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 2i5k_1_A DATA FIRST_RESID 22 DATA SEQUENCE VAASQMRNAL NKLAXXXXXX XXARAKFENE LDSFFTLFRR YLVEKSSRTT DATA SEQUENCE LEWDKIKSPN PDEVVKYEII SQQPENVSNL SKLAVLKLNG GLGTSMGCVG DATA SEQUENCE PKSVIEVREG NTFLDLSVRQ IEYLNRQYDS DVPLLLMNSF NTDKDTEHLI DATA SEQUENCE KKYSANRIRI RSFNQSRFPR VYKDSLLPVP TEYDSPLDAW YPPGHGDLFE DATA SEQUENCE SLHVSGELDA LIAQGREILF VSNGDNLGAT VDLKILNHMI ETGAEYIMEL DATA SEQUENCE TDKTRADVKG GTLISYDGQV RLLEVAQVPK EHIDEFKNIR KFTNFNTNNL DATA SEQUENCE WINLKAVKRL IESSNLEMEI IPNQKTITRX XXXXNVLQLE TACGAAIRHF DATA SEQUENCE DGAHGVVVPR SRFLPVKTCS DLLLVKSDLF RLEHGSLKLD PSRFGPNPLI DATA SEQUENCE KLGSHFKKVS GFNARIPHIP KIVELDHLTI TGNVFLGKDV TLRGTVIIVC DATA SEQUENCE SDGHKIDIPN GSILENVVVT GNLQILEH 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 22 V HA 0.000 nan 4.120 nan 0.000 0.244 22 V C 0.000 176.111 176.094 0.029 0.000 1.182 22 V CA 0.000 62.314 62.300 0.023 0.000 1.235 22 V CB 0.000 31.835 31.823 0.021 0.000 1.184 23 A N 0.782 123.623 122.820 0.035 0.000 2.125 23 A HA 0.350 4.670 4.320 -0.001 0.000 0.219 23 A C 2.279 179.890 177.584 0.045 0.000 1.156 23 A CA 2.754 54.817 52.037 0.044 0.000 0.671 23 A CB -0.491 18.542 19.000 0.055 0.000 0.794 23 A HN 1.967 nan 8.150 nan 0.000 0.459 24 A N -0.149 122.693 122.820 0.037 0.000 1.825 24 A HA 0.137 4.457 4.320 -0.001 0.000 0.214 24 A C 2.585 180.190 177.584 0.035 0.000 1.206 24 A CA 2.258 54.314 52.037 0.033 0.000 0.609 24 A CB -1.338 17.677 19.000 0.024 0.000 0.851 24 A HN 0.913 nan 8.150 nan 0.000 0.445 25 S N -1.302 114.416 115.700 0.030 0.000 2.442 25 S HA 0.034 4.504 4.470 -0.001 0.000 0.236 25 S C 2.148 176.768 174.600 0.033 0.000 1.007 25 S CA 2.130 60.347 58.200 0.029 0.000 0.965 25 S CB -0.743 62.470 63.200 0.022 0.000 0.773 25 S HN 0.908 nan 8.310 nan 0.000 0.504 26 Q N -0.710 119.111 119.800 0.036 0.000 2.119 26 Q HA 0.212 4.551 4.340 -0.001 0.000 0.201 26 Q C 2.593 178.624 176.000 0.051 0.000 0.972 26 Q CA 2.630 58.457 55.803 0.039 0.000 0.847 26 Q CB -1.530 27.231 28.738 0.038 0.000 0.903 26 Q HN 1.046 nan 8.270 nan 0.000 0.433 27 M N 0.603 120.242 119.600 0.064 0.000 2.123 27 M HA 0.236 4.715 4.480 -0.001 0.000 0.263 27 M C 2.589 178.944 176.300 0.092 0.000 1.069 27 M CA 2.715 58.072 55.300 0.095 0.000 1.133 27 M CB -1.748 30.920 32.600 0.114 0.000 1.356 27 M HN 0.843 nan 8.290 nan 0.000 0.415 28 R N 1.026 121.568 120.500 0.069 0.000 2.115 28 R HA 0.025 4.365 4.340 -0.001 0.000 0.226 28 R C 2.081 178.408 176.300 0.046 0.000 1.100 28 R CA 2.484 58.619 56.100 0.059 0.000 0.980 28 R CB -2.528 27.798 30.300 0.042 0.000 0.875 28 R HN 1.028 nan 8.270 nan 0.000 0.445 29 N N 0.654 119.377 118.700 0.040 0.000 2.173 29 N HA 0.192 4.932 4.740 -0.001 0.000 0.184 29 N C 2.456 177.985 175.510 0.032 0.000 1.025 29 N CA 1.614 54.682 53.050 0.031 0.000 0.852 29 N CB -0.600 37.902 38.487 0.025 0.000 0.998 29 N HN 0.732 nan 8.380 nan 0.000 0.427 30 A N 0.170 123.012 122.820 0.036 0.000 2.015 30 A HA 0.366 4.686 4.320 -0.001 0.000 0.219 30 A C 2.708 180.313 177.584 0.035 0.000 1.163 30 A CA 2.000 54.056 52.037 0.032 0.000 0.646 30 A CB -0.863 18.156 19.000 0.033 0.000 0.806 30 A HN 1.204 nan 8.150 nan 0.000 0.448 31 L N -0.941 120.312 121.223 0.050 0.000 2.376 31 L HA 0.078 4.418 4.340 -0.001 0.000 0.219 31 L C 2.237 179.130 176.870 0.038 0.000 1.133 31 L CA 2.183 57.053 54.840 0.050 0.000 0.816 31 L CB -2.679 39.429 42.059 0.082 0.000 0.933 31 L HN 0.803 nan 8.230 nan 0.000 0.449 32 N N 0.259 118.979 118.700 0.034 0.000 2.461 32 N HA 0.288 5.027 4.740 -0.001 0.000 0.188 32 N C 1.179 176.705 175.510 0.027 0.000 1.134 32 N CA 0.862 53.928 53.050 0.027 0.000 0.878 32 N CB -0.555 37.946 38.487 0.024 0.000 0.972 32 N HN 0.974 nan 8.380 nan 0.000 0.456 33 K N 0.805 121.222 120.400 0.028 0.000 2.297 33 K HA 0.678 4.998 4.320 -0.001 0.000 0.286 33 K C -0.269 176.356 176.600 0.041 0.000 1.053 33 K CA -0.316 55.987 56.287 0.027 0.000 0.940 33 K CB -0.151 32.360 32.500 0.018 0.000 1.019 33 K HN 0.487 nan 8.250 nan 0.000 0.475 34 L N 1.123 122.374 121.223 0.046 0.000 2.334 34 L HA 0.884 5.223 4.340 -0.001 0.000 0.273 34 L C 0.356 177.275 176.870 0.082 0.000 1.013 34 L CA -0.829 54.054 54.840 0.071 0.000 0.816 34 L CB 2.166 44.257 42.059 0.055 0.000 1.278 34 L HN 0.970 nan 8.230 nan 0.000 0.431 45 R N 0.218 120.671 120.500 -0.079 0.000 2.225 45 R HA 0.798 5.138 4.340 -0.001 0.000 0.194 45 R C 0.986 177.256 176.300 -0.050 0.000 0.949 45 R CA 1.891 57.958 56.100 -0.055 0.000 1.088 45 R CB -0.514 29.759 30.300 -0.045 0.000 1.106 45 R HN 2.495 nan 8.270 nan 0.000 0.566 46 A N 1.429 124.215 122.820 -0.057 0.000 2.260 46 A HA 0.610 4.929 4.320 -0.001 0.000 0.314 46 A C 0.245 177.794 177.584 -0.059 0.000 1.257 46 A CA -0.023 51.983 52.037 -0.052 0.000 0.871 46 A CB 0.361 19.331 19.000 -0.050 0.000 1.166 46 A HN 0.810 nan 8.150 nan 0.000 0.522 47 K N 1.269 121.639 120.400 -0.049 0.000 2.294 47 K HA 0.451 4.770 4.320 -0.001 0.000 0.288 47 K C 0.554 177.120 176.600 -0.056 0.000 1.072 47 K CA 0.304 56.563 56.287 -0.048 0.000 0.960 47 K CB -1.215 31.264 32.500 -0.035 0.000 1.043 47 K HN 1.758 nan 8.250 nan 0.000 0.455 48 F N 1.465 121.373 119.950 -0.070 0.000 2.738 48 F HA 0.242 4.769 4.527 -0.001 0.000 0.301 48 F C 1.969 177.712 175.800 -0.095 0.000 1.269 48 F CA 1.183 59.127 58.000 -0.094 0.000 1.441 48 F CB -1.791 37.132 39.000 -0.127 0.000 1.101 48 F HN 0.891 nan 8.300 nan 0.000 0.545 49 E N 0.144 120.306 120.200 -0.065 0.000 2.152 49 E HA -0.130 4.220 4.350 -0.001 0.000 0.192 49 E C 1.908 178.476 176.600 -0.053 0.000 0.983 49 E CA 1.187 57.555 56.400 -0.053 0.000 0.818 49 E CB -1.925 27.757 29.700 -0.030 0.000 0.758 49 E HN 0.910 nan 8.360 nan 0.000 0.467 50 N N 0.621 119.294 118.700 -0.045 0.000 2.430 50 N HA -0.199 4.541 4.740 -0.001 0.000 0.186 50 N C 1.967 177.458 175.510 -0.033 0.000 1.032 50 N CA 1.620 54.653 53.050 -0.029 0.000 0.893 50 N CB -0.333 38.138 38.487 -0.026 0.000 0.957 50 N HN 0.733 nan 8.380 nan 0.000 0.442 51 E N -1.075 119.080 120.200 -0.076 0.000 2.099 51 E HA 0.226 4.576 4.350 -0.001 0.000 0.191 51 E C 2.794 179.225 176.600 -0.282 0.000 0.962 51 E CA 0.836 57.155 56.400 -0.135 0.000 0.826 51 E CB -0.213 29.413 29.700 -0.124 0.000 0.788 51 E HN 0.521 nan 8.360 nan 0.000 0.461 52 L N 1.128 122.214 121.223 -0.228 0.000 2.187 52 L HA -0.213 4.127 4.340 -0.001 0.000 0.213 52 L C 2.086 178.934 176.870 -0.037 0.000 1.100 52 L CA 3.033 57.764 54.840 -0.181 0.000 0.765 52 L CB -2.285 39.705 42.059 -0.115 0.000 0.904 52 L HN 0.384 nan 8.230 nan 0.000 0.437 53 D N -2.389 117.986 120.400 -0.040 0.000 2.162 53 D HA -0.084 4.556 4.640 -0.001 0.000 0.205 53 D C 2.528 178.826 176.300 -0.004 0.000 0.964 53 D CA 1.430 55.429 54.000 -0.001 0.000 0.847 53 D CB -0.461 40.338 40.800 -0.002 0.000 0.988 53 D HN 0.627 nan 8.370 nan 0.000 0.480 54 S N -1.245 114.442 115.700 -0.022 0.000 2.400 54 S HA -0.085 4.385 4.470 -0.001 0.000 0.232 54 S C 1.803 176.411 174.600 0.013 0.000 1.025 54 S CA 1.555 59.775 58.200 0.033 0.000 0.993 54 S CB -0.642 62.625 63.200 0.111 0.000 0.808 54 S HN 0.535 nan 8.310 nan 0.000 0.478 55 F N 2.199 121.909 119.950 -0.400 0.000 2.075 55 F HA -0.030 4.497 4.527 0.000 0.000 0.297 55 F C 2.523 178.274 175.800 -0.083 0.000 1.113 55 F CA 2.202 59.956 58.000 -0.409 0.000 1.218 55 F CB -1.176 37.429 39.000 -0.659 0.000 0.984 55 F HN 0.279 nan 8.300 nan 0.000 0.472 56 F N 0.289 120.190 119.950 -0.083 0.000 2.192 56 F HA -0.217 4.309 4.527 -0.001 0.000 0.301 56 F C 2.380 178.097 175.800 -0.139 0.000 1.079 56 F CA 2.237 60.161 58.000 -0.127 0.000 1.303 56 F CB -2.010 37.002 39.000 0.020 0.000 1.024 56 F HN 0.198 nan 8.300 nan 0.000 0.494 57 T N 0.103 114.614 114.554 -0.071 0.000 2.746 57 T HA -0.021 4.329 4.350 -0.001 0.000 0.267 57 T C 2.481 177.163 174.700 -0.030 0.000 1.039 57 T CA 2.218 64.303 62.100 -0.024 0.000 1.142 57 T CB -1.230 67.651 68.868 0.023 0.000 0.866 57 T HN 0.999 nan 8.240 nan 0.000 0.444 58 L N 0.709 121.900 121.223 -0.054 0.000 2.068 58 L HA 0.422 4.761 4.340 -0.001 0.000 0.204 58 L C 2.975 179.781 176.870 -0.107 0.000 1.076 58 L CA 2.302 57.129 54.840 -0.021 0.000 0.753 58 L CB -2.276 39.835 42.059 0.086 0.000 0.910 58 L HN 0.545 nan 8.230 nan 0.000 0.439 59 F N 0.388 120.100 119.950 -0.397 0.000 2.202 59 F HA 0.012 4.539 4.527 -0.001 0.000 0.301 59 F C 2.957 178.695 175.800 -0.103 0.000 1.082 59 F CA 3.952 61.708 58.000 -0.407 0.000 1.313 59 F CB -1.420 37.072 39.000 -0.847 0.000 1.024 59 F HN 0.661 nan 8.300 nan 0.000 0.495 60 R N 0.036 120.486 120.500 -0.084 0.000 2.056 60 R HA -0.037 4.303 4.340 -0.001 0.000 0.227 60 R C 2.369 178.691 176.300 0.035 0.000 1.149 60 R CA 1.383 57.480 56.100 -0.005 0.000 0.937 60 R CB -1.653 28.639 30.300 -0.013 0.000 0.835 60 R HN 0.662 nan 8.270 nan 0.000 0.430 61 R N -1.182 119.334 120.500 0.028 0.000 2.165 61 R HA -0.263 4.077 4.340 -0.001 0.000 0.254 61 R C 2.174 178.511 176.300 0.061 0.000 1.153 61 R CA 2.456 58.581 56.100 0.041 0.000 0.971 61 R CB -0.733 29.595 30.300 0.048 0.000 0.878 61 R HN 0.680 nan 8.270 nan 0.000 0.449 62 Y N 0.878 121.163 120.300 -0.024 0.000 2.053 62 Y HA -0.321 4.229 4.550 -0.000 0.000 0.277 62 Y C 2.151 178.049 175.900 -0.004 0.000 1.159 62 Y CA 2.184 60.278 58.100 -0.010 0.000 1.125 62 Y CB -0.614 37.836 38.460 -0.015 0.000 0.969 62 Y HN 0.190 nan 8.280 nan 0.000 0.492 63 L N -0.491 120.804 121.223 0.119 0.000 2.021 63 L HA -0.251 4.089 4.340 -0.001 0.000 0.215 63 L C 2.276 179.118 176.870 -0.047 0.000 1.074 63 L CA 2.069 56.932 54.840 0.037 0.000 0.760 63 L CB -0.934 41.168 42.059 0.071 0.000 0.889 63 L HN 0.200 nan 8.230 nan 0.000 0.433 64 V N -0.329 119.568 119.914 -0.030 0.000 2.287 64 V HA -0.328 3.791 4.120 -0.001 0.000 0.248 64 V C 2.483 178.536 176.094 -0.069 0.000 1.053 64 V CA 2.365 64.644 62.300 -0.035 0.000 1.027 64 V CB -0.724 31.091 31.823 -0.015 0.000 0.646 64 V HN 0.537 nan 8.190 nan 0.000 0.447 65 E N -0.053 120.082 120.200 -0.108 0.000 2.112 65 E HA -0.209 4.141 4.350 -0.001 0.000 0.190 65 E C 2.144 178.620 176.600 -0.207 0.000 0.979 65 E CA 0.960 57.279 56.400 -0.136 0.000 0.814 65 E CB -0.174 29.449 29.700 -0.128 0.000 0.762 65 E HN 0.564 nan 8.360 nan 0.000 0.460 66 K N 1.181 121.369 120.400 -0.353 0.000 2.163 66 K HA -0.260 4.060 4.320 -0.001 0.000 0.210 66 K C 1.998 178.497 176.600 -0.169 0.000 1.048 66 K CA 1.971 58.034 56.287 -0.374 0.000 0.928 66 K CB -0.367 31.898 32.500 -0.392 0.000 0.716 66 K HN 0.004 nan 8.250 nan 0.000 0.459 67 S N -0.371 115.262 115.700 -0.113 0.000 2.309 67 S HA -0.022 4.448 4.470 -0.001 0.000 0.206 67 S C 1.034 175.602 174.600 -0.053 0.000 1.028 67 S CA 0.561 58.724 58.200 -0.062 0.000 0.972 67 S CB -0.657 62.519 63.200 -0.040 0.000 0.961 67 S HN 0.661 nan 8.310 nan 0.000 0.449 68 S N 1.105 116.778 115.700 -0.046 0.000 2.502 68 S HA 0.544 5.014 4.470 -0.001 0.000 0.251 68 S C 0.654 175.235 174.600 -0.031 0.000 1.254 68 S CA -0.120 58.062 58.200 -0.030 0.000 0.989 68 S CB -0.612 62.577 63.200 -0.019 0.000 1.015 68 S HN 0.826 nan 8.310 nan 0.000 0.529 69 R N 0.311 120.801 120.500 -0.016 0.000 2.370 69 R HA 0.475 4.815 4.340 -0.001 0.000 0.309 69 R C 0.129 176.419 176.300 -0.017 0.000 1.059 69 R CA 0.115 56.209 56.100 -0.009 0.000 0.981 69 R CB -1.293 29.013 30.300 0.010 0.000 0.972 69 R HN 0.706 nan 8.270 nan 0.000 0.437 70 T N 1.781 116.319 114.554 -0.027 0.000 3.444 70 T HA 0.334 4.683 4.350 -0.001 0.000 0.265 70 T C -0.688 173.996 174.700 -0.026 0.000 1.537 70 T CA -0.135 61.946 62.100 -0.031 0.000 1.530 70 T CB 0.272 69.109 68.868 -0.052 0.000 0.958 70 T HN 0.615 nan 8.240 nan 0.000 0.684 71 T N 1.986 116.531 114.554 -0.015 0.000 3.483 71 T HA 0.509 4.859 4.350 -0.001 0.000 0.329 71 T C 0.120 174.820 174.700 -0.000 0.000 1.014 71 T CA -0.653 61.439 62.100 -0.014 0.000 1.056 71 T CB 0.774 69.647 68.868 0.010 0.000 1.090 71 T HN 0.539 nan 8.240 nan 0.000 0.460 72 L N 1.569 122.759 121.223 -0.055 0.000 2.485 72 L HA 0.809 5.148 4.340 -0.001 0.000 0.275 72 L C 0.839 177.750 176.870 0.069 0.000 1.207 72 L CA -0.089 54.720 54.840 -0.051 0.000 0.855 72 L CB -1.245 40.569 42.059 -0.408 0.000 1.114 72 L HN 1.053 nan 8.230 nan 0.000 0.485 73 E N 2.769 123.098 120.200 0.215 0.000 2.606 73 E HA -0.006 4.344 4.350 -0.001 0.000 0.248 73 E C 0.907 177.648 176.600 0.235 0.000 1.005 73 E CA 0.303 56.836 56.400 0.221 0.000 0.946 73 E CB -0.371 29.444 29.700 0.193 0.000 0.928 73 E HN 1.148 nan 8.360 nan 0.000 0.494 74 W N 3.059 124.370 121.300 0.018 0.000 2.335 74 W HA -0.186 4.474 4.660 -0.001 0.000 0.311 74 W C 0.599 177.114 176.519 -0.007 0.000 1.213 74 W CA 2.091 59.382 57.345 -0.090 0.000 1.274 74 W CB 0.047 29.289 29.460 -0.363 0.000 1.148 74 W HN 0.748 nan 8.180 nan 0.000 0.498 75 D N 0.818 121.314 