CA 0.798 52.938 52.037 0.172 0.000 0.614 467 A CB -0.920 18.313 19.000 0.388 0.000 0.826 467 A HN 0.343 nan 8.150 nan 0.000 0.442 468 F N 0.232 119.853 119.950 -0.547 0.000 2.134 468 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 468 F C 1.836 177.314 175.800 -0.537 0.000 1.097 468 F CA 1.820 59.099 58.000 -1.202 0.000 1.264 468 F CB -0.196 37.954 39.000 -1.417 0.000 1.001 468 F HN 0.204 nan 8.300 nan 0.000 0.479 469 L N 0.506 121.588 121.223 -0.235 0.000 2.056 469 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 469 L C 2.684 179.439 176.870 -0.192 0.000 1.078 469 L CA 2.205 56.934 54.840 -0.186 0.000 0.749 469 L CB -1.210 40.845 42.059 -0.006 0.000 0.901 469 L HN 0.328 nan 8.230 nan 0.000 0.433 470 S N -2.155 113.485 115.700 -0.099 0.000 2.447 470 S HA -0.251 4.219 4.470 -0.000 0.000 0.233 470 S C 2.100 176.677 174.600 -0.038 0.000 1.006 470 S CA 1.117 59.290 58.200 -0.045 0.000 0.957 470 S CB -1.014 62.194 63.200 0.014 0.000 0.773 470 S HN 0.733 nan 8.310 nan 0.000 0.507 471 H N 1.662 120.611 119.070 -0.201 0.000 2.317 471 H HA -0.042 4.514 4.556 -0.000 0.000 0.304 471 H C 2.355 177.562 175.328 -0.203 0.000 1.067 471 H CA 1.904 57.855 56.048 -0.160 0.000 1.352 471 H CB -0.102 29.564 29.762 -0.160 0.000 1.398 471 H HN 0.406 nan 8.280 nan 0.000 0.510 472 V N -0.142 119.412 119.914 -0.601 0.000 2.343 472 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 472 V C 2.596 178.531 176.094 -0.265 0.000 1.051 472 V CA 1.735 63.710 62.300 -0.542 0.000 1.036 472 V CB -1.036 30.414 31.823 -0.623 0.000 0.654 472 V HN 0.343 nan 8.190 nan 0.000 0.451 473 I N 0.859 121.300 120.570 -0.215 0.000 2.091 473 I HA -0.282 3.888 4.170 -0.000 0.000 0.239 473 I C 2.971 179.020 176.117 -0.114 0.000 1.061 473 I CA 2.370 63.590 61.300 -0.132 0.000 1.317 473 I CB -0.604 37.337 38.000 -0.099 0.000 1.031 473 I HN 0.498 nan 8.210 nan 0.000 0.401 474 S N 0.134 115.768 115.700 -0.110 0.000 2.344 474 S HA -0.197 4.273 4.470 -0.000 0.000 0.217 474 S C 1.804 176.325 174.600 -0.132 0.000 1.033 474 S CA 1.297 59.442 58.200 -0.091 0.000 1.017 474 S CB -0.106 63.067 63.200 -0.045 0.000 0.941 474 S HN 0.364 nan 8.310 nan 0.000 0.430 475 Q N 0.157 119.846 119.800 -0.186 0.000 2.415 475 Q HA 0.117 4.457 4.340 -0.000 0.000 0.206 475 Q C -0.312 175.305 176.000 -0.638 0.000 0.946 475 Q CA 0.566 56.173 55.803 -0.326 0.000 0.951 475 Q CB -0.119 28.440 28.738 -0.298 0.000 1.026 475 Q HN 0.722 nan 8.270 nan 0.000 0.510 476 H N -0.919 118.021 119.070 -0.217 0.000 2.947 476 H HA 0.188 4.744 4.556 -0.000 0.000 0.222 476 H C 0.719 175.962 175.328 -0.142 0.000 1.414 476 H CA -0.170 55.771 56.048 -0.178 0.000 1.224 476 H CB 0.600 30.230 29.762 -0.220 0.000 2.100 476 H HN -0.108 nan 8.280 nan 0.000 0.524 477 Q N 0.566 120.326 119.800 -0.067 0.000 2.170 477 Q HA -0.080 4.260 4.340 -0.000 0.000 0.203 477 Q C 2.196 178.170 176.000 -0.044 0.000 0.976 477 Q CA 1.258 57.026 55.803 -0.059 0.000 0.858 477 Q CB 0.047 28.744 28.738 -0.068 0.000 0.907 477 Q HN 0.654 nan 8.270 nan 0.000 0.433 478 A N 1.342 124.139 122.820 -0.038 0.000 1.835 478 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 