120.400 0.160 0.000 2.351 75 D HA -0.130 4.510 4.640 -0.001 0.000 0.216 75 D C 2.097 178.381 176.300 -0.026 0.000 0.968 75 D CA 1.873 55.935 54.000 0.104 0.000 0.899 75 D CB -0.219 40.678 40.800 0.162 0.000 0.907 75 D HN 0.383 nan 8.370 nan 0.000 0.514 76 K N 0.926 121.314 120.400 -0.020 0.000 2.353 76 K HA 0.180 4.500 4.320 -0.001 0.000 0.195 76 K C 1.151 177.724 176.600 -0.045 0.000 1.031 76 K CA -0.070 56.168 56.287 -0.082 0.000 1.079 76 K CB -0.612 31.747 32.500 -0.235 0.000 0.857 76 K HN 0.370 nan 8.250 nan 0.000 0.535 77 I N -1.505 119.055 120.570 -0.017 0.000 2.634 77 I HA 0.564 4.734 4.170 -0.001 0.000 0.284 77 I C 0.002 176.052 176.117 -0.111 0.000 1.124 77 I CA -0.467 60.824 61.300 -0.015 0.000 1.417 77 I CB 1.058 38.889 38.000 -0.282 0.000 1.396 77 I HN 0.156 nan 8.210 nan 0.000 0.571 78 K N 4.029 124.400 120.400 -0.050 0.000 2.444 78 K HA 0.717 5.036 4.320 -0.001 0.000 0.252 78 K C -0.328 176.224 176.600 -0.079 0.000 0.993 78 K CA -0.275 55.968 56.287 -0.074 0.000 0.847 78 K CB 1.269 33.738 32.500 -0.052 0.000 1.340 78 K HN 0.989 nan 8.250 nan 0.000 0.446 79 S N 2.277 117.912 115.700 -0.109 0.000 2.452 79 S HA 0.554 5.023 4.470 -0.001 0.000 0.284 79 S C -1.878 172.685 174.600 -0.061 0.000 1.171 79 S CA -1.077 57.052 58.200 -0.119 0.000 1.064 79 S CB 0.464 63.559 63.200 -0.175 0.000 0.967 79 S HN 0.598 nan 8.310 nan 0.000 0.484 80 P HA 0.124 nan 4.420 nan 0.000 0.264 80 P C 0.473 177.768 177.300 -0.009 0.000 1.179 80 P CA 0.280 63.376 63.100 -0.006 0.000 0.763 80 P CB -0.322 31.388 31.700 0.017 0.000 0.806 81 N N 3.421 122.118 118.700 -0.004 0.000 2.399 81 N HA 0.105 4.845 4.740 -0.001 0.000 0.250 81 N C -1.481 174.030 175.510 0.002 0.000 1.272 81 N CA -1.217 51.829 53.050 -0.007 0.000 0.928 81 N CB -1.206 37.274 38.487 -0.012 0.000 1.158 81 N HN 0.318 nan 8.380 nan 0.000 0.463 82 P HA -0.153 nan 4.420 nan 0.000 0.220 82 P C 0.425 177.727 177.300 0.004 0.000 1.144 82 P CA 0.834 63.938 63.100 0.006 0.000 0.800 82 P CB 0.264 31.964 31.700 -0.000 0.000 0.772 83 D N -0.136 120.255 120.400 -0.015 0.000 2.127 83 D HA -0.193 4.447 4.640 -0.001 0.000 0.190 83 D C 1.705 177.985 176.300 -0.034 0.000 1.000 83 D CA 1.378 55.351 54.000 -0.045 0.000 0.839 83 D CB -0.202 40.576 40.800 -0.036 0.000 0.955 83 D HN 0.327 nan 8.370 nan 0.000 0.446 84 E N -1.237 118.979 120.200 0.027 0.000 2.364 84 E HA 0.131 4.480 4.350 -0.001 0.000 0.196 84 E C -0.159 176.528 176.600 0.145 0.000 0.990 84 E CA 0.025 56.480 56.400 0.091 0.000 0.886 84 E CB 1.544 31.281 29.700 0.061 0.000 0.866 84 E HN -0.033 nan 8.360 nan 0.000 0.493 85 V N 2.360 122.336 119.914 0.103 0.000 2.462 85 V HA 0.167 4.287 4.120 -0.001 0.000 0.288 85 V C -0.581 175.564 176.094 0.085 0.000 1.020 85 V CA -0.770 61.590 62.300 0.101 0.000 0.857 85 V CB 1.886 33.743 31.823 0.057 0.000 1.013 85 V HN -0.094 nan 8.190 nan 0.000 0.431 86 V N 5.179 125.158 119.914 0.109 0.000 2.465 86 V HA 0.410 4.530 4.120 -0.001 0.000 0.279 86 V C 0.462 176.573 176.094 0.028 0.000 1.045 86 V CA -0.917 61.420 62.300 0.060 0.000 0.938 86 V CB 1.147 32.998 31.823 0.048 0.000 0.986 86 V HN 0.741 nan 8.190 nan 0.000 0.467 87 K N 2.270 122.687 120.400 0.028 0.000 2.168 87 K HA 0.206 4.526 4.320 -0.001 0.000 0.258 87 K C 0.476 177.114 176.600 0.063 0.000 1.010 87 K CA -0.430 55.887 56.287 0.051 0.000 0.929 87 K CB 0.795 33.321 32.500 0.043 0.000 0.998 87 K HN 0.650 nan 8.250 nan 0.000 0.479 88 Y N 2.112 122.388 120.300 -0.041 0.000 2.242 88 Y HA -0.278 4.272 4.550 -0.001 0.000 0.291 88 Y C 2.625 178.505 175.900 -0.033 0.000 1.137 88 Y CA 2.417 60.489 58.100 -0.047 0.000 1.181 88 Y CB -0.464 37.977 38.460 -0.031 0.000 0.989 88 Y HN 0.935 nan 8.280 nan 0.000 0.527 89 E N 0.697 120.945 120.200 0.079 0.000 2.136 89 E HA -0.296 4.054 4.350 -0.001 0.000 0.208 89 E C 2.025 178.590 176.600 -0.057 0.000 1.035 89 E CA 2.362 58.772 56.400 0.016 0.000 0.838 89 E CB -1.281 28.436 29.700 0.027 0.000 0.748 89 E HN 0.662 nan 8.360 nan 0.000 0.459 90 I N -0.044 120.486 120.570 -0.066 0.000 2.090 90 I HA -0.201 3.969 4.170 -0.001 0.000 0.236 90 I C 2.820 178.848 176.117 -0.149 0.000 1.064 90 I CA 1.655 62.909 61.300 -0.077 0.000 1.324 90 I CB -0.293 37.686 38.000 -0.036 0.000 1.044 90 I HN 0.304 nan 8.210 nan 0.000 0.399 91 I N 0.061 120.473 120.570 -0.265 0.000 2.118 91 I HA -0.385 3.785 4.170 -0.001 0.000 0.241 91 I C 2.784 178.643 176.117 -0.430 0.000 1.070 91 I CA 1.684 62.758 61.300 -0.377 0.000 1.327 91 I CB -0.841 36.819 38.000 -0.567 0.000 1.034 91 I HN 0.360 nan 8.210 nan 0.000 0.405 92 S N 0.506 115.823 115.700 -0.637 0.000 2.451 92 S HA -0.327 4.143 4.470 -0.001 0.000 0.272 92 S C 1.247 175.730 174.600 -0.195 0.000 1.136 92 S CA 1.790 59.744 58.200 -0.410 0.000 1.209 92 S CB -0.506 62.574 63.200 -0.200 0.000 1.130 92 S HN 0.522 nan 8.310 nan 0.000 0.440 93 Q N 1.951 121.666 119.800 -0.141 0.000 2.681 93 Q HA 0.499 4.839 4.340 -0.001 0.000 0.222 93 Q C 0.040 175.988 176.000 -0.086 0.000 1.258 93 Q CA -0.004 55.747 55.803 -0.087 0.000 1.014 93 Q CB 0.817 29.522 28.738 -0.055 0.000 1.384 93 Q HN 0.704 nan 8.270 nan 0.000 0.570 94 Q N 1.182 120.925 119.800 -0.094 0.000 2.605 94 Q HA 0.403 4.743 4.340 -0.001 0.000 0.296 94 Q C -2.268 173.690 176.000 -0.069 0.000 1.056 94 Q CA -1.132 54.625 55.803 -0.076 0.000 0.778 94 Q CB 0.237 28.926 28.738 -0.082 0.000 1.497 94 Q HN 0.255 nan 8.270 nan 0.000 0.443 95 P HA 0.064 nan 4.420 nan 0.000 0.215 95 P C 0.409 177.674 177.300 -0.058 0.000 1.157 95 P CA 2.354 65.420 63.100 -0.057 0.000 0.863 95 P CB 0.024 31.689 31.700 -0.059 0.000 0.787 96 E N -0.443 119.715 120.200 -0.070 0.000 2.267 96 E HA -0.153 4.197 4.350 -0.001 0.000 0.237 96 E C 0.019 176.561 176.600 -0.097 0.000 1.170 96 E CA 0.499 56.858 56.400 -0.068 0.000 0.704 96 E CB -3.106 26.572 29.700 -0.036 0.000 1.234 96 E HN 0.561 nan 8.360 nan 0.000 0.397 97 N N 0.324 118.961 118.700 -0.105 0.000 2.513 97 N HA 0.352 5.092 4.740 -0.001 0.000 0.268 97 N C 1.074 176.477 175.510 -0.177 0.000 1.180 97 N CA 0.722 53.698 53.050 -0.122 0.000 0.948 97 N CB 1.647 40.077 38.487 -0.095 0.000 1.083 97 N HN 0.343 nan 8.380 nan 0.000 0.455 98 V N 2.153 121.926 119.914 -0.235 0.000 2.922 98 V HA -0.089 4.030 4.120 -0.001 0.000 0.242 98 V C 1.948 177.910 176.094 -0.219 0.000 1.094 98 V CA 1.170 63.243 62.300 -0.379 0.000 1.106 98 V CB -0.171 31.309 31.823 -0.572 0.000 0.799 98 V HN 0.827 nan 8.190 nan 0.000 0.474 99 S N 1.452 117.068 115.700 -0.141 0.000 2.603 99 S HA -0.085 4.385 4.470 -0.001 0.000 0.229 99 S C 1.143 175.713 174.600 -0.050 0.000 0.972 99 S CA 0.942 59.094 58.200 -0.079 0.000 0.935 99 S CB -0.883 62.281 63.200 -0.060 0.000 0.769 99 S HN 0.881 nan 8.310 nan 0.000 0.536 100 N N 1.061 119.729 118.700 -0.053 0.000 2.280 100 N HA 0.191 4.930 4.740 -0.001 0.000 0.192 100 N C 1.214 176.728 175.510 0.007 0.000 1.109 100 N CA -0.107 52.931 53.050 -0.021 0.000 0.855 100 N CB -0.264 38.209 38.487 -0.023 0.000 0.974 100 N HN 0.313 nan 8.380 nan 0.000 0.482 101 L N 1.519 122.744 121.223 0.004 0.000 2.191 101 L HA -0.147 4.193 4.340 -0.001 0.000 0.212 101 L C 2.548 179.447 176.870 0.048 0.000 1.103 101 L CA 1.117 55.983 54.840 0.043 0.000 0.769 101 L CB -0.577 41.514 42.059 0.055 0.000 0.908 101 L HN 0.298 nan 8.230 nan 0.000 0.438 102 S N -0.505 115.213 115.700 0.031 0.000 2.493 102 S HA -0.149 4.321 4.470 -0.001 0.000 0.243 102 S C 1.693 176.316 174.600 0.038 0.000 0.991 102 S CA 0.865 59.084 58.200 0.031 0.000 0.957 102 S CB -0.220 62.991 63.200 0.019 0.000 0.756 102 S HN 0.417 nan 8.310 nan 0.000 0.521 103 K N -0.051 120.376 120.400 0.045 0.000 2.354 103 K HA 0.361 4.681 4.320 -0.001 0.000 0.194 103 K C 0.121 176.769 176.600 0.080 0.000 1.038 103 K CA -0.207 56.114 56.287 0.055 0.000 1.052 103 K CB -0.186 32.344 32.500 0.049 0.000 0.861 103 K HN 0.389 nan 8.250 nan 0.000 0.535 104 L N 1.597 122.875 121.223 0.091 0.000 2.292 104 L HA 0.404 4.744 4.340 -0.001 0.000 0.284 104 L C -0.811 176.122 176.870 0.105 0.000 1.065 104 L CA -0.387 54.528 54.840 0.125 0.000 0.806 104 L CB 1.152 43.302 42.059 0.152 0.000 1.175 104 L HN 0.097 nan 8.230 nan 0.000 0.431 105 A N 4.887 127.772 122.820 0.107 0.000 2.355 105 A HA 0.739 5.058 4.320 -0.001 0.000 0.317 105 A C -1.260 176.373 177.584 0.081 0.000 1.094 105 A CA -0.580 51.507 52.037 0.084 0.000 0.764 105 A CB 1.533 20.574 19.000 0.068 0.000 1.230 105 A HN 0.488 nan 8.150 nan 0.000 0.448 106 V N 2.990 122.941 119.914 0.061 0.000 2.427 106 V HA 0.554 4.674 4.120 -0.001 0.000 0.286 106 V C -0.351 175.712 176.094 -0.052 0.000 1.034 106 V CA -0.319 61.996 62.300 0.025 0.000 0.893 106 V CB 1.301 33.162 31.823 0.064 0.000 0.982 106 V HN 0.811 nan 8.190 nan 0.000 0.452 107 L N 5.198 126.329 121.223 -0.154 0.000 2.408 107 L HA 0.711 5.051 4.340 -0.001 0.000 0.268 107 L C -0.750 175.962 176.870 -0.265 0.000 0.986 107 L CA -0.579 54.166 54.840 -0.159 0.000 0.820 107 L CB 2.041 44.045 42.059 -0.091 0.000 1.303 107 L HN 0.517 nan 8.230 nan 0.000 0.411 108 K N 3.648 123.912 120.400 -0.227 0.000 2.345 108 K HA 0.608 4.927 4.320 -0.001 0.000 0.255 108 K C -1.306 175.143 176.600 -0.251 0.000 0.934 108 K CA -0.301 55.832 56.287 -0.257 0.000 0.801 108 K CB 1.740 34.105 32.500 -0.225 0.000 1.137 108 K HN 0.494 nan 8.250 nan 0.000 0.424 109 L N 2.870 123.936 121.223 -0.261 0.000 2.380 109 L HA 0.313 4.652 4.340 -0.001 0.000 0.273 109 L C 0.662 177.377 176.870 -0.259 0.000 1.138 109 L CA -0.092 54.596 54.840 -0.254 0.000 0.832 109 L CB 0.496 42.404 42.059 -0.251 0.000 1.124 109 L HN 0.661 nan 8.230 nan 0.000 0.454 110 N N 0.607 119.156 118.700 -0.252 0.000 2.217 110 N HA 0.130 4.869 4.740 -0.001 0.000 0.239 110 N C 1.098 176.480 175.510 -0.213 0.000 1.330 110 N CA 0.298 53.207 53.050 -0.234 0.000 0.838 110 N CB 0.874 39.224 38.487 -0.227 0.000 1.287 110 N HN 0.654 nan 8.380 nan 0.000 0.498 111 G N -0.835 107.840 108.800 -0.209 0.000 2.813 111 G HA2 0.131 4.091 3.960 -0.001 0.000 0.209 111 G HA3 0.131 4.091 3.960 -0.001 0.000 0.209 111 G C 0.657 175.445 174.900 -0.188 0.000 1.150 111 G CA 0.136 45.116 45.100 -0.200 0.000 0.785 111 G HN 0.274 nan 8.290 nan 0.000 0.535 112 G N 0.131 108.823 108.800 -0.181 0.000 2.370 112 G HA2 0.498 4.458 3.960 -0.001 0.000 0.272 112 G HA3 0.498 4.458 3.960 -0.001 0.000 0.272 112 G C -0.108 174.707 174.900 -0.143 0.000 1.208 112 G CA -0.562 44.442 45.100 -0.160 0.000 0.856 112 G HN 0.220 nan 8.290 nan 0.000 0.500 113 L N 1.387 122.541 121.223 -0.114 0.000 2.468 113 L HA 0.479 4.819 4.340 -0.001 0.000 0.254 113 L C 1.581 178.410 176.870 -0.069 0.000 1.171 113 L CA -0.398 54.392 54.840 -0.085 0.000 0.809 113 L CB 1.273 43.291 42.059 -0.067 0.000 1.155 113 L HN 0.595 nan 8.230 nan 0.000 0.473 114 G N -1.704 107.071 108.800 -0.042 0.000 3.605 114 G HA2 0.023 3.982 3.960 -0.001 0.000 0.277 114 G HA3 0.023 3.982 3.960 -0.001 0.000 0.277 114 G C 1.143 176.035 174.900 -0.014 0.000 1.093 114 G CA 0.477 45.563 45.100 -0.022 0.000 0.821 114 G HN 0.741 nan 8.290 nan 0.000 0.532 115 T N -0.746 113.796 114.554 -0.020 0.000 2.737 115 T HA -0.179 4.171 4.350 -0.001 0.000 0.265 115 T C 2.596 177.289 174.700 -0.011 0.000 1.038 115 T CA 1.960 64.053 62.100 -0.012 0.000 1.144 115 T CB -0.642 68.219 68.868 -0.012 0.000 0.866 115 T HN 0.359 nan 8.240 nan 0.000 0.434 116 S N 0.915 116.605 115.700 -0.018 0.000 2.571 116 S HA 0.044 4.514 4.470 -0.001 0.000 0.245 116 S C 1.526 176.118 174.600 -0.014 0.000 0.976 116 S CA 0.752 58.942 58.200 -0.017 0.000 0.954 116 S CB -0.864 62.321 63.200 -0.025 0.000 0.756 116 S HN 0.623 nan 8.310 nan 0.000 0.535 117 M N 0.317 119.911 119.600 -0.010 0.000 2.496 117 M HA 0.322 4.801 4.480 -0.001 0.000 0.330 117 M C 1.550 177.853 176.300 0.006 0.000 1.133 117 M CA 0.377 55.673 55.300 -0.006 0.000 0.964 117 M CB 0.807 33.401 32.600 -0.010 0.000 1.401 117 M HN 0.551 nan 8.290 nan 0.000 0.520 118 G N 0.501 109.305 108.800 0.005 0.000 2.417 118 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.233 118 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.233 118 G C 0.404 175.310 174.900 0.009 0.000 1.103 118 G CA 0.028 45.133 45.100 0.010 0.000 0.647 118 G HN 0.479 nan 8.290 nan 0.000 0.512 119 C N 0.379 119.685 119.300 0.010 0.000 2.767 119 C HA 0.603 5.062 4.460 -0.001 0.000 0.353 119 C C 1.090 176.084 174.990 0.006 0.000 1.376 119 C CA 0.287 59.312 59.018 0.011 0.000 2.284 119 C CB 1.054 28.805 27.740 0.017 0.000 2.535 119 C HN 0.591 nan 8.230 nan 0.000 0.745 120 V N 0.581 120.500 119.914 0.007 0.000 2.925 120 V HA 0.841 4.961 4.120 -0.001 0.000 0.311 120 V C 0.455 176.551 176.094 0.004 0.000 1.104 120 V CA 0.862 63.164 62.300 0.004 0.000 0.954 120 V CB 1.417 33.244 31.823 0.006 0.000 1.022 120 V HN 1.525 nan 8.190 nan 0.000 0.427 121 G N 5.133 113.932 108.800 -0.002 0.000 2.582 121 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.222 121 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.222 121 G C -3.212 171.676 174.900 -0.020 0.000 1.311 121 G CA -0.644 44.453 45.100 -0.006 0.000 0.915 121 G HN 0.666 nan 8.290 nan 0.000 0.528 122 P HA 0.287 nan 4.420 nan 0.000 0.270 122 P C 0.759 178.043 177.300 -0.028 0.000 1.223 122 P CA 0.050 63.123 63.100 -0.045 0.000 0.785 122 P CB 0.638 32.311 31.700 -0.046 0.000 0.923 123 K N 1.237 121.597 120.400 -0.067 0.000 2.097 123 K HA -0.114 4.206 4.320 -0.001 0.000 0.205 123 K C 1.746 178.363 176.600 0.028 0.000 1.050 123 K CA 1.740 57.995 56.287 -0.055 0.000 0.938 123 K CB -0.426 31.972 32.500 -0.170 0.000 0.718 123 K HN 0.476 nan 8.250 nan 0.000 0.442 124 S N -0.088 115.582 115.700 -0.049 0.000 2.507 124 S HA -0.081 4.389 4.470 -0.001 0.000 0.235 124 S C 1.570 176.344 174.600 0.291 0.000 0.988 124 S CA 0.876 59.104 58.200 0.046 0.000 0.944 124 S CB -0.235 62.916 63.200 -0.082 0.000 0.762 124 S HN 0.228 nan 8.310 nan 0.000 0.526 125 V N -1.685 118.336 119.914 0.179 0.000 3.542 125 V HA 0.481 4.601 4.120 -0.001 0.000 0.296 125 V C 0.439 176.592 176.094 0.098 0.000 1.364 125 V CA -0.663 61.715 62.300 0.130 0.000 1.118 125 V CB -0.966 30.902 31.823 0.076 0.000 0.972 125 V HN 0.396 nan 8.190 nan 0.000 0.430 126 I N 1.854 122.511 120.570 0.146 0.000 2.533 126 I HA 0.128 4.298 4.170 -0.001 0.000 0.284 126 I C 0.853 176.919 176.117 -0.086 0.000 1.109 126 I CA 0.157 61.491 61.300 0.056 0.000 1.412 126 I CB 0.523 38.595 38.000 0.120 0.000 1.396 126 I HN 0.311 nan 8.210 nan 0.000 0.543 127 E N 4.552 124.702 120.200 -0.083 0.000 2.694 127 E HA -0.084 4.266 4.350 -0.001 0.000 0.250 127 E C 0.518 176.979 176.600 -0.232 0.000 0.963 127 E CA 0.084 56.406 56.400 -0.130 0.000 0.949 127 E CB 1.129 30.788 29.700 -0.068 0.000 0.911 127 E HN 0.556 nan 8.360 nan 0.000 0.500 128 V N 4.444 124.155 119.914 -0.339 0.000 2.840 128 V HA 0.215 4.335 4.120 -0.001 0.000 0.234 128 V C 0.279 176.230 176.094 -0.238 0.000 1.159 128 V CA 0.667 62.724 62.300 -0.406 0.000 1.194 128 V CB 0.606 31.972 31.823 -0.762 0.000 0.971 128 V HN 0.534 nan 8.190 nan 0.000 0.494 129 R N 0.445 120.828 120.500 -0.195 0.000 2.538 129 R HA 0.375 4.714 4.340 -0.001 0.000 0.292 129 R C -0.729 175.527 176.300 -0.073 0.000 1.008 129 R CA -0.212 55.820 56.100 -0.114 0.000 0.896 129 R CB 1.320 31.551 30.300 -0.116 0.000 1.187 129 R HN 0.542 nan 8.270 nan 0.000 0.440 130 E N 2.020 122.198 120.200 -0.038 0.000 2.228 130 E HA -0.256 4.093 4.350 -0.001 0.000 0.213 130 E C 0.573 177.157 176.600 -0.027 0.000 1.282 130 E CA 0.949 57.336 56.400 -0.021 0.000 0.707 130 E CB -1.043 28.648 29.700 -0.015 0.000 1.150 130 E HN 1.139 nan 8.360 nan 0.000 0.362 131 G N -0.078 108.703 108.800 -0.033 0.000 2.196 131 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.268 131 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.268 131 G C 0.033 174.908 174.900 -0.041 0.000 0.975 131 G CA 0.306 45.387 45.100 -0.032 0.000 0.648 131 G HN 0.398 nan 8.290 nan 0.000 0.538 132 N N 1.464 120.128 118.700 -0.059 0.000 2.434 132 N HA 0.432 5.171 4.740 -0.001 0.000 0.272 132 N C 0.994 176.436 175.510 -0.113 0.000 1.040 132 N CA 0.631 53.644 53.050 -0.061 0.000 0.956 132 N CB 1.323 39.772 38.487 -0.062 0.000 1.108 132 N HN 0.572 nan 8.380 nan 0.000 0.481 133 T N -0.545 113.966 114.554 -0.070 0.000 2.689 133 T HA 0.166 4.515 4.350 -0.001 0.000 0.308 133 T C 1.598 176.220 174.700 -0.130 0.000 1.021 133 T CA -0.086 61.951 62.100 -0.104 0.000 0.973 133 T CB 0.194 69.077 68.868 0.026 0.000 1.113 133 T HN 0.234 nan 8.240 nan 0.000 0.522 134 F N 0.043 119.971 119.950 -0.037 0.000 2.051 134 F HA -0.003 4.523 4.527 -0.001 0.000 0.296 134 F C 2.541 178.308 175.800 -0.054 0.000 1.122 134 F CA 1.032 58.995 58.000 -0.062 0.000 1.201 134 F CB -0.871 38.080 39.000 -0.081 0.000 0.978 134 F HN 0.257 nan 8.300 nan 0.000 0.472 135 L N 0.395 121.721 121.223 0.172 0.000 2.010 135 L HA -0.305 4.035 4.340 -0.001 0.000 0.219 135 L C 2.165 179.043 176.870 0.012 0.000 1.077 135 L CA 2.069 56.938 54.840 0.049 0.000 0.773 135 L CB -1.447 40.672 42.059 0.100 0.000 0.892 135 L HN 0.205 nan 8.230 nan 0.000 0.436 136 D N -0.474 120.001 120.400 0.126 0.000 2.116 136 D HA -0.222 4.418 4.640 -0.001 0.000 0.193 136 D C 2.422 178.753 176.300 0.051 0.000 0.998 136 D CA 1.068 55.159 54.000 0.152 0.000 0.836 136 D CB -0.261 40.612 40.800 0.122 0.000 0.951 136 D HN 0.311 nan 8.370 nan 0.000 0.449 137 L N 0.959 122.189 121.223 0.013 0.000 2.042 137 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 137 L C 2.707 179.574 176.870 -0.004 0.000 1.076 137 L CA 1.444 56.278 54.840 -0.010 0.000 0.749 137 L CB -0.561 41.477 42.059 -0.035 0.000 0.893 137 L HN 0.100 nan 8.230 nan 0.000 0.432 138 S N -0.460 115.234 115.700 -0.011 0.000 2.355 138 S HA -0.138 4.332 4.470 -0.001 0.000 0.222 138 S C 1.966 176.545 174.600 -0.034 0.000 1.031 138 S CA 1.261 59.447 58.200 -0.024 0.000 0.993 138 S CB -0.602 62.565 63.200 -0.056 0.000 0.859 138 S HN 0.144 nan 8.310 nan 0.000 0.453 139 V N 2.730 122.594 119.914 -0.082 0.000 2.255 139 V HA -0.171 3.949 4.120 -0.001 0.000 0.247 139 V C 3.472 179.569 176.094 0.005 0.000 1.051 139 V CA 2.460 64.706 62.300 -0.089 0.000 1.018 139 V CB -1.810 29.892 31.823 -0.203 0.000 0.641 139 V HN 0.778 nan 8.190 nan 0.000 0.445 140 R N -0.466 120.050 120.500 0.027 0.000 2.103 140 R HA -0.289 4.051 4.340 -0.001 0.000 0.242 140 R C 2.067 178.406 176.300 0.065 0.000 1.142 140 R CA 2.386 58.513 56.100 0.045 0.000 0.960 140 R CB -1.178 29.136 30.300 0.023 0.000 0.858 140 R HN 0.719 nan 8.270 nan 0.000 0.439 141 Q N -0.262 119.571 119.800 0.055 0.000 2.016 141 Q HA -0.077 4.262 4.340 -0.001 0.000 0.200 141 Q C 2.399 178.478 176.000 0.131 0.000 0.978 141 Q CA 1.872 57.732 55.803 0.095 0.000 0.833 141 Q CB -0.288 28.495 28.738 0.076 0.000 0.895 141 Q HN 0.810 nan 8.270 nan 0.000 0.427 142 I N -1.248 119.374 120.570 0.087 0.000 2.315 142 I HA -0.162 4.007 4.170 -0.001 0.000 0.248 142 I C 2.003 178.162 176.117 0.070 0.000 1.117 142 I CA 1.500 62.848 61.300 0.080 0.000 1.404 142 I CB -0.536 37.496 38.000 0.052 0.000 1.071 142 I HN 0.097 nan 8.210 nan 0.000 0.419 143 E N 0.052 120.293 120.200 0.069 0.000 2.049 143 E HA -0.320 4.030 4.350 -0.001 0.000 0.198 143 E C 2.216 178.862 176.600 0.077 0.000 1.007 143 E CA 1.976 58.417 56.400 0.068 0.000 0.809 143 E CB -0.412 29.335 29.700 0.078 0.000 0.749 143 E HN 0.642 nan 8.360 nan 0.000 0.450 144 Y N 1.062 121.348 120.300 -0.024 0.000 2.097 144 Y HA -0.258 4.291 4.550 -0.001 0.000 0.282 144 Y C 2.115 177.946 175.900 -0.115 0.000 1.152 144 Y CA 1.693 59.755 58.100 -0.063 0.000 1.136 144 Y CB -0.529 37.897 38.460 -0.056 0.000 0.975 144 Y HN 0.072 nan 8.280 nan 0.000 0.498 145 L N -0.008 121.181 121.223 -0.057 0.000 2.010 145 L HA -0.414 3.926 4.340 -0.001 0.000 0.219 145 L C 2.133 178.925 176.870 -0.129 0.000 1.077 145 L CA 2.018 56.795 54.840 -0.106 0.000 0.773 145 L CB -0.751 41.367 42.059 0.099 0.000 0.892 145 L HN 0.368 nan 8.230 nan 0.000 0.436 146 N N -0.034 118.641 118.700 -0.041 0.000 2.004 146 N HA -0.229 4.510 4.740 -0.001 0.000 0.196 146 N C 2.010 177.470 175.510 -0.084 0.000 1.064 146 N CA 2.254 55.294 53.050 -0.016 0.000 0.855 146 N CB -0.962 37.531 38.487 0.011 0.000 1.056 146 N HN 0.278 nan 8.380 nan 0.000 0.423 147 R N 0.530 120.960 120.500 -0.116 0.000 2.134 147 R HA -0.209 4.130 4.340 -0.001 0.000 0.248 147 R C 2.434 178.596 176.300 -0.229 0.000 1.143 147 R CA 2.840 58.860 56.100 -0.133 0.000 0.957 147 R CB -2.197 28.045 30.300 -0.096 0.000 0.867 147 R HN 0.654 nan 8.270 nan 0.000 0.441 148 Q N -1.428 118.077 119.800 -0.492 0.000 2.364 148 Q HA 0.034 4.374 4.340 -0.001 0.000 0.207 148 Q C 1.805 177.582 176.000 -0.372 0.000 0.970 148 Q CA 1.562 56.990 55.803 -0.626 0.000 0.888 148 Q CB -0.186 27.824 28.738 -1.214 0.000 0.951 148 Q HN 0.924 nan 8.270 nan 0.000 0.469 149 Y N -1.202 119.017 120.300 -0.136 0.000 2.448 149 Y HA 0.279 4.828 4.550 -0.001 0.000 0.257 149 Y C -0.044 175.827 175.900 -0.048 0.000 1.089 149 Y CA -0.587 57.465 58.100 -0.079 0.000 1.245 149 Y CB 1.124 39.544 38.460 -0.067 0.000 1.282 149 Y HN 0.412 nan 8.280 nan 0.000 0.529 150 D N 0.082 120.535 120.400 0.088 0.000 3.110 150 D HA -0.127 4.513 4.640 -0.001 0.000 0.214 150 D C -0.375 175.957 176.300 0.054 0.000 1.112 150 D CA 1.097 55.128 54.000 0.052 0.000 0.927 150 D CB -1.591 39.237 40.800 0.046 0.000 1.095 150 D HN 0.304 nan 8.370 nan 0.000 0.429 151 S N -0.378 115.364 115.700 0.070 0.000 2.473 151 S HA 0.507 4.977 4.470 -0.001 0.000 0.307 151 S C -0.412 174.221 174.600 0.055 0.000 1.094 151 S CA -0.995 57.243 58.200 0.064 0.000 1.070 151 S CB 2.730 65.979 63.200 0.081 0.000 1.019 151 S HN -0.035 nan 8.310 nan 0.000 0.480 152 D N 2.865 123.292 120.400 0.045 0.000 2.741 152 D HA 0.204 4.844 4.640 -0.001 0.000 0.233 152 D C -0.317 176.010 176.300 0.046 0.000 1.160 152 D CA -0.410 53.615 54.000 0.041 0.000 1.003 152 D CB -0.247 40.574 40.800 0.034 0.000 1.064 152 D HN 0.363 nan 8.370 nan 0.000 0.503 153 V N 4.350 124.297 119.914 0.055 0.000 2.521 153 V HA 0.204 4.324 4.120 -0.001 0.000 0.286 153 V C -1.676 174.448 176.094 0.049 0.000 1.034 153 V CA -0.954 61.383 62.300 0.061 0.000 1.045 153 V CB 0.789 32.659 31.823 0.079 0.000 0.974 153 V HN 0.427 nan 8.190 nan 0.000 0.480 154 P HA 0.383 nan 4.420 nan 0.000 0.290 154 P C -0.830 176.488 177.300 0.030 0.000 1.276 154 P CA -0.602 62.520 63.100 0.037 0.000 0.808 154 P CB 1.622 33.346 31.700 0.041 0.000 0.966 155 L N 4.095 125.324 121.223 0.009 0.000 2.325 155 L HA 0.475 4.815 4.340 -0.001 0.000 0.279 155 L C -0.780 176.085 176.870 -0.008 0.000 1.054 155 L CA -0.524 54.306 54.840 -0.016 0.000 0.804 155 L CB 0.675 42.700 42.059 -0.057 0.000 1.200 155 L HN 0.249 nan 8.230 nan 0.000 0.436 156 L N 6.419 127.634 121.223 -0.014 0.000 2.406 156 L HA 0.519 4.859 4.340 -0.001 0.000 0.270 156 L C -0.550 176.282 176.870 -0.064 0.000 0.982 156 L CA -0.559 54.297 54.840 0.026 0.000 0.843 156 L CB 1.624 43.760 42.059 0.127 0.000 1.225 156 L HN 0.568 nan 8.230 nan 0.000 0.412 157 L N 3.816 124.968 121.223 -0.117 0.000 2.259 157 L HA 0.548 4.888 4.340 -0.001 0.000 0.288 157 L C 0.034 176.625 176.870 -0.465 0.000 1.051 157 L CA -0.248 54.455 54.840 -0.228 0.000 0.824 157 L CB 1.145 43.100 42.059 -0.174 0.000 1.206 157 L HN 0.851 nan 8.230 nan 0.000 0.429 158 M N 4.319 123.566 119.600 -0.589 0.000 2.264 158 M HA 0.327 4.807 4.480 -0.001 0.000 0.340 158 M C 0.019 175.989 176.300 -0.550 0.000 1.420 158 M CA -0.274 54.451 55.300 -0.957 0.000 1.254 158 M CB -0.109 32.070 32.600 -0.702 0.000 1.575 158 M HN 0.891 nan 8.290 nan 0.000 0.452 159 N N 1.949 120.354 118.700 -0.492 0.000 2.386 159 N HA 0.512 5.251 4.740 -0.001 0.000 0.291 159 N C -0.384 174.997 175.510 -0.215 0.000 1.309 159 N CA -0.249 52.635 53.050 -0.277 0.000 0.948 159 N CB 0.580 38.955 38.487 -0.188 0.000 1.083 159 N HN 0.774 nan 8.380 nan 0.000 0.527 160 S N -1.616 113.987 115.700 -0.163 0.000 2.752 160 S HA 0.383 4.853 4.470 -0.001 0.000 0.284 160 S C 0.541 175.087 174.600 -0.089 0.000 1.189 160 S CA -0.726 57.383 58.200 -0.153 0.000 0.835 160 S CB -0.017 63.001 63.200 -0.304 0.000 1.192 160 S HN 0.435 nan 8.310 nan 0.000 0.506 161 F N 0.715 120.652 119.950 -0.023 0.000 2.259 161 F HA 0.279 4.806 4.527 -0.001 0.000 0.298 161 F C 1.504 177.315 175.800 0.018 0.000 1.088 161 F CA 1.035 59.037 58.000 0.002 0.000 1.358 161 F CB -1.198 37.813 39.000 0.019 0.000 1.040 161 F HN 0.504 nan 8.300 nan 0.000 0.505 162 N N -0.061 118.397 118.700 -0.404 0.000 2.550 162 N HA -0.049 4.690 4.740 -0.001 0.000 0.186 162 N C 1.117 176.556 175.510 -0.118 0.000 1.110 162 N CA 1.179 54.099 53.050 -0.216 0.000 0.912 162 N CB -0.062 38.226 38.487 -0.331 0.000 0.968 162 N HN 0.596 nan 8.380 nan 0.000 0.448 163 T N -4.748 109.738 114.554 -0.113 0.000 3.010 163 T HA 0.100 4.450 4.350 -0.001 0.000 0.253 163 T C 1.150 175.824 174.700 -0.043 0.000 0.939 163 T CA -0.243 61.809 62.100 -0.079 0.000 0.910 163 T CB 0.018 68.816 68.868 -0.116 0.000 1.226 163 T HN -0.191 nan 8.240 nan 0.000 0.508 164 D N 2.718 123.101 120.400 -0.029 0.000 2.205 164 D HA -0.152 4.488 4.640 -0.001 0.000 0.190 164 D C 2.533 178.838 176.300 0.009 0.000 1.002 164 D CA 3.075 57.069 54.000 -0.009 0.000 0.848 164 D CB -0.350 40.465 40.800 0.026 0.000 0.975 164 D HN 0.573 nan 8.370 nan 0.000 0.449 165 K N 0.331 120.748 120.400 0.029 0.000 2.044 165 K HA -0.195 4.125 4.320 -0.001 0.000 0.210 165 K C 1.995 178.608 176.600 0.023 0.000 1.049 165 K CA 2.256 58.562 56.287 0.031 0.000 0.927 165 K CB -1.264 31.262 32.500 0.042 0.000 0.713 165 K HN 0.327 nan 8.250 nan 0.000 0.443 166 D N -0.395 120.016 120.400 0.017 