478 A C 2.040 179.612 177.584 -0.020 0.000 1.199 478 A CA 1.326 53.346 52.037 -0.028 0.000 0.615 478 A CB -0.957 18.028 19.000 -0.024 0.000 0.838 478 A HN 0.377 nan 8.150 nan 0.000 0.444 479 L N 0.013 121.234 121.223 -0.002 0.000 2.021 479 L HA -0.198 4.142 4.340 -0.000 0.000 0.215 479 L C 2.429 179.271 176.870 -0.045 0.000 1.074 479 L CA 2.175 57.001 54.840 -0.024 0.000 0.760 479 L CB -1.057 40.985 42.059 -0.027 0.000 0.889 479 L HN 0.494 nan 8.230 nan 0.000 0.433 480 L N -0.583 120.613 121.223 -0.045 0.000 2.046 480 L HA -0.145 4.194 4.340 -0.000 0.000 0.208 480 L C 2.642 179.486 176.870 -0.044 0.000 1.077 480 L CA 1.259 56.068 54.840 -0.053 0.000 0.747 480 L CB -1.175 40.848 42.059 -0.059 0.000 0.896 480 L HN 0.382 nan 8.230 nan 0.000 0.432 481 G N -0.018 108.757 108.800 -0.041 0.000 2.422 481 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 481 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 481 G C 1.692 176.574 174.900 -0.030 0.000 1.146 481 G CA 0.440 45.519 45.100 -0.036 0.000 0.769 481 G HN 0.312 nan 8.290 nan 0.000 0.547 482 K N -0.248 120.133 120.400 -0.031 0.000 2.148 482 K HA 0.146 4.466 4.320 -0.000 0.000 0.204 482 K C 2.314 178.895 176.600 -0.031 0.000 1.050 482 K CA 0.559 56.828 56.287 -0.029 0.000 0.942 482 K CB -0.097 32.385 32.500 -0.031 0.000 0.724 482 K HN 0.329 nan 8.250 nan 0.000 0.446 483 I N 0.399 120.947 120.570 -0.038 0.000 2.406 483 I HA -0.174 3.996 4.170 -0.000 0.000 0.249 483 I C 2.612 178.716 176.117 -0.022 0.000 1.122 483 I CA 0.671 61.948 61.300 -0.038 0.000 1.431 483 I CB -0.118 37.850 38.000 -0.053 0.000 1.087 483 I HN 0.124 nan 8.210 nan 0.000 0.424 484 R N 0.597 121.086 120.500 -0.019 0.000 2.092 484 R HA -0.139 4.201 4.340 -0.000 0.000 0.231 484 R C 2.100 178.402 176.300 0.003 0.000 1.119 484 R CA 1.858 57.955 56.100 -0.005 0.000 0.970 484 R CB -0.126 30.164 30.300 -0.017 0.000 0.864 484 R HN 0.222 nan 8.270 nan 0.000 0.440 485 T N 0.418 114.968 114.554 -0.007 0.000 2.978 485 T HA -0.025 4.325 4.350 -0.000 0.000 0.262 485 T C 0.593 175.290 174.700 -0.005 0.000 1.063 485 T CA 1.121 63.218 62.100 -0.004 0.000 1.140 485 T CB 0.027 68.889 68.868 -0.010 0.000 0.886 485 T HN 0.279 nan 8.240 nan 0.000 0.470 486 D N 0.228 120.622 120.400 -0.011 0.000 2.360 486 D HA 0.220 4.860 4.640 -0.000 0.000 0.210 486 D C 1.749 178.042 176.300 -0.010 0.000 1.047 486 D CA 0.446 54.439 54.000 -0.012 0.000 0.854 486 D CB -0.338 40.451 40.800 -0.018 0.000 0.936 486 D HN 0.385 nan 8.370 nan 0.000 0.514 487 G N 1.345 110.141 108.800 -0.007 0.000 2.256 487 G HA2 -0.356 3.603 3.960 -0.000 0.000 0.279 487 G HA3 -0.356 3.603 3.960 -0.000 0.000 0.279 487 G C 0.520 175.413 174.900 -0.011 0.000 0.998 487 G CA 1.215 46.313 45.100 -0.004 0.000 0.720 487 G HN 0.445 nan 8.290 nan 0.000 0.521 488 K N -0.605 119.784 120.400 -0.018 0.000 2.435 488 K HA 0.664 4.984 4.320 -0.000 0.000 0.251 488 K C -0.435 176.141 176.600 -0.040 0.000 0.954 488 K CA -1.255 55.018 56.287 -0.023 0.000 0.820 488 K CB 1.112 33.602 32.500 -0.018 0.000 1.292 488 K HN -0.003 nan 8.250 nan 0.000 0.436 489 I N 4.134 124.673 120.570 -0.052 