0.000 2.264 166 D HA -0.052 4.588 4.640 -0.001 0.000 0.208 166 D C 1.864 178.172 176.300 0.014 0.000 0.966 166 D CA 1.679 55.687 54.000 0.014 0.000 0.864 166 D CB -0.035 40.770 40.800 0.008 0.000 0.933 166 D HN 0.572 nan 8.370 nan 0.000 0.499 167 T N -0.725 113.833 114.554 0.006 0.000 3.009 167 T HA 0.022 4.372 4.350 -0.001 0.000 0.258 167 T C 2.082 176.798 174.700 0.027 0.000 1.063 167 T CA 1.221 63.327 62.100 0.010 0.000 1.139 167 T CB -0.222 68.630 68.868 -0.027 0.000 0.890 167 T HN 0.331 nan 8.240 nan 0.000 0.471 168 E N 1.125 121.339 120.200 0.023 0.000 2.017 168 E HA -0.219 4.131 4.350 -0.001 0.000 0.193 168 E C 2.108 178.731 176.600 0.039 0.000 0.997 168 E CA 2.158 58.578 56.400 0.033 0.000 0.804 168 E CB -1.853 27.865 29.700 0.030 0.000 0.757 168 E HN 0.921 nan 8.360 nan 0.000 0.448 169 H N -0.702 118.387 119.070 0.031 0.000 2.387 169 H HA 0.244 4.800 4.556 -0.001 0.000 0.299 169 H C 2.740 178.084 175.328 0.027 0.000 1.090 169 H CA 3.526 59.589 56.048 0.026 0.000 1.332 169 H CB -1.140 28.633 29.762 0.018 0.000 1.386 169 H HN 0.780 nan 8.280 nan 0.000 0.516 170 L N 1.282 122.527 121.223 0.037 0.000 1.994 170 L HA 0.089 4.429 4.340 -0.001 0.000 0.208 170 L C 3.417 180.345 176.870 0.097 0.000 1.071 170 L CA 3.480 58.348 54.840 0.047 0.000 0.745 170 L CB -2.025 40.074 42.059 0.065 0.000 0.892 170 L HN 1.000 nan 8.230 nan 0.000 0.431 171 I N 0.100 120.766 120.570 0.161 0.000 2.248 171 I HA -0.143 4.027 4.170 -0.001 0.000 0.248 171 I C 3.005 179.273 176.117 0.252 0.000 1.107 171 I CA 3.415 64.892 61.300 0.297 0.000 1.373 171 I CB -2.143 35.953 38.000 0.160 0.000 1.055 171 I HN 0.750 nan 8.210 nan 0.000 0.418 172 K N 0.869 121.332 120.400 0.106 0.000 2.442 172 K HA -0.091 4.228 4.320 -0.001 0.000 0.199 172 K C 2.367 178.971 176.600 0.006 0.000 1.044 172 K CA 2.108 58.431 56.287 0.059 0.000 0.941 172 K CB -1.791 30.729 32.500 0.032 0.000 0.759 172 K HN 1.053 nan 8.250 nan 0.000 0.472 173 K N -0.177 120.174 120.400 -0.082 0.000 2.211 173 K HA -0.023 4.296 4.320 -0.001 0.000 0.203 173 K C 1.601 178.037 176.600 -0.273 0.000 1.050 173 K CA 1.253 57.398 56.287 -0.237 0.000 0.945 173 K CB -0.688 31.562 32.500 -0.416 0.000 0.732 173 K HN 0.744 nan 8.250 nan 0.000 0.451 174 Y N 1.723 122.028 120.300 0.008 0.000 2.547 174 Y HA 0.273 4.823 4.550 -0.001 0.000 0.325 174 Y C 0.988 176.895 175.900 0.012 0.000 1.165 174 Y CA -0.768 57.338 58.100 0.010 0.000 1.300 174 Y CB -0.694 37.773 38.460 0.011 0.000 1.126 174 Y HN 0.046 nan 8.280 nan 0.000 0.513 175 S N 0.743 116.498 115.700 0.091 0.000 2.598 175 S HA 0.257 4.727 4.470 -0.001 0.000 0.256 175 S C 1.050 175.686 174.600 0.059 0.000 1.350 175 S CA -0.049 58.190 58.200 0.065 0.000 0.984 175 S CB 0.114 63.333 63.200 0.032 0.000 0.930 175 S HN 0.586 nan 8.310 nan 0.000 0.577 176 A N 1.485 124.333 122.820 0.046 0.000 2.089 176 A HA -0.237 4.082 4.320 -0.001 0.000 0.265 176 A C 0.262 177.876 177.584 0.050 0.000 1.315 176 A CA 1.077 53.139 52.037 0.040 0.000 0.768 176 A CB -1.867 17.150 19.000 0.027 0.000 1.112 176 A HN 0.746 nan 8.150 nan 0.000 0.336 177 N N -1.419 117.320 118.700 0.065 0.000 2.453 177 N HA 0.719 5.459 4.740 -0.001 0.000 0.290 177 N C 0.772 176.316 175.510 0.056 0.000 1.250 177 N CA -0.243 52.850 53.050 0.072 0.000 0.815 177 N CB 0.873 39.428 38.487 0.113 0.000 1.381 177 N HN 0.504 nan 8.380 nan 0.000 0.510 178 R N 0.166 120.698 120.500 0.053 0.000 3.298 178 R HA 0.511 4.850 4.340 -0.001 0.000 0.249 178 R C 0.063 176.386 176.300 0.039 0.000 1.563 178 R CA 0.627 56.752 56.100 0.041 0.000 1.378 178 R CB -1.459 28.862 30.300 0.035 0.000 1.250 178 R HN 0.461 nan 8.270 nan 0.000 0.580 179 I N -0.544 120.052 120.570 0.043 0.000 2.571 179 I HA 0.659 4.828 4.170 -0.001 0.000 0.289 179 I C -0.123 176.013 176.117 0.031 0.000 1.115 179 I CA -1.444 59.874 61.300 0.031 0.000 1.045 179 I CB 1.819 39.827 38.000 0.014 0.000 1.238 179 I HN 0.395 nan 8.210 nan 0.000 0.424 180 R N 5.058 125.574 120.500 0.026 0.000 2.408 180 R HA 0.695 5.035 4.340 -0.001 0.000 0.308 180 R C -1.155 175.157 176.300 0.020 0.000 1.210 180 R CA -0.308 55.809 56.100 0.029 0.000 1.115 180 R CB 0.056 30.375 30.300 0.031 0.000 1.127 180 R HN 0.749 nan 8.270 nan 0.000 0.523 181 I N 2.701 123.281 120.570 0.017 0.000 2.396 181 I HA 0.459 4.629 4.170 -0.001 0.000 0.292 181 I C 0.650 176.781 176.117 0.024 0.000 0.999 181 I CA 0.275 61.574 61.300 -0.003 0.000 1.310 181 I CB 1.711 39.690 38.000 -0.035 0.000 1.404 181 I HN 0.558 nan 8.210 nan 0.000 0.496 182 R N 3.456 123.974 120.500 0.029 0.000 2.698 182 R HA 0.848 5.188 4.340 -0.001 0.000 0.275 182 R C -0.576 175.766 176.300 0.071 0.000 1.001 182 R CA -0.353 55.784 56.100 0.061 0.000 0.896 182 R CB 1.317 31.666 30.300 0.082 0.000 1.218 182 R HN 0.812 nan 8.270 nan 0.000 0.462 183 S N 0.338 116.088 115.700 0.082 0.000 2.786 183 S HA 1.019 5.488 4.470 -0.001 0.000 0.307 183 S C -0.185 174.543 174.600 0.213 0.000 1.121 183 S CA 0.094 58.322 58.200 0.046 0.000 0.975 183 S CB 1.152 64.343 63.200 -0.015 0.000 1.220 183 S HN 1.910 nan 8.310 nan 0.000 0.550 184 F N -1.407 118.534 119.950 -0.015 0.000 2.842 184 F HA 0.602 5.129 4.527 -0.001 0.000 0.319 184 F C -1.347 174.446 175.800 -0.012 0.000 1.159 184 F CA -1.154 56.840 58.000 -0.010 0.000 0.902 184 F CB 0.583 39.579 39.000 -0.007 0.000 1.311 184 F HN 0.640 nan 8.300 nan 0.000 0.453 185 N N 0.833 119.653 118.700 0.199 0.000 2.443 185 N HA 0.421 5.161 4.740 -0.001 0.000 0.293 185 N C -1.124 174.497 175.510 0.184 0.000 1.159 185 N CA -0.332 52.767 53.050 0.082 0.000 0.904 185 N CB 2.114 40.653 38.487 0.085 0.000 1.214 185 N HN 0.926 nan 8.380 nan 0.000 0.513 186 Q N -0.157 119.695 119.800 0.086 0.000 2.448 186 Q HA 0.572 4.911 4.340 -0.001 0.000 0.192 186 Q C -0.512 175.545 176.000 0.095 0.000 1.001 186 Q CA -0.829 55.039 55.803 0.108 0.000 1.018 186 Q CB 0.114 28.873 28.738 0.035 0.000 1.290 186 Q HN 0.363 nan 8.270 nan 0.000 0.517 187 S N -0.389 115.356 115.700 0.075 0.000 2.580 187 S HA 0.518 4.988 4.470 -0.001 0.000 0.274 187 S C 0.107 174.767 174.600 0.099 0.000 1.329 187 S CA -0.292 57.980 58.200 0.119 0.000 1.036 187 S CB 0.810 64.173 63.200 0.271 0.000 0.919 187 S HN 0.621 nan 8.310 nan 0.000 0.515 188 R N 1.904 122.384 120.500 -0.034 0.000 3.256 188 R HA 0.441 4.780 4.340 -0.001 0.000 0.263 188 R C -0.643 175.403 176.300 -0.425 0.000 1.388 188 R CA -0.518 55.368 56.100 -0.357 0.000 1.580 188 R CB -0.910 28.873 30.300 -0.861 0.000 1.255 188 R HN 0.493 nan 8.270 nan 0.000 0.640 189 F N 2.128 121.776 119.950 -0.504 0.000 2.496 189 F HA 0.347 4.873 4.527 -0.001 0.000 0.344 189 F C -1.525 174.035 175.800 -0.401 0.000 1.155 189 F CA -2.295 55.380 58.000 -0.541 0.000 1.302 189 F CB 1.228 39.859 39.000 -0.614 0.000 1.159 189 F HN 0.283 nan 8.300 nan 0.000 0.595 190 P HA 0.246 nan 4.420 nan 0.000 0.286 190 P C -0.642 176.840 177.300 0.303 0.000 1.261 190 P CA -0.530 62.664 63.100 0.157 0.000 0.821 190 P CB 0.975 32.616 31.700 -0.098 0.000 1.013 191 R N 0.832 121.576 120.500 0.406 0.000 2.637 191 R HA 0.502 4.842 4.340 -0.001 0.000 0.269 191 R C -0.268 176.131 176.300 0.166 0.000 1.089 191 R CA -0.709 55.594 56.100 0.337 0.000 1.177 191 R CB 0.406 30.827 30.300 0.202 0.000 1.091 191 R HN 0.291 nan 8.270 nan 0.000 0.540 192 V N 0.985 120.979 119.914 0.133 0.000 2.680 192 V HA 0.297 4.417 4.120 -0.001 0.000 0.309 192 V C -0.020 176.098 176.094 0.040 0.000 1.052 192 V CA -0.741 61.619 62.300 0.100 0.000 0.908 192 V CB 1.488 33.402 31.823 0.152 0.000 1.001 192 V HN 0.780 nan 8.190 nan 0.000 0.431 193 Y N 1.738 122.054 120.300 0.028 0.000 2.569 193 Y HA 0.454 5.004 4.550 -0.001 0.000 0.332 193 Y C 1.247 177.156 175.900 0.016 0.000 1.120 193 Y CA -0.004 58.103 58.100 0.013 0.000 1.416 193 Y CB -0.509 37.955 38.460 0.007 0.000 1.210 193 Y HN 1.027 nan 8.280 nan 0.000 0.528 194 K N 1.705 122.110 120.400 0.008 0.000 2.032 194 K HA -0.199 4.120 4.320 -0.001 0.000 0.209 194 K C 1.389 178.002 176.600 0.022 0.000 1.048 194 K CA 2.315 58.608 56.287 0.011 0.000 0.927 194 K CB -1.014 31.491 32.500 0.007 0.000 0.712 194 K HN 0.939 nan 8.250 nan 0.000 0.441 195 D N 0.229 120.640 120.400 0.018 0.000 2.085 195 D HA -0.139 4.500 4.640 -0.001 0.000 0.199 195 D C 2.123 178.437 176.300 0.024 0.000 0.981 195 D CA 1.985 55.997 54.000 0.020 0.000 0.834 195 D CB -0.568 40.240 40.800 0.014 0.000 0.992 195 D HN 0.475 nan 8.370 nan 0.000 0.457 196 S N -0.150 115.562 115.700 0.020 0.000 2.453 196 S HA 0.078 4.548 4.470 -0.001 0.000 0.231 196 S C 2.076 176.694 174.600 0.031 0.000 1.005 196 S CA 1.228 59.441 58.200 0.022 0.000 0.949 196 S CB -0.839 62.370 63.200 0.015 0.000 0.774 196 S HN 1.257 nan 8.310 nan 0.000 0.510 197 L N -1.675 119.570 121.223 0.036 0.000 4.001 197 L HA 0.052 4.391 4.340 -0.001 0.000 0.413 197 L C 0.571 177.477 176.870 0.059 0.000 1.185 197 L CA 1.326 56.195 54.840 0.050 0.000 0.963 197 L CB -2.868 39.226 42.059 0.059 0.000 1.976 197 L HN 1.269 nan 8.230 nan 0.000 0.939 198 L N -2.398 118.854 121.223 0.047 0.000 2.322 198 L HA 1.001 5.341 4.340 -0.001 0.000 0.279 198 L C -0.821 176.079 176.870 0.049 0.000 1.036 198 L CA -1.621 53.248 54.840 0.049 0.000 0.807 198 L CB 0.396 42.471 42.059 0.027 0.000 1.226 198 L HN 0.342 nan 8.230 nan 0.000 0.433 199 P HA 0.143 nan 4.420 nan 0.000 0.266 199 P C 1.143 178.429 177.300 -0.024 0.000 1.186 199 P CA 0.063 63.180 63.100 0.028 0.000 0.767 199 P CB 0.644 32.350 31.700 0.010 0.000 0.820 200 V N 3.196 123.079 119.914 -0.052 0.000 2.283 200 V HA -0.021 4.098 4.120 -0.001 0.000 0.243 200 V C -1.165 174.824 176.094 -0.175 0.000 1.039 200 V CA 1.806 64.048 62.300 -0.096 0.000 1.016 200 V CB -2.054 29.718 31.823 -0.085 0.000 0.650 200 V HN 0.692 nan 8.190 nan 0.000 0.449 201 P HA 0.273 nan 4.420 nan 0.000 0.278 201 P C -0.015 177.150 177.300 -0.225 0.000 1.266 201 P CA 0.194 63.072 63.100 -0.370 0.000 0.807 201 P CB 1.514 32.758 31.700 -0.760 0.000 1.094 202 T N -2.035 112.396 114.554 -0.204 0.000 3.058 202 T HA 0.118 4.467 4.350 -0.001 0.000 0.247 202 T C 0.442 175.084 174.700 -0.097 0.000 0.987 202 T CA 0.344 62.374 62.100 -0.118 0.000 1.062 202 T CB 0.107 68.918 68.868 -0.096 0.000 1.048 202 T HN 0.421 nan 8.240 nan 0.000 0.468 203 E N 1.040 121.143 120.200 -0.163 0.000 2.254 203 E HA 0.289 4.638 4.350 -0.001 0.000 0.261 203 E C 0.407 176.937 176.600 -0.116 0.000 1.051 203 E CA -0.628 55.677 56.400 -0.159 0.000 0.902 203 E CB 0.709 30.221 29.700 -0.313 0.000 1.168 203 E HN 0.454 nan 8.360 nan 0.000 0.423 204 Y N -0.392 119.972 120.300 0.106 0.000 2.446 204 Y HA -0.129 4.421 4.550 -0.001 0.000 0.287 204 Y C 1.037 177.142 175.900 0.342 0.000 1.159 204 Y CA 1.535 59.785 58.100 0.250 0.000 1.297 204 Y CB -0.081 38.453 38.460 0.123 0.000 0.974 204 Y HN 0.479 nan 8.280 nan 0.000 0.557 205 D N -0.522 119.658 120.400 -0.366 0.000 2.453 205 D HA 0.076 4.716 4.640 -0.001 0.000 0.256 205 D C -0.008 176.084 176.300 -0.346 0.000 1.152 205 D CA 0.532 54.412 54.000 -0.200 0.000 0.818 205 D CB 0.187 40.877 40.800 -0.184 0.000 1.259 205 D HN 0.254 nan 8.370 nan 0.000 0.531 206 S N 1.482 116.929 115.700 -0.422 0.000 2.810 206 S HA 0.029 4.499 4.470 -0.001 0.000 0.329 206 S C -2.191 172.168 174.600 -0.401 0.000 1.231 206 S CA -0.827 57.160 58.200 -0.355 0.000 1.042 206 S CB -0.112 62.898 63.200 -0.316 0.000 0.756 206 S HN 0.035 nan 8.310 nan 0.000 0.504 207 P HA -0.192 nan 4.420 nan 0.000 0.271 207 P C 1.110 178.251 177.300 -0.266 0.000 1.138 207 P CA 1.396 64.365 63.100 -0.219 0.000 0.751 207 P CB -0.088 31.509 31.700 -0.173 0.000 0.723 208 L N 0.953 122.104 121.223 -0.121 0.000 2.549 208 L HA -0.030 4.310 4.340 -0.001 0.000 0.229 208 L C 2.117 179.004 176.870 0.029 0.000 1.158 208 L CA 2.566 57.393 54.840 -0.021 0.000 0.842 208 L CB -2.165 39.947 42.059 0.087 0.000 0.952 208 L HN 0.600 nan 8.230 nan 0.000 0.452 209 D N -0.916 119.464 120.400 -0.033 0.000 2.277 209 D HA 0.251 4.890 4.640 -0.001 0.000 0.208 209 D C 2.219 178.506 176.300 -0.021 0.000 0.962 209 D CA 1.290 55.294 54.000 0.007 0.000 0.865 209 D CB -0.080 40.709 40.800 -0.018 0.000 0.939 209 D HN 0.850 nan 8.370 nan 0.000 0.510 210 A N -0.828 121.875 122.820 -0.195 0.000 2.123 210 A HA 0.359 4.679 4.320 -0.001 0.000 0.214 210 A C 0.767 178.235 177.584 -0.194 0.000 1.152 210 A CA -0.095 51.769 52.037 -0.289 0.000 0.728 210 A CB -0.299 18.378 19.000 -0.539 0.000 0.814 210 A HN 0.618 nan 8.150 nan 0.000 0.464 211 W N -1.219 120.069 121.300 -0.020 0.000 2.298 211 W HA 0.522 5.182 4.660 -0.000 0.000 0.358 211 W C -0.142 176.552 176.519 0.292 0.000 1.241 211 W CA -0.922 56.379 57.345 -0.074 0.000 1.385 211 W CB 0.549 29.673 29.460 -0.559 0.000 1.225 211 W HN 0.330 nan 8.180 nan 0.000 0.654 212 Y N -1.140 119.505 120.300 0.576 0.000 2.521 212 Y HA 0.478 5.027 4.550 -0.001 0.000 0.328 212 Y C -3.171 173.050 175.900 0.536 0.000 1.151 212 Y CA -3.609 54.837 58.100 0.577 0.000 1.054 212 Y CB 0.746 39.390 38.460 0.306 0.000 1.338 212 Y HN 0.045 nan 8.280 nan 0.000 0.453 213 P HA 0.296 nan 4.420 nan 0.000 0.287 213 P C -2.561 174.805 177.300 0.111 0.000 1.281 213 P CA -1.967 61.217 63.100 0.141 0.000 0.781 213 P CB 1.208 32.888 31.700 -0.033 0.000 0.903 214 P HA 0.147 nan 4.420 nan 0.000 0.235 214 P C 0.472 177.745 177.300 -0.044 0.000 1.725 214 P CA 0.339 63.395 63.100 -0.074 0.000 0.894 214 P CB -0.470 30.759 31.700 -0.784 0.000 1.704 215 G N 2.160 110.974 108.800 0.022 0.000 2.787 215 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.685 215 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.685 215 G C 0.560 175.452 174.900 -0.014 0.000 1.437 215 G CA -0.257 44.867 45.100 0.039 0.000 0.872 215 G HN 0.544 nan 8.290 nan 0.000 0.566 216 H N 0.364 119.394 119.070 -0.067 0.000 2.563 216 H HA 0.113 4.669 4.556 -0.001 0.000 0.272 216 H C 2.131 177.384 175.328 -0.126 0.000 1.005 216 H CA 1.379 57.362 56.048 -0.107 0.000 1.171 216 H CB -0.637 29.058 29.762 -0.111 0.000 1.351 216 H HN 0.923 nan 8.280 nan 0.000 0.602 217 G N 0.856 109.490 108.800 -0.276 0.000 2.511 217 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.217 217 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.217 217 G C 1.365 176.226 174.900 -0.066 0.000 1.133 217 G CA 0.418 45.436 45.100 -0.137 0.000 0.792 217 G HN 0.392 nan 8.290 nan 0.000 0.539 218 D N 0.360 120.707 120.400 -0.087 0.000 2.350 218 D HA -0.079 4.560 4.640 -0.001 0.000 0.216 218 D C 2.377 178.653 176.300 -0.039 0.000 0.968 218 D CA 0.207 54.179 54.000 -0.047 0.000 0.894 218 D CB 0.074 40.801 40.800 -0.122 0.000 0.909 218 D HN 0.217 nan 8.370 nan 0.000 0.520 219 L N 0.659 121.769 121.223 -0.189 0.000 1.976 219 L HA -0.285 4.055 4.340 -0.001 0.000 0.223 219 L C 1.884 178.694 176.870 -0.101 0.000 1.081 219 L CA 2.023 56.732 54.840 -0.218 0.000 0.784 219 L CB -1.418 40.364 42.059 -0.461 0.000 0.896 219 L HN -0.059 nan 8.230 nan 0.000 0.438 220 F N 0.384 120.426 119.950 0.152 0.000 2.011 220 F HA -0.166 4.361 4.527 -0.001 0.000 0.296 220 F C 2.926 178.816 175.800 0.151 0.000 1.144 220 F CA 2.088 60.181 58.000 0.155 0.000 1.185 220 F CB -1.863 37.249 39.000 0.186 0.000 0.961 220 F HN 0.250 nan 8.300 nan 0.000 0.485 221 E N 0.666 121.097 120.200 0.385 0.000 2.200 221 E HA -0.323 4.026 4.350 -0.001 0.000 0.211 221 E C 2.034 178.762 176.600 0.214 0.000 1.048 221 E CA 2.665 59.235 56.400 0.284 0.000 0.851 221 E CB -1.575 28.274 29.700 0.249 0.000 0.747 221 E HN 0.583 nan 8.360 nan 0.000 0.462 222 S N -0.566 115.239 115.700 0.174 0.000 2.458 222 S HA 0.189 4.658 4.470 -0.001 0.000 0.223 222 S C 2.045 176.667 174.600 0.037 0.000 1.019 222 S CA 0.776 59.058 58.200 0.138 0.000 0.937 222 S CB -0.005 63.315 63.200 0.199 0.000 0.788 222 S HN 0.366 nan 8.310 nan 0.000 0.511 223 L N 1.853 123.093 121.223 0.028 0.000 2.131 223 L HA -0.039 4.301 4.340 -0.001 0.000 0.210 223 L C 2.433 179.255 176.870 -0.080 0.000 1.092 223 L CA 1.816 56.540 54.840 -0.193 0.000 0.759 223 L CB -0.719 41.336 42.059 -0.007 0.000 0.903 223 L HN 0.436 nan 8.230 nan 0.000 0.435 224 H N -1.384 117.664 119.070 -0.037 0.000 2.307 224 H HA -0.047 4.509 4.556 -0.000 0.000 0.303 224 H C 2.088 177.394 175.328 -0.038 0.000 1.073 224 H CA 2.053 58.091 56.048 -0.016 0.000 1.338 224 H CB -0.428 29.359 29.762 0.041 0.000 1.389 224 H HN 0.113 nan 8.280 nan 0.000 0.503 225 V N 0.961 120.765 119.914 -0.185 0.000 2.568 225 V HA -0.239 3.881 4.120 -0.001 0.000 0.253 225 V C 2.622 178.624 176.094 -0.153 0.000 1.072 225 V CA 1.851 64.013 62.300 -0.232 0.000 1.084 225 V CB -0.816 30.945 31.823 -0.103 0.000 0.676 225 V HN 0.685 nan 8.190 nan 0.000 0.469 226 S N -0.167 115.442 115.700 -0.151 0.000 2.348 226 S HA 0.203 4.673 4.470 -0.001 0.000 0.219 226 S C 1.788 176.304 174.600 -0.140 0.000 1.033 226 S CA 1.054 59.157 58.200 -0.162 0.000 0.974 226 S CB 0.147 63.141 63.200 -0.343 0.000 0.868 226 S HN 1.136 nan 8.310 nan 0.000 0.459 227 G N -0.055 108.659 108.800 -0.144 0.000 2.192 227 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.193 227 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.193 227 G C 0.697 175.550 174.900 -0.078 0.000 0.999 227 G CA 1.025 46.085 45.100 -0.067 0.000 0.659 227 G HN 0.879 nan 8.290 nan 0.000 0.503 228 E N -0.062 120.037 120.200 -0.169 0.000 2.204 228 E HA 0.272 4.621 4.350 -0.001 0.000 0.194 228 E C 2.381 178.937 176.600 -0.074 0.000 0.989 228 E CA 1.721 58.038 56.400 -0.139 0.000 0.824 228 E CB -0.207 29.345 29.700 -0.246 0.000 0.756 228 E HN 1.102 nan 8.360 nan 0.000 0.477 229 L N 1.398 122.583 121.223 -0.064 0.000 2.012 229 L HA -0.119 4.220 4.340 -0.001 0.000 0.210 229 L C 1.771 178.654 176.870 0.021 0.000 1.073 229 L CA 2.837 57.681 54.840 0.006 0.000 0.748 229 L CB -0.533 41.557 42.059 0.051 0.000 0.891 229 L HN 0.339 nan 8.230 nan 0.000 0.431 230 D N -0.349 120.067 120.400 0.027 0.000 2.097 230 D HA -0.148 4.491 4.640 -0.001 0.000 0.195 230 D C 2.210 178.520 176.300 0.016 0.000 0.989 230 D CA 1.543 55.559 54.000 0.027 0.000 0.827 230 D CB -0.238 40.583 40.800 0.035 0.000 0.966 230 D HN 0.508 nan 8.370 nan 0.000 0.456 231 A N 0.579 123.403 122.820 0.006 0.000 1.902 231 A HA -0.047 4.273 4.320 -0.001 0.000 0.217 231 A C 2.542 180.135 177.584 0.015 0.000 1.181 231 A CA 2.102 54.144 52.037 0.007 0.000 0.623 231 A CB -1.319 17.680 19.000 -0.001 0.000 0.818 231 A HN 0.269 nan 8.150 nan 0.000 0.443 232 L N -0.188 121.044 121.223 0.016 0.000 1.994 232 L HA 0.097 4.437 4.340 -0.001 0.000 0.208 232 L C 3.095 179.984 176.870 0.033 0.000 1.071 232 L CA 2.986 57.843 54.840 0.028 0.000 0.745 232 L CB -2.213 39.867 42.059 0.034 0.000 0.892 232 L HN 0.764 nan 8.230 nan 0.000 0.431 233 I N -0.679 119.910 120.570 0.032 0.000 2.099 233 I HA -0.024 4.146 4.170 -0.001 0.000 0.239 233 I C 3.074 179.205 176.117 0.025 0.000 1.066 233 I CA 3.184 64.502 61.300 0.030 0.000 1.324 233 I CB -1.816 36.201 38.000 0.027 0.000 1.037 233 I HN 0.844 nan 8.210 nan 0.000 0.401 234 A N -0.423 122.409 122.820 0.021 0.000 1.971 234 A HA -0.181 4.139 4.320 -0.001 0.000 0.222 234 A C 2.239 179.834 177.584 0.019 0.000 1.182 234 A CA 3.146 55.193 52.037 0.018 0.000 0.649 234 A CB -1.135 17.874 19.000 0.016 0.000 0.818 234 A HN 1.637 nan 8.150 nan 0.000 0.458 235 Q N -1.714 118.099 119.800 0.022 0.000 2.204 235 Q HA 0.435 4.774 4.340 -0.001 0.000 0.209 235 Q C 1.436 177.451 176.000 0.026 0.000 0.861 235 Q CA 1.027 56.844 55.803 0.023 0.000 0.971 235 Q CB -0.944 27.808 28.738 0.024 0.000 1.095 235 Q HN 2.236 nan 8.270 nan 0.000 0.486 236 G N 0.991 109.807 108.800 0.027 0.000 2.147 236 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.244 236 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.244 236 G C 0.061 174.983 174.900 0.037 0.000 1.005 236 G CA 0.052 45.169 45.100 0.029 0.000 0.713 236 G HN 0.469 nan 8.290 nan 0.000 0.515 237 R N 0.434 120.959 120.500 0.042 0.000 2.234 237 R HA 0.400 4.739 4.340 -0.001 0.000 0.324 237 R C 1.004 177.340 176.300 0.061 0.000 1.054 237 R CA -0.269 55.863 56.100 0.054 0.000 0.912 237 R CB 0.894 31.228 30.300 0.056 0.000 1.030 237 R HN 0.573 nan 8.270 nan 0.000 0.455 238 E N 1.746 121.987 120.200 0.069 0.000 2.127 238 E HA 0.125 4.475 4.350 -0.001 0.000 0.191 238 E C 0.128 176.788 176.600 0.101 0.000 0.964 238 E CA 0.733 57.179 56.400 0.076 0.000 0.832 238 E CB 0.357 30.097 29.700 0.067 0.000 0.790 238 E HN 0.422 nan 8.360 nan 0.000 0.465 239 I N 1.848 122.490 120.570 0.120 0.000 2.436 239 I HA 0.222 4.392 4.170 -0.001 0.000 0.289 239 I C -0.515 175.695 176.117 0.156 0.000 1.010 239 I CA -0.575 60.819 61.300 0.157 0.000 1.098 239 I CB 2.124 40.254 38.000 0.216 0.000 1.266 239 I HN -0.064 nan 8.210 nan 0.000 0.434 240 L N 5.464 126.757 121.223 0.117 0.000 2.331 240 L HA 0.256 4.595 4.340 -0.001 0.000 0.278 240 L C -0.670 176.223 176.870 0.039 0.000 1.106 240 L CA -0.232 54.647 54.840 0.065 0.000 0.824 240 L CB 0.968 43.040 42.059 0.021 0.000 1.142 240 L HN 0.546 nan 8.230 nan 0.000 0.443 241 F N 5.626 125.428 119.950 -0.247 0.000 2.334 241 F HA 0.354 4.881 4.527 -0.000 0.000 0.343 241 F C -0.392 175.117 175.800 -0.485 0.000 1.136 241 F CA -0.868 56.767 58.000 -0.609 0.000 1.237 241 F CB 0.338 38.813 39.000 -0.874 0.000 1.525 241 F HN -0.008 nan 8.300 nan 0.000 0.528 242 V N 4.297 123.849 119.914 -0.604 0.000 2.614 242 V HA 0.496 4.615 4.120 -0.001 0.000 0.291 242 V C 0.181 175.856 176.094 -0.699 0.000 1.049 242 V CA 0.215 62.186 62.300 -0.548 0.000 1.038 242 V CB 0.859 32.489 31.823 -0.321 0.000 0.980 242 V HN 0.815 nan 8.190 nan 0.000 0.481 243 S N 3.388 118.733 115.700 -0.591 0.000 2.607 243 S HA 0.495 4.964 4.470 -0.001 0.000 0.273 243 S C -0.777 173.628 174.600 -0.325 0.000 1.148 243 S CA -1.138 56.785 58.200 -0.462 0.000 0.833 243 S CB 1.427 64.292 63.200 -0.559 0.000 1.130 243 S HN 0.584 nan 8.310 nan 0.000 0.470 244 N N 0.272 118.823 118.700 -0.249 0.000 2.344 244 N HA 0.128 4.867 4.740 -0.001 0.000 0.236 244 N C 1.491 176.834 175.510 -0.279 0.000 1.279 244 N CA 0.750 53.650 53.050 -0.252 0.000 0.882 244 N CB 0.411 38.783 38.487 -0.192 0.000 1.110 244 N HN 0.899 nan 8.380 nan 0.000 0.436 245 G N 0.867 109.474 108.800 -0.320 0.000 2.433 245 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.216 245 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.216 245 G C 0.634 175.208 174.900 -0.543 0.000 1.186 245 G CA 0.892 45.759 45.100 -0.390 0.000 0.779 245 G HN 0.727 nan 8.290 nan 0.000 0.543 246 D N 0.100 120.152 120.400 -0.580 0.000 2.352 246 D HA 0.028 4.668 4.640 -0.001 0.000 0.236 246 D C 0.343 176.470 176.300 -0.287 0.000 1.148 246 D CA -0.531 53.060 54.000 -0.681 0.000 0.844 246 D CB -0.436 40.030 40.800 -0.557 0.000 0.933 246 D HN 0.105 nan 8.370 nan 0.000 0.507 247 N N 0.307 118.881 118.700 -0.210 0.000 2.426 247 N HA 0.217 4.957 4.740 -0.001 0.000 0.257 247 N C 0.771 176.248 175.510 -0.055 0.000 1.002 247 N CA -0.250 52.728 53.050 -0.120 0.000 0.942 247 N CB 1.261 39.714 38.487 -0.058 0.000 1.112 247 N HN 0.178 nan 8.380 nan 0.000 0.499 248 L N 2.386 123.581 121.223 -0.045 0.000 2.529 248 L HA 0.409 4.748 4.340 -0.001 0.000 0.223 248 L C 1.794 178.632 176.870 -0.054 0.000 1.113 248 L CA 1.244 56.062 54.840 -0.037 0.000 0.861 248 L CB -0.866 41.139 42.059 -0.090 0.000 1.012 248 L HN 0.646 nan 8.230 nan 0.000 0.461 249 G N -1.332 107.450 108.800 -0.030 0.000 3.042 249 G HA2 0.359 4.319 3.960 -0.001 0.000 0.212 249 G HA3 0.359 4.319 3.960 -0.001 0.000 0.212 249 G C 1.036 175.989 174.900 0.088 0.000 1.166 249 G CA 0.683 45.796 45.100 0.022 0.000 0.767 249 G HN 0.918 nan 8.290 nan 0.000 0.546 250 A N 1.852 124.723 122.820 0.084 0.000 3.046 250 A HA 0.471 4.790 4.320 -0.001 0.000 0.259 250 A C 1.296 179.045 177.584 0.275 0.000 1.843 250 A CA 0.414 52.544 52.037 0.155 0.000 1.451 250 A CB -1.262 17.726 19.000 -0.020 0.000 1.025 250 A HN 0.389 nan 8.150 nan 0.000 0.625 251 T N -2.219 112.491 114.554 0.259 0.000 2.788 251 T HA 0.417 4.767 4.350 -0.001 0.000 0.280 251 T C 0.143 174.973 174.700 0.216 0.000 0.984 251 T CA -0.605 61.637 62.100 0.237 0.000 0.972 251 T CB 0.858 69.816 68.868 0.151 0.000 1.039 251 T HN 0.162 nan 8.240 nan 0.000 0.530 252 V N 2.492 122.473 119.914 0.111 0.000 2.427 252 V HA 0.219 4.339 4.120 -0.001 0.000 0.268 252 V C 0.299 176.430 176.094 0.061 0.000 1.046 252 V CA -0.207 62.042 62.300 -0.085 0.000 0.970 252 V CB 0.611 32.453 31.823 0.030 0.000 1.001 252 V HN 0.939 nan 8.190 nan 0.000 0.476 253 D N 4.922 125.390 120.400 0.113 0.000 2.412 253 D HA 0.283 4.923 4.640 -0.001 0.000 0.224 253 D C 0.948 177.236 176.300 -0.020 0.000 1.093 253 D CA -0.254 53.803 54.000 0.095 0.000 0.850 253 D CB 1.347 42.228 40.800 0.135 0.000 1.046 253 D HN 0.373 nan 8.370 nan 0.000 0.507 254 L N 3.474 124.694 121.223 -0.005 0.000 2.017 254 L HA -0.197 4.143 4.340 -0.001 0.000 0.208 254 L C 2.848 179.642 176.870 -0.127 0.000 1.073 254 L CA 1.617 56.417 54.840 -0.065 0.000 0.745 254 L CB -0.880 41.155 42.059 -0.040 0.000 0.894 254 L HN 0.434 nan 8.230 nan 0.000 0.432 255 K N 0.735 121.078 120.400 -0.095 0.000 2.144 255 K HA -0.222 4.097 4.320 -0.001 0.000 0.209 255 K C 1.751 178.231 176.600 -0.200 0.000 1.047 255 K CA 2.337 58.544 56.287 -0.133 0.000 0.927 255 K CB -1.197 31.225 32.500 -0.129 0.000 0.716 255 K HN 0.393 nan 8.250 nan 0.000 0.454 256 I N -0.699 119.705 120.570 -0.276 0.000 2.277 256 I HA -0.106 4.064 4.170 -0.001 0.000 0.243 256 I C 2.496 178.277 176.117 -0.559 0.000 1.094 256 I CA 0.727 61.754 61.300 -0.454 0.000 1.393 256 I CB -0.077 37.542 38.000 -0.635 0.000 1.078 256 I HN 0.299 nan 8.210 nan 0.000 0.417 257 L N 1.931 122.764 121.223 -0.650 0.000 1.997 257 L HA -0.333 4.007 4.340 -0.001 0.000 0.216 257 L C 2.558 179.289 176.870 -0.232 0.000 1.074 257 L CA 2.871 57.430 54.840 -0.467 0.000 0.763 257 L CB -1.368 40.545 42.059 -0.244 0.000 0.890 257 L HN 0.411 nan 8.230 nan 0.000 0.434 258 N N -1.955 116.645 118.700 -0.167 0.000 2.142 258 N HA -0.282 4.457 4.740 -0.001 0.000 0.186 258 N C 2.082 177.540 175.510 -0.086 0.000 1.023 258 N CA 1.404 54.390 53.050 -0.107 0.000 0.852 258 N CB -1.188 37.245 38.487 -0.090 0.000 0.998 258 N HN 0.778 nan 8.380 nan 0.000 0.424 259 H N -0.252 118.716 119.070 -0.171 0.000 2.321 259 H HA -0.120 4.435 4.556 -0.001 0.000 0.295 259 H C 2.126 177.395 175.328 -0.097 0.000 1.102 259 H CA 2.064 58.033 56.048 -0.131 0.000 1.266 259 H CB -0.343 29.330 29.762 -0.148 0.000 1.363 259 H HN 0.462 nan 8.280 nan 0.000 0.492 260 M N -0.073 119.515 119.600 -0.021 0.000 2.213 260 M HA -0.143 4.336 4.480 -0.001 0.000 0.263 260 M C 2.283 178.547 176.300 -0.060 0.000 1.062 260 M CA 1.287 56.570 55.300 -0.027 0.000 1.105 260 M CB -0.118 32.418 32.600 -0.107 0.000 1.385 260 M HN 0.312 nan 8.290 nan 0.000 0.417 261 I N -0.034 120.487 120.570 -0.082 0.000 2.867 261 I HA -0.112 4.058 4.170 -0.001 0.000 0.265 261 I C 2.621 178.694 176.117 -0.074 0.000 1.162 261 I CA 1.104 62.371 61.300 -0.055 0.000 1.471 261 I CB -0.200 37.774 38.000 -0.043 0.000 1.123 261 I HN 0.314 nan 8.210 nan 0.000 0.440 262 E N 0.237 120.369 120.200 -0.114 0.000 2.110 262 E HA -0.278 4.072 4.350 -0.001 0.000 0.193 262 E C 2.072 178.586 176.600 -0.143 0.000 0.988 262 E CA 1.947 58.273 56.400 -0.123 0.000 0.804 262 E CB -1.512 28.104 29.700 -0.140 0.000 0.745 262 E HN 0.651 nan 8.360 nan 0.000 0.458 263 T N -4.013 110.418 114.554 -0.204 0.000 3.067 263 T HA 0.332 4.682 4.350 -0.001 0.000 0.261 263 T C 2.074 176.729 174.700 -0.074 0.000 1.110 263 T CA 1.135 63.127 62.100 -0.181 0.000 1.113 263 T CB -0.061 68.643 68.868 -0.273 0.000 0.917 263 T HN 1.456 nan 8.240 nan 0.000 0.499 264 G N 1.798 110.572 108.800 -0.044 0.000 2.200 264 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.267 264 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.267 264 G C 0.365 175.299 174.900 0.057 0.000 0.993 264 G CA 0.211 45.315 45.100 0.007 0.000 0.701 264 G HN 1.280 nan 8.290 nan 0.000 0.524 265 A N -0.364 122.509 122.820 0.089 0.000 2.511 265 A HA 0.518 4.838 4.320 -0.001 0.000 0.242 265 A C 1.081 178.781 177.584 0.193 0.000 1.069 265 A CA 1.029 53.175 52.037 0.182 0.000 0.763 265 A CB 0.221 19.418 19.000 0.328 0.000 1.001 265 A HN 0.555 nan 8.150 nan 0.000 0.498 266 E N -0.018 120.331 120.200 0.248 0.000 2.478 266 E HA 0.095 4.445 4.350 -0.001 0.000 0.194 266 E C -1.004 175.783 176.600 0.312 0.000 1.045 266 E CA 0.578 57.156 56.400 0.297 0.000 0.868 266 E CB 0.269 30.200 29.700 0.386 0.000 0.885 266 E HN 0.659 nan 8.360 nan 0.000 0.505 267 Y N 0.253 120.613 120.300 0.099 0.000 2.313 267 Y HA 0.317 4.867 4.550 -0.001 0.000 0.320 267 Y C -1.605 174.288 175.900 -0.011 0.000 1.171 267 Y CA -0.726 57.352 58.100 -0.036 0.000 1.093 267 Y CB 0.973 39.274 38.460 -0.265 0.000 1.224 267 Y HN -0.197 nan 8.280 nan 0.000 0.421 268 I N 7.304 127.989 120.570 0.191 0.000 2.406 268 I HA 0.415 4.584 4.170 -0.001 0.000 0.290 268 I C -0.679 175.588 176.117 0.250 0.000 0.999 268 I CA -0.808 60.564 61.300 0.119 0.000 1.124 268 I CB 1.966 39.933 38.000 -0.055 0.000 1.289 268 I HN 0.639 nan 8.210 nan 0.000 0.441 269 M N 6.779 126.508 119.600 0.215 0.000 2.149 269 M HA 0.365 4.844 4.480 -0.001 0.000 0.342 269 M C -0.732 175.640 176.300 0.119 0.000 1.068 269 M CA -0.397 55.032 55.300 0.215 0.000 0.991 269 M CB 0.967 33.693 32.600 0.210 0.000 1.596 269 M HN 0.473 nan 8.290 nan 0.000 0.439 270 E N 6.173 126.454 120.200 0.134 0.000 2.223 270 E HA 0.369 4.719 4.350 -0.001 0.000 0.282 270 E C -1.262 175.300 176.600 -0.062 0.000 1.046 270 E CA -0.174 56.273 56.400 0.077 0.000 0.857 270 E CB 0.933 30.732 29.700 0.165 0.000 1.055 270 E HN 0.654 nan 8.360 nan 0.000 0.409 271 L N 2.102 123.267 121.223 -0.097 0.000 2.342 271 L HA 0.555 4.895 4.340 -0.001 0.000 0.271 271 L C 0.138 176.850 176.870 -0.263 0.000 1.008 271 L CA -0.732 53.984 54.840 -0.207 0.000 0.818 271 L CB 2.144 44.143 42.059 -0.101 0.000 1.296 271 L HN 0.396 nan 8.230 nan 0.000 0.427 272 T N -0.419 113.850 114.554 -0.474 0.000 2.906 272 T HA 0.318 4.668 4.350 -0.001 0.000 0.295 272 T C -1.048 173.507 174.700 -0.242 0.000 1.075 272 T CA -0.606 61.275 62.100 -0.366 0.000 1.005 272 T CB 1.450 70.070 68.868 -0.413 0.000 1.136 272 T HN 0.576 nan 8.240 nan 0.000 0.498 273 D N 2.366 122.731 120.400 -0.058 0.000 2.478 273 D HA 0.406 5.045 4.640 -0.001 0.000 0.234 273 D C 0.320 176.746 176.300 0.211 0.000 1.154 273 D CA 0.571 54.606 54.000 0.058 0.000 0.874 273 D CB 0.344 41.177 40.800 0.055 0.000 1.198 273 D HN 0.638 nan 8.370 nan 0.000 0.455 274 K N 0.731 121.273 120.400 0.237 0.000 2.172 274 K HA 0.624 4.944 4.320 -0.001 0.000 0.276 274 K C 0.293 176.967 176.600 0.124 0.000 1.013 274 K CA -0.770 55.668 56.287 0.252 0.000 0.913 274 K CB 0.667 33.257 32.500 0.150 0.000 1.055 274 K HN 0.598 nan 8.250 nan 0.000 0.461 275 T N -2.693 111.914 114.554 0.090 0.000 2.927 275 T HA 0.592 4.942 4.350 -0.001 0.000 0.286 275 T C 1.752 176.453 174.700 0.002 0.000 1.040 275 T CA 0.314 62.443 62.100 0.049 0.000 1.010 275 T CB 1.400 70.306 68.868 0.064 0.000 1.177 275 T HN 1.024 nan 8.240 nan 0.000 0.546 276 R N 0.300 120.803 120.500 0.004 0.000 2.208 276 R HA -0.131 4.208 4.340 -0.001 0.000 0.262 276 R C 2.401 178.682 176.300 -0.031 0.000 1.166 276 R CA 2.798 58.892 56.100 -0.010 0.000 0.987 276 R CB -2.094 28.208 30.300 0.002 0.000 0.887 276 R HN 1.224 nan 8.270 nan 0.000 0.459 277 A N 0.830 123.632 122.820 -0.031 0.000 2.251 277 A HA 0.202 4.522 4.320 -0.001 0.000 0.209 277 A C 0.284 177.810 177.584 -0.096 0.000 1.187 277 A CA 0.725 52.734 52.037 -0.047 0.000 0.823 277 A CB 0.229 19.214 19.000 -0.025 0.000 0.846 277 A HN 0.714 nan 8.150 nan 0.000 0.486 278 D N -0.021 120.292 120.400 -0.146 0.000 2.997 278 D HA 0.140 4.780 4.640 -0.001 0.000 0.362 278 D C 0.852 176.978 176.300 -0.289 0.000 1.298 278 D CA 0.342 54.160 54.000 -0.303 0.000 0.756 278 D CB -0.547 39.913 40.800 -0.567 0.000 1.216 278 D HN 0.155 nan 8.370 nan 0.000 0.496 279 V N -1.998 117.803 119.914 -0.189 0.000 2.379 279 V HA -0.014 4.105 4.120 -0.001 0.000 0.245 279 V C 2.133 178.091 176.094 -0.227 0.000 1.044 279 V CA 1.750 63.936 62.300 -0.191 0.000 1.036 279 V CB -1.232 30.514 31.823 -0.128 0.000 0.664 279 V HN 0.332 nan 8.190 nan 0.000 0.453 280 K N 1.474 121.784 120.400 -0.149 0.000 2.500 280 K HA 0.586 4.905 4.320 -0.001 0.000 0.206 280 K C 0.770 177.342 176.600 -0.047 0.000 1.034 280 K CA 0.461 56.712 56.287 -0.061 0.000 1.179 280 K CB -0.462 32.030 32.500 -0.012 0.000 0.884 280 K HN 0.767 nan 8.250 nan 0.000 0.493 281 G N -0.159 108.552 108.800 -0.148 0.000 2.507 281 G HA2 0.472 4.432 3.960 -0.001 0.000 0.271 281 G HA3 0.472 4.432 3.960 -0.001 0.000 0.271 281 G C 0.544 175.488 174.900 0.073 0.000 1.189 281 G CA 0.017 45.056 45.100 -0.102 0.000 0.859 281 G HN 0.573 nan 8.290 nan 0.000 0.542 282 G N -1.092 107.803 108.800 0.158 0.000 2.527 282 G HA2 0.467 4.427 3.960 -0.001 0.000 0.248 282 G HA3 0.467 4.427 3.960 -0.001 0.000 0.248 282 G C -0.126 174.924 174.900 0.251 0.000 1.231 282 G CA 0.308 45.539 45.100 0.219 0.000 0.838 282 G HN 0.736 nan 8.290 nan 0.000 0.570 283 T N -0.176 114.549 114.554 0.285 0.000 2.838 283 T HA 0.549 4.899 4.350 -0.001 0.000 0.292 283 T C -1.240 173.581 174.700 0.202 0.000 1.113 283 T CA -0.567 61.686 62.100 0.255 0.000 1.008 283 T CB 1.450 70.510 68.868 0.321 0.000 1.259 283 T HN 0.313 nan 8.240 nan 0.000 0.520 284 L N 3.096 124.415 121.223 0.160 0.000 2.317 284 L HA 0.812 5.151 4.340 -0.001 0.000 0.281 284 L C -0.771 176.167 176.870 0.114 0.000 1.024 284 L CA -0.543 54.360 54.840 0.106 0.000 0.810 284 L CB 1.041 43.145 42.059 0.074 0.000 1.240 284 L HN 0.675 nan 8.230 nan 0.000 0.427 285 I N 0.028 120.647 120.570 0.083 0.000 2.865 285 I HA 0.671 4.840 4.170 -0.001 0.000 0.302 285 I C -0.385 175.769 176.117 0.062 0.000 1.140 285 I CA -0.787 60.557 61.300 0.073 0.000 1.021 285 I CB 2.277 40.326 38.000 0.082 0.000 1.233 285 I HN 0.548 nan 8.210 nan 0.000 0.427 286 S N 2.965 118.697 115.700 0.053 0.000 2.513 286 S HA 0.600 5.069 4.470 -0.001 0.000 0.276 286 S C -0.972 173.699 174.600 0.118 0.000 1.254 286 S CA -0.296 57.940 58.200 0.061 0.000 1.053 286 S CB 0.585 63.799 63.200 0.023 0.000 0.958 286 S HN 0.722 nan 8.310 nan 0.000 0.491 287 Y N 0.838 121.109 120.300 -0.049 0.000 2.330 287 Y HA 0.392 4.942 4.550 -0.001 0.000 0.324 287 Y C 0.076 175.948 175.900 -0.047 0.000 1.093 287 Y CA 0.371 58.434 58.100 -0.061 0.000 1.103 287 Y CB 0.874 39.294 38.460 -0.067 0.000 1.183 287 Y HN 1.087 nan 8.280 nan 0.000 0.433 288 D N 3.065 123.201 120.400 -0.440 0.000 2.755 288 D HA 0.068 4.707 4.640 -0.001 0.000 0.227 288 D C 1.438 177.655 176.300 -0.139 0.000 1.211 288 D CA 1.977 55.777 54.000 -0.334 0.000 0.663 288 D CB -1.750 38.778 40.800 -0.454 0.000 0.983 288 D HN 2.174 nan 8.370 nan 0.000 0.407 289 G N -2.736 106.012 108.800 -0.085 0.000 2.299 289 G HA2 0.321 4.281 3.960 -0.001 0.000 0.237 289 G HA3 0.321 4.281 3.960 -0.001 0.000 0.237 289 G C 0.707 175.601 174.900 -0.009 0.000 1.027 289 G CA 1.562 46.637 45.100 -0.041 0.000 0.619 289 G HN 2.277 nan 8.290 nan 0.000 0.513 290 Q N -0.678 119.127 119.800 0.009 0.000 2.301 290 Q HA 0.985 5.324 4.340 -0.001 0.000 0.267 290 Q C 0.082 176.109 176.000 0.045 0.000 1.035 290 Q CA 0.109 55.929 55.803 0.028 0.000 0.856 290 Q CB 1.642 30.397 28.738 0.028 0.000 1.337 290 Q HN 2.123 nan 8.270 nan 0.000 0.450 291 V N 0.095 120.031 119.914 0.036 0.000 2.432 291 V HA 0.884 5.004 4.120 -0.001 0.000 0.271 291 V C 0.356 176.451 176.094 0.000 0.000 1.046 291 V CA 0.128 62.450 62.300 0.036 0.000 0.945 291 V CB 0.296 32.149 31.823 0.049 0.000 0.992 291 V HN 1.395 nan 8.190 nan 0.000 0.471 292 R N 2.967 123.468 120.500 0.002 0.000 2.912 292 R HA 0.996 5.335 4.340 -0.001 0.000 0.262 292 R C -0.477 175.803 176.300 -0.034 0.000 1.057 292 R CA 0.023 56.096 56.100 -0.046 0.000 0.981 292 R CB 1.099 31.366 30.300 -0.055 0.000 1.201 292 R HN 2.445 nan 8.270 nan 0.000 0.484 293 L N 0.816 122.012 121.223 -0.046 0.000 2.260 293 L HA 0.874 5.214 4.340 -0.001 0.000 0.289 293 L C 0.831 177.682 176.870 -0.032 0.000 1.057 293 L CA -0.489 54.348 54.840 -0.005 0.000 0.811 293 L CB 0.291 42.359 42.059 0.015 0.000 1.184 293 L HN 1.605 nan 8.230 nan 0.000 0.429 294 L N 2.243 123.455 121.223 -0.019 0.000 2.260 294 L HA 0.783 5.123 4.340 -0.001 0.000 0.289 294 L C 0.453 177.300 176.870 -0.037 0.000 1.057 294 L CA -0.833 53.942 54.840 -0.109 0.000 0.811 294 L CB -0.003 41.928 42.059 -0.213 0.000 1.184 294 L HN 0.893 nan 8.230 nan 0.000 0.429 295 E N 2.079 122.239 120.200 -0.067 0.000 2.254 295 E HA 0.436 4.785 4.350 -0.001 0.000 0.261 295 E C 1.623 178.151 176.600 -0.120 0.000 1.051 295 E CA 0.221 56.622 56.400 0.002 0.000 0.902 295 E CB 2.049 31.765 29.700 0.026 0.000 1.168 295 E HN 0.635 nan 8.360 nan 0.000 0.423 296 V N -0.837 119.086 119.914 0.013 0.000 2.380 296 V HA -0.269 3.850 4.120 -0.001 0.000 0.251 296 V C 2.009 178.058 176.094 -0.075 0.000 1.063 296 V CA 2.232 64.518 62.300 -0.022 0.000 1.055 296 V CB -1.310 30.580 31.823 0.112 0.000 0.657 296 V HN 0.695 nan 8.190 nan 0.000 0.455 297 A N -0.300 122.494 122.820 -0.044 0.000 2.019 297 A HA -0.210 4.109 4.320 -0.001 0.000 0.219 297 A C 2.094 179.639 177.584 -0.065 0.000 1.164 297 A CA 1.966 53.981 52.037 -0.037 0.000 0.644 297 A CB -0.542 18.451 19.000 -0.012 0.000 0.805 297 A HN 0.596 nan 8.150 nan 0.000 0.449 298 Q N -0.659 119.073 119.800 -0.113 0.000 2.432 298 Q HA 0.151 4.491 4.340 -0.001 0.000 0.205 298 Q C 0.124 176.044 176.000 -0.134 0.000 0.945 298 Q CA 0.247 55.971 55.803 -0.132 0.000 0.924 298 Q CB 0.046 28.677 28.738 -0.178 0.000 1.016 298 Q HN 0.436 nan 8.270 nan 0.000 0.503 299 V N 2.453 122.274 119.914 -0.155 0.000 2.498 299 V HA 0.227 4.347 4.120 -0.001 0.000 0.279 299 V C -2.177 173.919 176.094 0.003 0.000 1.048 299 V CA -2.098 60.151 62.300 -0.085 0.000 0.967 299 V CB 0.743 32.454 31.823 -0.188 0.000 0.988 299 V HN 0.049 nan 8.190 nan 0.000 0.473 300 P HA 0.166 nan 4.420 nan 0.000 0.264 300 P C 0.827 178.136 177.300 0.014 0.000 1.193 300 P CA 0.161 63.313 63.100 0.086 0.000 0.763 300 P CB 0.394 32.229 31.700 0.224 0.000 0.810 301 K N 2.715 123.100 120.400 -0.024 0.000 2.442 301 K HA -0.211 4.109 4.320 -0.001 0.000 0.200 301 K C 1.337 177.868 176.600 -0.115 0.000 1.045 301 K CA 1.806 58.060 56.287 -0.054 0.000 0.937 301 K CB -1.205 31.268 32.500 -0.044 0.000 0.757 301 K HN 0.580 nan 8.250 nan 0.000 0.474 302 