0.000 2.317 489 I HA 0.054 4.224 4.170 -0.000 0.000 0.286 489 I C 0.411 176.485 176.117 -0.072 0.000 1.119 489 I CA -0.429 60.818 61.300 -0.089 0.000 1.228 489 I CB 0.698 38.615 38.000 -0.137 0.000 1.476 489 I HN 0.646 nan 8.210 nan 0.000 0.514 490 S N 2.940 118.607 115.700 -0.055 0.000 2.580 490 S HA 0.031 4.501 4.470 -0.000 0.000 0.261 490 S C 1.100 175.675 174.600 -0.042 0.000 1.366 490 S CA -0.263 57.914 58.200 -0.038 0.000 0.996 490 S CB 0.806 63.989 63.200 -0.029 0.000 0.902 490 S HN 0.591 nan 8.310 nan 0.000 0.566 491 E N 0.207 120.393 120.200 -0.023 0.000 2.204 491 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 491 E C 1.923 178.511 176.600 -0.020 0.000 0.990 491 E CA 1.069 57.459 56.400 -0.015 0.000 0.821 491 E CB -0.082 29.617 29.700 -0.002 0.000 0.750 491 E HN 0.758 nan 8.360 nan 0.000 0.477 492 E N 0.782 120.968 120.200 -0.023 0.000 2.072 492 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 492 E C 1.930 178.507 176.600 -0.038 0.000 0.982 492 E CA 0.900 57.287 56.400 -0.021 0.000 0.803 492 E CB 0.151 29.841 29.700 -0.017 0.000 0.755 492 E HN 0.075 nan 8.360 nan 0.000 0.453 493 S N 1.079 116.743 115.700 -0.059 0.000 2.406 493 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 493 S C 1.505 176.016 174.600 -0.148 0.000 1.020 493 S CA 1.127 59.273 58.200 -0.091 0.000 0.965 493 S CB -0.195 62.946 63.200 -0.098 0.000 0.798 493 S HN 0.294 nan 8.310 nan 0.000 0.488 494 D N 1.876 122.188 120.400 -0.146 0.000 2.077 494 D HA 0.016 4.656 4.640 -0.000 0.000 0.196 494 D C 2.127 178.361 176.300 -0.109 0.000 0.986 494 D CA 1.364 55.241 54.000 -0.205 0.000 0.829 494 D CB -0.441 40.295 40.800 -0.107 0.000 0.983 494 D HN 0.246 nan 8.370 nan 0.000 0.453 495 A N 0.681 123.484 122.820 -0.028 0.000 1.903 495 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 495 A C 2.153 179.745 177.584 0.013 0.000 1.191 495 A CA 2.330 54.379 52.037 0.020 0.000 0.638 495 A CB -0.799 18.214 19.000 0.023 0.000 0.823 495 A HN 0.303 nan 8.150 nan 0.000 0.451 496 K N -1.045 119.343 120.400 -0.020 0.000 2.097 496 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 496 K C 1.828 178.395 176.600 -0.056 0.000 1.049 496 K CA 1.399 57.674 56.287 -0.020 0.000 0.933 496 K CB -0.244 32.244 32.500 -0.020 0.000 0.717 496 K HN 0.335 nan 8.250 nan 0.000 0.442 497 L N 1.810 122.962 121.223 -0.117 0.000 2.275 497 L HA -0.102 4.238 4.340 -0.000 0.000 0.215 497 L C 2.119 179.015 176.870 0.044 0.000 1.119 497 L CA 1.631 56.383 54.840 -0.147 0.000 0.790 497 L CB -0.379 41.434 42.059 -0.409 0.000 0.919 497 L HN 0.122 nan 8.230 nan 0.000 0.443 498 K N -0.515 119.949 120.400 0.106 0.000 2.062 498 K HA -0.213 4.107 4.320 -0.000 0.000 0.205 498 K C 2.038 178.692 176.600 0.091 0.000 1.051 498 K CA 1.431 57.820 56.287 0.170 0.000 0.941 498 K CB -0.118 32.517 32.500 0.225 0.000 0.719 498 K HN 0.483 nan 8.250 nan 0.000 0.440 499 E N 0.947 121.199 120.200 0.087 0.000 2.012 499 E HA -0.215 4.135 4.350 -0.000 0.000 0.197 499 E C 2.004 178.661 176.600 0.095 0.000 1.007 499 E CA 1.815 58.273 56.400 0.097 0.000 0.816 499 E CB -0.209 29.537 29.700 0.077 0.000 0.762 499 E HN 0.374 nan 8.360 nan 0.000 0.451 500 I N 1.264 121.836 120.570 0.002 0.000 2.381 500 I HA -0.291 3.879 4.170 -0.000 0.000 0.255 500 I C 2.532 178.742 176.117 0.155 0.000 1.140 500 I CA 1.304 62.560 61.300 -0.074 0.000 1.404 500 I CB -0.490 37.243 38.000 -0.446 0.000 1.075 500 I HN 0.228 nan 8.210 nan 0.000 0.433 501 V N -3.522 116.504 119.914 0.186 0.000 2.685 501 V HA -0.039 4.081 4.120 -0.000 0.000 0.244 501 V C 2.221 178.501 176.094 0.311 0.000 1.054 501 V CA 1.389 63.867 62.300 0.296 0.000 1.076 501 V CB -0.795 30.959 31.823 -0.116 0.000 0.725 501 V HN 0.243 nan 8.190 nan 0.000 0.467 502 T N 1.733 116.433 114.554 0.242 0.000 2.708 502 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 502 T C 1.550 176.427 174.700 0.294 0.000 1.037 502 T CA 2.306 64.610 62.100 0.341 0.000 1.146 502 T CB -0.746 68.314 68.868 0.320 0.000 0.865 502 T HN 0.659 nan 8.240 nan 0.000 0.435 503 N N 0.029 118.885 118.700 0.260 0.000 2.485 503 N HA 0.126 4.866 4.740 -0.000 0.000 0.199 503 N C 0.748 176.412 175.510 0.257 0.000 1.236 503 N CA -0.017 53.166 53.050 0.222 0.000 0.852 503 N CB 0.014 38.616 38.487 0.190 0.000 1.018 503 N HN 0.323 nan 8.380 nan 0.000 0.457 504 F N 0.235 120.291 119.950 0.177 0.000 2.557 504 F HA 0.189 4.716 4.527 -0.000 0.000 0.278 504 F C 1.704 177.637 175.800 0.221 0.000 1.051 504 F CA -0.095 57.986 58.000 0.135 0.000 1.357 504 F CB 0.059 39.181 39.000 0.204 0.000 1.104 504 F HN -0.117 nan 8.300 nan 0.000 0.654 505 L N 1.004 122.506 121.223 0.465 0.000 2.043 505 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 505 L C 2.677 179.680 176.870 0.222 0.000 1.075 505 L CA 2.067 57.149 54.840 0.404 0.000 0.752 505 L CB -1.895 40.364 42.059 0.333 0.000 0.891 505 L HN 0.356 nan 8.230 nan 0.000 0.432 506 A N -0.135 122.772 122.820 0.145 0.000 1.859 506 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 506 A C 2.047 179.644 177.584 0.022 0.000 1.198 506 A CA 1.830 53.915 52.037 0.080 0.000 0.629 506 A CB -1.233 17.808 19.000 0.068 0.000 0.830 506 A HN 0.452 nan 8.150 nan 0.000 0.446 507 G N -1.937 106.826 108.800 -0.062 0.000 3.332 507 G HA2 0.323 4.283 3.960 -0.000 0.000 0.242 507 G HA3 0.323 4.283 3.960 -0.000 0.000 0.242 507 G C -0.043 174.743 174.900 -0.190 0.000 1.276 507 G CA -0.267 44.751 45.100 -0.137 0.000 0.988 507 G HN 0.282 nan 8.290 nan 0.000 0.517 508 F N 0.983 120.774 119.950 -0.265 0.000 2.411 508 F HA 0.503 5.029 4.527 -0.000 0.000 0.350 508 F C 0.106 175.865 175.800 -0.067 0.000 1.114 508 F CA -2.252 55.621 58.000 -0.211 0.000 1.135 508 F CB 1.603 40.600 39.000 -0.005 0.000 1.120 508 F HN 0.022 nan 8.300 nan 0.000 0.495 509 E N 5.627 125.407 120.200 -0.700 0.000 1.893 509 E HA 0.467 4.817 4.350 -0.000 0.000 0.269 509 E C 0.166 176.313 176.600 -0.755 0.000 1.129 509 E CA -0.252 55.816 56.400 -0.553 0.000 0.904 509 E CB 0.101 29.601 29.700 -0.333 0.000 1.077 509 E HN 0.786 nan 8.360 nan 0.000 0.407 510 A N 0.000 122.499 122.820 -0.536 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 51.847 52.037 -0.316 0.000 0.836 510 A CB 0.000 18.939 19.000 -0.103 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486