E N -0.745 119.338 120.200 -0.195 0.000 2.481 302 E HA 0.013 4.363 4.350 -0.001 0.000 0.195 302 E C 1.189 177.422 176.600 -0.611 0.000 1.047 302 E CA 0.576 56.737 56.400 -0.398 0.000 0.867 302 E CB 0.271 29.658 29.700 -0.521 0.000 0.858 302 E HN 0.752 nan 8.360 nan 0.000 0.513 303 H N -1.424 117.472 119.070 -0.290 0.000 3.360 303 H HA 0.251 4.806 4.556 -0.001 0.000 0.262 303 H C 1.506 176.667 175.328 -0.279 0.000 1.149 303 H CA 0.048 55.806 56.048 -0.484 0.000 1.181 303 H CB 0.607 29.792 29.762 -0.962 0.000 1.564 303 H HN 0.130 nan 8.280 nan 0.000 0.565 304 I N 1.193 121.746 120.570 -0.027 0.000 2.454 304 I HA -0.161 4.008 4.170 -0.001 0.000 0.254 304 I C 2.256 178.405 176.117 0.054 0.000 1.156 304 I CA 1.625 62.967 61.300 0.069 0.000 1.433 304 I CB -0.608 37.430 38.000 0.064 0.000 1.082 304 I HN 0.191 nan 8.210 nan 0.000 0.432 305 D N 0.980 121.377 120.400 -0.006 0.000 2.403 305 D HA -0.127 4.513 4.640 -0.001 0.000 0.227 305 D C 1.806 178.128 176.300 0.035 0.000 0.995 305 D CA 1.240 55.240 54.000 -0.000 0.000 0.928 305 D CB -0.380 40.402 40.800 -0.030 0.000 0.887 305 D HN 0.639 nan 8.370 nan 0.000 0.529 306 E N -2.222 118.017 120.200 0.064 0.000 2.367 306 E HA 0.170 4.520 4.350 -0.001 0.000 0.204 306 E C 1.424 178.171 176.600 0.245 0.000 0.840 306 E CA -0.365 56.137 56.400 0.171 0.000 1.051 306 E CB 0.193 29.997 29.700 0.173 0.000 1.051 306 E HN 0.403 nan 8.360 nan 0.000 0.509 307 F N 2.772 122.692 119.950 -0.051 0.000 2.171 307 F HA -0.164 4.363 4.527 -0.001 0.000 0.300 307 F C 2.233 177.922 175.800 -0.185 0.000 1.090 307 F CA 2.092 59.893 58.000 -0.331 0.000 1.293 307 F CB -0.316 38.532 39.000 -0.253 0.000 1.013 307 F HN -0.097 nan 8.300 nan 0.000 0.486 308 K N 0.158 120.481 120.400 -0.128 0.000 2.459 308 K HA 0.025 4.345 4.320 -0.001 0.000 0.193 308 K C 0.767 177.337 176.600 -0.051 0.000 1.030 308 K CA 0.714 56.899 56.287 -0.171 0.000 1.026 308 K CB -1.533 30.917 32.500 -0.083 0.000 0.809 308 K HN 0.406 nan 8.250 nan 0.000 0.504 309 N N 1.486 120.217 118.700 0.052 0.000 2.399 309 N HA 0.030 4.769 4.740 -0.001 0.000 0.284 309 N C 0.670 176.256 175.510 0.126 0.000 1.283 309 N CA -0.405 52.706 53.050 0.102 0.000 0.972 309 N CB -0.126 38.454 38.487 0.155 0.000 1.328 309 N HN 0.438 nan 8.380 nan 0.000 0.486 310 I N 0.700 121.309 120.570 0.064 0.000 3.369 310 I HA 0.041 4.211 4.170 -0.001 0.000 0.288 310 I C 1.605 177.768 176.117 0.077 0.000 1.321 310 I CA 0.746 62.087 61.300 0.069 0.000 1.358 310 I CB -0.081 37.940 38.000 0.035 0.000 1.038 310 I HN 0.369 nan 8.210 nan 0.000 0.516 311 R N 1.085 121.634 120.500 0.083 0.000 2.161 311 R HA 0.062 4.401 4.340 -0.001 0.000 0.213 311 R C 2.306 178.640 176.300 0.057 0.000 1.055 311 R CA 1.275 57.413 56.100 0.064 0.000 0.996 311 R CB -0.027 30.309 30.300 0.060 0.000 0.901 311 R HN 0.603 nan 8.270 nan 0.000 0.456 312 K N -0.118 120.350 120.400 0.112 0.000 2.365 312 K HA 0.150 4.469 4.320 -0.001 0.000 0.195 312 K C 0.289 176.760 176.600 -0.215 0.000 1.079 312 K CA 0.482 56.782 56.287 0.022 0.000 0.979 312 K CB 0.384 33.004 32.500 0.200 0.000 0.929 312 K HN 0.025 nan 8.250 nan 0.000 0.523 313 F N 1.332 121.303 119.950 0.036 0.000 2.532 313 F HA 0.220 4.746 4.527 -0.001 0.000 0.365 313 F C 1.168 176.962 175.800 -0.010 0.000 1.112 313 F CA -0.654 57.356 58.000 0.017 0.000 1.082 313 F CB 2.420 41.408 39.000 -0.021 0.000 1.319 313 F HN 0.086 nan 8.300 nan 0.000 0.457 314 T N -2.304 112.316 114.554 0.110 0.000 3.044 314 T HA 0.222 4.571 4.350 -0.001 0.000 0.250 314 T C 0.449 175.207 174.700 0.098 0.000 1.081 314 T CA 0.018 62.167 62.100 0.082 0.000 1.040 314 T CB -0.024 68.867 68.868 0.037 0.000 0.962 314 T HN 0.281 nan 8.240 nan 0.000 0.506 315 N N 1.322 120.091 118.700 0.114 0.000 2.453 315 N HA 0.638 5.377 4.740 -0.001 0.000 0.290 315 N C -1.248 174.381 175.510 0.199 0.000 1.250 315 N CA -0.764 52.343 53.050 0.095 0.000 0.815 315 N CB 1.927 40.428 38.487 0.024 0.000 1.381 315 N HN 0.441 nan 8.380 nan 0.000 0.510 316 F N -1.961 117.964 119.950 -0.042 0.000 2.626 316 F HA 0.462 4.989 4.527 -0.001 0.000 0.311 316 F C -0.255 175.482 175.800 -0.106 0.000 1.088 316 F CA -1.336 56.628 58.000 -0.060 0.000 0.949 316 F CB 0.983 39.931 39.000 -0.088 0.000 1.322 316 F HN 0.209 nan 8.300 nan 0.000 0.461 317 N N 1.548 120.268 118.700 0.033 0.000 2.412 317 N HA 0.031 4.771 4.740 -0.001 0.000 0.279 317 N C 0.959 176.342 175.510 -0.211 0.000 1.287 317 N CA 0.740 53.758 53.050 -0.054 0.000 0.948 317 N CB 0.703 39.238 38.487 0.079 0.000 1.255 317 N HN 0.873 nan 8.380 nan 0.000 0.485 318 T N 0.939 115.215 114.554 -0.465 0.000 3.160 318 T HA -0.027 4.323 4.350 -0.001 0.000 0.257 318 T C 0.870 175.443 174.700 -0.211 0.000 1.147 318 T CA 0.293 61.999 62.100 -0.656 0.000 1.064 318 T CB -0.432 68.103 68.868 -0.555 0.000 0.949 318 T HN 0.633 nan 8.240 nan 0.000 0.526 319 N N 0.877 119.528 118.700 -0.082 0.000 2.778 319 N HA -0.156 4.584 4.740 -0.001 0.000 0.249 319 N C -1.297 174.180 175.510 -0.055 0.000 1.069 319 N CA 0.760 53.803 53.050 -0.012 0.000 0.831 319 N CB -1.746 36.743 38.487 0.005 0.000 1.142 319 N HN 0.535 nan 8.380 nan 0.000 0.573 320 N N 0.976 119.650 118.700 -0.043 0.000 2.402 320 N HA 0.233 4.973 4.740 -0.001 0.000 0.252 320 N C -0.462 175.030 175.510 -0.030 0.000 1.118 320 N CA 0.240 53.246 53.050 -0.073 0.000 0.945 320 N CB 0.341 38.880 38.487 0.086 0.000 1.147 320 N HN 0.309 nan 8.380 nan 0.000 0.495 321 L N 1.789 122.908 121.223 -0.173 0.000 2.333 321 L HA 0.535 4.875 4.340 -0.001 0.000 0.280 321 L C -0.577 176.146 176.870 -0.246 0.000 1.004 321 L CA -0.994 53.760 54.840 -0.145 0.000 0.820 321 L CB 1.014 42.959 42.059 -0.190 0.000 1.247 321 L HN 0.277 nan 8.230 nan 0.000 0.416 322 W N 4.628 125.853 121.300 -0.125 0.000 2.390 322 W HA 0.707 5.366 4.660 -0.000 0.000 0.312 322 W C -0.385 175.946 176.519 -0.313 0.000 1.123 322 W CA -0.231 57.066 57.345 -0.080 0.000 1.202 322 W CB 1.085 30.544 29.460 -0.001 0.000 1.251 322 W HN 0.217 nan 8.180 nan 0.000 0.511 323 I N 3.351 123.899 120.570 -0.038 0.000 2.571 323 I HA 0.091 4.260 4.170 -0.001 0.000 0.289 323 I C -0.312 175.832 176.117 0.045 0.000 1.115 323 I CA -0.920 60.269 61.300 -0.185 0.000 1.045 323 I CB 1.600 39.415 38.000 -0.309 0.000 1.238 323 I HN 0.362 nan 8.210 nan 0.000 0.424 324 N N 6.583 125.355 118.700 0.120 0.000 2.399 324 N HA 0.171 4.911 4.740 -0.001 0.000 0.259 324 N C 0.794 176.435 175.510 0.219 0.000 1.160 324 N CA 0.096 53.257 53.050 0.185 0.000 0.946 324 N CB 1.015 39.628 38.487 0.210 0.000 1.156 324 N HN 0.632 nan 8.380 nan 0.000 0.489 325 L N 4.352 125.671 121.223 0.160 0.000 2.042 325 L HA -0.247 4.092 4.340 -0.001 0.000 0.210 325 L C 2.837 179.781 176.870 0.122 0.000 1.076 325 L CA 2.073 57.001 54.840 0.147 0.000 0.749 325 L CB -0.556 41.566 42.059 0.104 0.000 0.893 325 L HN 0.605 nan 8.230 nan 0.000 0.432 326 K N 0.255 120.713 120.400 0.097 0.000 2.032 326 K HA -0.120 4.199 4.320 -0.001 0.000 0.209 326 K C 2.229 178.863 176.600 0.056 0.000 1.048 326 K CA 1.687 58.010 56.287 0.061 0.000 0.927 326 K CB -1.498 31.033 32.500 0.051 0.000 0.712 326 K HN 0.446 nan 8.250 nan 0.000 0.441 327 A N 0.637 123.524 122.820 0.111 0.000 1.972 327 A HA 0.028 4.348 4.320 -0.001 0.000 0.219 327 A C 2.577 180.152 177.584 -0.015 0.000 1.169 327 A CA 1.781 53.862 52.037 0.073 0.000 0.635 327 A CB -0.482 18.663 19.000 0.241 0.000 0.810 327 A HN 0.352 nan 8.150 nan 0.000 0.446 328 V N 0.109 120.122 119.914 0.166 0.000 2.427 328 V HA -0.200 3.920 4.120 -0.001 0.000 0.248 328 V C 3.124 179.204 176.094 -0.024 0.000 1.051 328 V CA 2.493 64.869 62.300 0.126 0.000 1.048 328 V CB -1.309 30.695 31.823 0.300 0.000 0.666 328 V HN 0.740 nan 8.190 nan 0.000 0.456 329 K N 0.923 121.309 120.400 -0.023 0.000 1.985 329 K HA -0.192 4.128 4.320 -0.001 0.000 0.210 329 K C 2.315 178.840 176.600 -0.125 0.000 1.047 329 K CA 1.879 58.112 56.287 -0.091 0.000 0.932 329 K CB -0.898 31.566 32.500 -0.061 0.000 0.716 329 K HN 0.501 nan 8.250 nan 0.000 0.439 330 R N 0.407 120.844 120.500 -0.105 0.000 2.083 330 R HA -0.065 4.275 4.340 -0.001 0.000 0.237 330 R C 2.368 178.573 176.300 -0.159 0.000 1.137 330 R CA 1.861 57.891 56.100 -0.116 0.000 0.951 330 R CB -0.573 29.667 30.300 -0.099 0.000 0.851 330 R HN 0.472 nan 8.270 nan 0.000 0.434 331 L N 0.793 121.881 121.223 -0.225 0.000 2.093 331 L HA -0.171 4.169 4.340 -0.001 0.000 0.208 331 L C 3.115 179.852 176.870 -0.222 0.000 1.085 331 L CA 1.477 56.143 54.840 -0.290 0.000 0.755 331 L CB -0.755 41.001 42.059 -0.505 0.000 0.904 331 L HN 0.320 nan 8.230 nan 0.000 0.435 332 I N 0.066 120.527 120.570 -0.181 0.000 2.179 332 I HA -0.223 3.947 4.170 -0.001 0.000 0.242 332 I C 2.829 178.881 176.117 -0.108 0.000 1.088 332 I CA 2.363 63.590 61.300 -0.122 0.000 1.357 332 I CB -1.639 36.285 38.000 -0.126 0.000 1.051 332 I HN 0.396 nan 8.210 nan 0.000 0.409 333 E N 0.810 120.931 120.200 -0.132 0.000 2.118 333 E HA -0.223 4.126 4.350 -0.001 0.000 0.195 333 E C 2.238 178.796 176.600 -0.070 0.000 0.992 333 E CA 1.855 58.199 56.400 -0.094 0.000 0.804 333 E CB -1.165 28.479 29.700 -0.095 0.000 0.741 333 E HN 1.335 nan 8.360 nan 0.000 0.458 334 S N -0.104 115.542 115.700 -0.090 0.000 2.577 334 S HA 0.220 4.689 4.470 -0.001 0.000 0.219 334 S C 1.166 175.711 174.600 -0.090 0.000 0.962 334 S CA 0.904 59.054 58.200 -0.083 0.000 0.921 334 S CB -0.512 62.633 63.200 -0.093 0.000 0.789 334 S HN 1.407 nan 8.310 nan 0.000 0.497 335 S N 0.749 116.395 115.700 -0.089 0.000 3.549 335 S HA -0.321 4.148 4.470 -0.001 0.000 0.366 335 S C 0.459 174.971 174.600 -0.147 0.000 1.012 335 S CA 1.208 59.356 58.200 -0.087 0.000 1.141 335 S CB -2.888 60.286 63.200 -0.043 0.000 0.910 335 S HN 0.823 nan 8.310 nan 0.000 0.471 336 N N 0.520 119.091 118.700 -0.216 0.000 2.376 336 N HA 0.295 5.035 4.740 -0.001 0.000 0.177 336 N C 1.013 176.163 175.510 -0.600 0.000 1.024 336 N CA 0.872 53.723 53.050 -0.332 0.000 0.893 336 N CB -0.187 38.124 38.487 -0.293 0.000 0.980 336 N HN 0.995 nan 8.380 nan 0.000 0.439 337 L N 1.030 121.992 121.223 -0.436 0.000 2.477 337 L HA 0.669 5.008 4.340 -0.001 0.000 0.272 337 L C 0.320 177.085 176.870 -0.174 0.000 1.157 337 L CA 0.609 55.244 54.840 -0.342 0.000 0.889 337 L CB -1.003 40.933 42.059 -0.204 0.000 1.158 337 L HN 0.457 nan 8.230 nan 0.000 0.473 338 E N 4.043 124.227 120.200 -0.028 0.000 2.499 338 E HA 0.611 4.960 4.350 -0.001 0.000 0.327 338 E C -0.856 175.946 176.600 0.337 0.000 0.929 338 E CA -0.450 56.036 56.400 0.145 0.000 0.788 338 E CB 0.733 30.450 29.700 0.028 0.000 1.452 338 E HN 0.916 nan 8.360 nan 0.000 0.387 339 M N 0.850 120.597 119.600 0.244 0.000 2.267 339 M HA 0.508 4.987 4.480 -0.001 0.000 0.303 339 M C 0.372 176.741 176.300 0.116 0.000 1.164 339 M CA -0.520 54.884 55.300 0.174 0.000 1.060 339 M CB 0.891 33.585 32.600 0.156 0.000 1.455 339 M HN 0.550 nan 8.290 nan 0.000 0.483 340 E N 1.138 121.380 120.200 0.070 0.000 2.413 340 E HA 0.099 4.449 4.350 -0.001 0.000 0.263 340 E C -0.828 175.812 176.600 0.067 0.000 1.015 340 E CA 0.189 56.619 56.400 0.051 0.000 0.916 340 E CB 0.190 29.900 29.700 0.016 0.000 0.947 340 E HN 0.287 nan 8.360 nan 0.000 0.440 341 I N 4.202 124.819 120.570 0.080 0.000 2.471 341 I HA 0.097 4.267 4.170 -0.001 0.000 0.286 341 I C 0.189 176.373 176.117 0.111 0.000 1.079 341 I CA 0.053 61.425 61.300 0.120 0.000 1.398 341 I CB -0.139 37.968 38.000 0.180 0.000 1.403 341 I HN 0.426 nan 8.210 nan 0.000 0.530 342 I N 8.755 129.387 120.570 0.103 0.000 2.371 342 I HA 0.220 4.390 4.170 -0.001 0.000 0.282 342 I C -1.600 174.567 176.117 0.083 0.000 1.031 342 I CA -1.555 59.794 61.300 0.082 0.000 1.180 342 I CB 1.208 39.238 38.000 0.051 0.000 1.336 342 I HN 0.294 nan 8.210 nan 0.000 0.467 343 P HA -0.182 nan 4.420 nan 0.000 0.215 343 P C 0.564 177.856 177.300 -0.013 0.000 1.157 343 P CA 1.587 64.733 63.100 0.078 0.000 0.868 343 P CB -0.059 31.750 31.700 0.181 0.000 0.788 344 N N -2.110 116.591 118.700 0.002 0.000 2.601 344 N HA -0.093 4.646 4.740 -0.001 0.000 0.298 344 N C 0.215 175.691 175.510 -0.057 0.000 1.227 344 N CA 0.711 53.745 53.050 -0.027 0.000 0.732 344 N CB -2.340 36.124 38.487 -0.038 0.000 0.964 344 N HN 0.613 nan 8.380 nan 0.000 0.549 345 Q N -0.607 119.176 119.800 -0.030 0.000 2.296 345 Q HA 0.727 5.066 4.340 -0.001 0.000 0.262 345 Q C 0.520 176.501 176.000 -0.032 0.000 0.981 345 Q CA 0.747 56.531 55.803 -0.033 0.000 0.905 345 Q CB 0.362 29.095 28.738 -0.008 0.000 1.186 345 Q HN 2.181 nan 8.270 nan 0.000 0.399 346 K N 0.522 120.898 120.400 -0.040 0.000 2.399 346 K HA 0.949 5.268 4.320 -0.001 0.000 0.260 346 K C -0.344 176.245 176.600 -0.019 0.000 1.049 346 K CA -0.084 56.187 56.287 -0.028 0.000 0.890 346 K CB 1.692 34.172 32.500 -0.033 0.000 1.430 346 K HN 0.794 nan 8.250 nan 0.000 0.459 347 T N -0.590 113.958 114.554 -0.010 0.000 2.909 347 T HA 0.814 5.163 4.350 -0.001 0.000 0.299 347 T C -1.148 173.550 174.700 -0.002 0.000 1.073 347 T CA 0.414 62.510 62.100 -0.007 0.000 0.999 347 T CB 1.040 69.904 68.868 -0.006 0.000 1.098 347 T HN 1.717 nan 8.240 nan 0.000 0.477 348 I N 0.022 120.590 120.570 -0.004 0.000 2.842 348 I HA 0.917 5.087 4.170 -0.001 0.000 0.297 348 I C 0.119 176.230 176.117 -0.010 0.000 1.380 348 I CA -0.934 60.364 61.300 -0.003 0.000 1.018 348 I CB 0.792 38.794 38.000 0.003 0.000 1.311 348 I HN 0.979 nan 8.210 nan 0.000 0.439 349 T N 2.281 116.828 114.554 -0.011 0.000 2.729 349 T HA 0.873 5.222 4.350 -0.001 0.000 0.296 349 T C 0.408 175.095 174.700 -0.021 0.000 0.928 349 T CA 0.445 62.537 62.100 -0.014 0.000 1.045 349 T CB -0.076 68.785 68.868 -0.011 0.000 0.902 349 T HN 2.118 nan 8.240 nan 0.000 0.500 357 V N -1.306 118.600 119.914 -0.013 0.000 3.078 357 V HA 1.077 5.196 4.120 -0.001 0.000 0.311 357 V C 0.253 176.323 176.094 -0.039 0.000 1.138 357 V CA -0.508 61.781 62.300 -0.018 0.000 1.007 357 V CB 1.124 32.939 31.823 -0.013 0.000 1.045 357 V HN 2.323 nan 8.190 nan 0.000 0.432 358 L N 1.906 123.098 121.223 -0.052 0.000 2.365 358 L HA 0.927 5.267 4.340 -0.001 0.000 0.273 358 L C -0.171 176.601 176.870 -0.163 0.000 1.000 358 L CA -0.779 54.001 54.840 -0.101 0.000 0.819 358 L CB 1.238 43.224 42.059 -0.121 0.000 1.284 358 L HN 0.836 nan 8.230 nan 0.000 0.418 359 Q N 3.202 122.834 119.800 -0.279 0.000 2.788 359 Q HA 0.621 4.961 4.340 -0.001 0.000 0.261 359 Q C -0.055 175.747 176.000 -0.331 0.000 1.029 359 Q CA -0.402 55.013 55.803 -0.646 0.000 0.848 359 Q CB 1.370 29.634 28.738 -0.790 0.000 1.185 359 Q HN 1.060 nan 8.270 nan 0.000 0.482 360 L N 2.073 123.273 121.223 -0.038 0.000 2.615 360 L HA 0.179 4.519 4.340 -0.001 0.000 0.271 360 L C 0.458 177.477 176.870 0.248 0.000 1.183 360 L CA 0.683 55.581 54.840 0.096 0.000 0.933 360 L CB -0.861 41.250 42.059 0.086 0.000 1.199 360 L HN 0.655 nan 8.230 nan 0.000 0.487 361 E N 1.888 122.177 120.200 0.149 0.000 2.446 361 E HA 0.931 5.281 4.350 -0.001 0.000 0.267 361 E C -0.444 176.199 176.600 0.072 0.000 0.955 361 E CA -0.099 56.386 56.400 0.141 0.000 0.842 361 E CB 1.931 31.722 29.700 0.152 0.000 1.504 361 E HN 0.689 nan 8.360 nan 0.000 0.438 362 T N -2.630 111.932 114.554 0.012 0.000 2.816 362 T HA 0.747 5.096 4.350 -0.001 0.000 0.299 362 T C -1.165 173.437 174.700 -0.164 0.000 1.230 362 T CA -0.846 61.241 62.100 -0.022 0.000 1.007 362 T CB 1.509 70.398 68.868 0.034 0.000 1.289 362 T HN 0.795 nan 8.240 nan 0.000 0.508 363 A N -0.333 122.387 122.820 -0.166 0.000 2.332 363 A HA 0.711 5.031 4.320 -0.001 0.000 0.300 363 A C 1.777 179.287 177.584 -0.124 0.000 1.153 363 A CA -0.407 51.409 52.037 -0.368 0.000 0.764 363 A CB -0.355 18.489 19.000 -0.259 0.000 1.174 363 A HN 1.571 nan 8.150 nan 0.000 0.467 364 C N 2.086 121.297 119.300 -0.149 0.000 2.382 364 C HA -0.047 4.413 4.460 -0.001 0.000 0.274 364 C C 2.630 177.781 174.990 0.269 0.000 1.180 364 C CA 2.636 61.714 59.018 0.099 0.000 1.799 364 C CB -1.455 26.245 27.740 -0.067 0.000 2.094 364 C HN 1.129 nan 8.230 nan 0.000 0.468 365 G N -0.116 108.790 108.800 0.177 0.000 2.469 365 G HA2 0.071 4.030 3.960 -0.001 0.000 0.220 365 G HA3 0.071 4.030 3.960 -0.001 0.000 0.220 365 G C 1.987 176.933 174.900 0.077 0.000 1.136 365 G CA 1.655 46.866 45.100 0.185 0.000 0.759 365 G HN 1.167 nan 8.290 nan 0.000 0.562 366 A N 0.786 123.639 122.820 0.054 0.000 2.066 366 A HA 0.458 4.777 4.320 -0.001 0.000 0.218 366 A C 2.670 180.224 177.584 -0.051 0.000 1.157 366 A CA 1.636 53.670 52.037 -0.004 0.000 0.670 366 A CB -0.448 18.555 19.000 0.007 0.000 0.804 366 A HN 0.772 nan 8.150 nan 0.000 0.453 367 A N -0.004 122.847 122.820 0.052 0.000 2.125 367 A HA -0.073 4.246 4.320 -0.001 0.000 0.219 367 A C 1.930 179.451 177.584 -0.105 0.000 1.156 367 A CA 1.120 53.211 52.037 0.090 0.000 0.671 367 A CB -0.671 18.567 19.000 0.397 0.000 0.794 367 A HN 0.617 nan 8.150 nan 0.000 0.459 368 I N 0.486 120.806 120.570 -0.418 0.000 2.399 368 I HA -0.375 3.795 4.170 -0.001 0.000 0.254 368 I C 2.640 178.606 176.117 -0.252 0.000 1.146 368 I CA 1.891 62.757 61.300 -0.724 0.000 1.412 368 I CB -0.133 37.398 38.000 -0.782 0.000 1.076 368 I HN 0.566 nan 8.210 nan 0.000 0.432 369 R N -0.231 120.133 120.500 -0.226 0.000 2.073 369 R HA -0.217 4.123 4.340 -0.001 0.000 0.234 369 R C 1.898 178.158 176.300 -0.066 0.000 1.134 369 R CA 2.052 58.052 56.100 -0.166 0.000 0.952 369 R CB -1.336 28.818 30.300 -0.244 0.000 0.850 369 R HN 0.495 nan 8.270 nan 0.000 0.433 370 H N -0.439 118.663 119.070 0.053 0.000 2.543 370 H HA 0.035 4.591 4.556 -0.001 0.000 0.286 370 H C -0.093 175.177 175.328 -0.098 0.000 1.037 370 H CA 0.062 56.087 56.048 -0.038 0.000 1.250 370 H CB -0.061 29.629 29.762 -0.119 0.000 1.373 370 H HN 0.050 nan 8.280 nan 0.000 0.580 371 F N 1.492 121.455 119.950 0.022 0.000 2.397 371 F HA 0.149 4.676 4.527 -0.001 0.000 0.331 371 F C 0.500 176.333 175.800 0.055 0.000 1.090 371 F CA -1.148 56.885 58.000 0.055 0.000 1.065 371 F CB 0.901 39.972 39.000 0.117 0.000 1.184 371 F HN 0.016 nan 8.300 nan 0.000 0.499 372 D N 0.985 121.513 120.400 0.214 0.000 2.264 372 D HA 0.360 5.000 4.640 -0.001 0.000 0.249 372 D C 1.118 177.526 176.300 0.179 0.000 1.070 372 D CA 0.566 54.651 54.000 0.143 0.000 0.912 372 D CB 1.537 42.385 40.800 0.081 0.000 1.193 372 D HN 0.785 nan 8.370 nan 0.000 0.427 373 G N 0.909 109.792 108.800 0.138 0.000 2.212 373 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.266 373 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.266 373 G C 0.619 175.671 174.900 0.255 0.000 0.978 373 G CA 0.391 45.578 45.100 0.145 0.000 0.632 373 G HN 0.890 nan 8.290 nan 0.000 0.537 374 A N 1.385 124.362 122.820 0.262 0.000 2.555 374 A HA 0.546 4.865 4.320 -0.001 0.000 0.233 374 A C 0.707 178.487 177.584 0.326 0.000 1.060 374 A CA 1.437 53.643 52.037 0.282 0.000 0.759 374 A CB -0.014 19.085 19.000 0.166 0.000 0.995 374 A HN 2.036 nan 8.150 nan 0.000 0.506 375 H N -0.843 118.303 119.070 0.126 0.000 2.876 375 H HA 0.610 5.166 4.556 -0.001 0.000 0.284 375 H C -0.349 175.050 175.328 0.117 0.000 1.445 375 H CA -0.333 55.775 56.048 0.099 0.000 1.141 375 H CB 0.693 30.512 29.762 0.095 0.000 1.816 375 H HN 1.053 nan 8.280 nan 0.000 0.511 376 G N -0.417 108.426 108.800 0.072 0.000 2.489 376 G HA2 0.532 4.491 3.960 -0.001 0.000 0.327 376 G HA3 0.532 4.491 3.960 -0.001 0.000 0.327 376 G C -1.201 173.705 174.900 0.010 0.000 1.189 376 G CA -0.365 44.736 45.100 0.001 0.000 0.962 376 G HN 0.704 nan 8.290 nan 0.000 0.486 377 V N 1.069 120.970 119.914 -0.022 0.000 2.569 377 V HA 0.492 4.612 4.120 -0.001 0.000 0.301 377 V C -0.639 175.463 176.094 0.015 0.000 1.044 377 V CA -0.698 61.592 62.300 -0.017 0.000 0.874 377 V CB 1.754 33.507 31.823 -0.118 0.000 1.002 377 V HN 0.599 nan 8.190 nan 0.000 0.424 378 V N 8.160 128.093 119.914 0.030 0.000 2.403 378 V HA 0.232 4.351 4.120 -0.001 0.000 0.265 378 V C 0.555 176.664 176.094 0.026 0.000 1.034 378 V CA 0.427 62.734 62.300 0.012 0.000 1.036 378 V CB 0.645 32.481 31.823 0.022 0.000 1.032 378 V HN 0.827 nan 8.190 nan 0.000 0.478 379 V N 4.746 124.620 119.914 -0.067 0.000 3.109 379 V HA 0.700 4.819 4.120 -0.001 0.000 0.317 379 V C -2.262 173.678 176.094 -0.255 0.000 1.074 379 V CA -2.434 59.733 62.300 -0.222 0.000 1.033 379 V CB 1.151 32.893 31.823 -0.135 0.000 1.111 379 V HN 0.631 nan 8.190 nan 0.000 0.458 380 P HA 0.409 nan 4.420 nan 0.000 0.279 380 P C 0.315 177.566 177.300 -0.082 0.000 1.252 380 P CA -0.668 62.319 63.100 -0.187 0.000 0.811 380 P CB 0.885 32.463 31.700 -0.203 0.000 1.035 381 R N 1.032 121.528 120.500 -0.007 0.000 2.170 381 R HA -0.154 4.185 4.340 -0.001 0.000 0.242 381 R C 1.864 178.227 176.300 0.105 0.000 1.145 381 R CA 1.961 58.111 56.100 0.083 0.000 0.984 381 R CB -0.734 29.642 30.300 0.126 0.000 0.869 381 R HN 0.463 nan 8.270 nan 0.000 0.455 382 S N 0.941 116.678 115.700 0.061 0.000 2.425 382 S HA -0.288 4.182 4.470 -0.001 0.000 0.256 382 S C 1.465 176.118 174.600 0.088 0.000 1.101 382 S CA 2.088 60.333 58.200 0.075 0.000 1.188 382 S CB -0.540 62.683 63.200 0.037 0.000 1.085 382 S HN 0.537 nan 8.310 nan 0.000 0.439 383 R N 0.094 120.642 120.500 0.081 0.000 2.328 383 R HA 0.202 4.541 4.340 -0.001 0.000 0.200 383 R C -0.467 175.959 176.300 0.210 0.000 0.983 383 R CA 0.226 56.399 56.100 0.123 0.000 1.062 383 R CB -0.416 29.958 30.300 0.124 0.000 0.956 383 R HN 0.367 nan 8.270 nan 0.000 0.479 384 F N 1.335 121.283 119.950 -0.003 0.000 2.366 384 F HA 0.337 4.863 4.527 -0.001 0.000 0.366 384 F C -0.821 175.001 175.800 0.037 0.000 1.096 384 F CA -2.059 55.948 58.000 0.011 0.000 1.060 384 F CB 1.139 40.144 39.000 0.009 0.000 1.282 384 F HN -0.178 nan 8.300 nan 0.000 0.450 385 L N 9.058 130.121 121.223 -0.267 0.000 2.502 385 L HA 0.477 4.817 4.340 -0.001 0.000 0.249 385 L C -2.472 174.172 176.870 -0.378 0.000 1.446 385 L CA -1.719 52.951 54.840 -0.283 0.000 0.887 385 L CB 0.716 42.681 42.059 -0.156 0.000 1.126 385 L HN 0.235 nan 8.230 nan 0.000 0.509 386 P HA 0.089 nan 4.420 nan 0.000 0.271 386 P C -0.620 176.543 177.300 -0.228 0.000 1.218 386 P CA 0.025 62.856 63.100 -0.448 0.000 0.780 386 P CB 1.734 33.100 31.700 -0.556 0.000 0.901 387 V N 4.977 124.821 119.914 -0.117 0.000 2.266 387 V HA 0.115 4.234 4.120 -0.001 0.000 0.271 387 V C 1.067 177.134 176.094 -0.045 0.000 1.032 387 V CA -0.183 62.098 62.300 -0.032 0.000 0.806 387 V CB 0.832 32.738 31.823 0.138 0.000 1.052 387 V HN 0.493 nan 8.190 nan 0.000 0.449 388 K N 1.761 122.113 120.400 -0.079 0.000 2.308 388 K HA 0.299 4.618 4.320 -0.001 0.000 0.197 388 K C 0.556 177.119 176.600 -0.061 0.000 1.049 388 K CA 0.381 56.625 56.287 -0.073 0.000 0.991 388 K CB 0.799 33.256 32.500 -0.072 0.000 0.836 388 K HN 0.521 nan 8.250 nan 0.000 0.500 389 T N -0.286 114.223 114.554 -0.075 0.000 2.956 389 T HA 0.124 4.473 4.350 -0.001 0.000 0.312 389 T C 0.635 175.248 174.700 -0.146 0.000 1.151 389 T CA -0.713 61.336 62.100 -0.085 0.000 1.024 389 T CB 1.679 70.506 68.868 -0.068 0.000 1.140 389 T HN 0.019 nan 8.240 nan 0.000 0.473 390 C N 1.392 120.582 119.300 -0.184 0.000 2.400 390 C HA -0.085 4.375 4.460 -0.001 0.000 0.291 390 C C 2.865 177.600 174.990 -0.426 0.000 1.372 390 C CA 0.968 59.732 59.018 -0.423 0.000 1.800 390 C CB -1.237 26.275 27.740 -0.380 0.000 1.869 390 C HN 0.941 nan 8.230 nan 0.000 0.533 391 S N 0.822 116.411 115.700 -0.186 0.000 2.348 391 S HA -0.162 4.308 4.470 -0.001 0.000 0.221 391 S C 1.547 176.074 174.600 -0.122 0.000 1.033 391 S CA 1.524 59.650 58.200 -0.124 0.000 1.010 391 S CB -0.341 62.805 63.200 -0.090 0.000 0.891 391 S HN 0.627 nan 8.310 nan 0.000 0.442 392 D N 1.504 121.831 120.400 -0.121 0.000 2.116 392 D HA -0.105 4.534 4.640 -0.001 0.000 0.193 392 D C 1.911 178.137 176.300 -0.123 0.000 0.998 392 D CA 0.778 54.717 54.000 -0.102 0.000 0.836 392 D CB -0.478 40.262 40.800 -0.101 0.000 0.951 392 D HN 0.271 nan 8.370 nan 0.000 0.449 393 L N 0.550 121.642 121.223 -0.218 0.000 2.079 393 L HA -0.164 4.175 4.340 -0.001 0.000 0.210 393 L C 2.533 179.274 176.870 -0.214 0.000 1.081 393 L CA 0.657 55.325 54.840 -0.287 0.000 0.752 393 L CB -0.213 41.539 42.059 -0.511 0.000 0.896 393 L HN 0.111 nan 8.230 nan 0.000 0.433 394 L N -0.715 120.403 121.223 -0.174 0.000 2.056 394 L HA -0.240 4.100 4.340 -0.001 0.000 0.207 394 L C 2.481 179.407 176.870 0.094 0.000 1.078 394 L CA 1.098 56.006 54.840 0.114 0.000 0.749 394 L CB -0.028 42.162 42.059 0.219 0.000 0.901 394 L HN 0.196 nan 8.230 nan 0.000 0.433 395 L N -0.430 120.826 121.223 0.056 0.000 1.970 395 L HA -0.222 4.118 4.340 -0.001 0.000 0.212 395 L C 2.567 179.587 176.870 0.249 0.000 1.071 395 L CA 2.023 56.937 54.840 0.123 0.000 0.751 395 L CB -0.261 41.861 42.059 0.104 0.000 0.889 395 L HN 0.390 nan 8.230 nan 0.000 0.432 396 V N -3.494 116.504 119.914 0.140 0.000 2.809 396 V HA -0.170 3.949 4.120 -0.001 0.000 0.256 396 V C 1.985 178.133 176.094 0.091 0.000 1.080 396 V CA 1.372 63.698 62.300 0.043 0.000 1.102 396 V CB -0.745 30.941 31.823 -0.229 0.000 0.705 396 V HN 0.375 nan 8.190 nan 0.000 0.475 397 K N 1.656 122.105 120.400 0.082 0.000 2.444 397 K HA 0.184 4.503 4.320 -0.001 0.000 0.193 397 K C 0.943 177.616 176.600 0.123 0.000 1.024 397 K CA 0.575 56.911 56.287 0.082 0.000 1.077 397 K CB 0.113 32.664 32.500 0.085 0.000 0.833 397 K HN 0.787 nan 8.250 nan 0.000 0.517 398 S N 0.152 115.950 115.700 0.163 0.000 2.747 398 S HA 0.077 4.547 4.470 -0.001 0.000 0.300 398 S C 0.765 175.419 174.600 0.089 0.000 1.121 398 S CA -0.767 57.500 58.200 0.112 0.000 0.995 398 S CB 1.302 64.554 63.200 0.085 0.000 1.113 398 S HN 0.195 nan 8.310 nan 0.000 0.547 399 D N 0.019 120.440 120.400 0.036 0.000 2.411 399 D HA -0.119 4.520 4.640 -0.001 0.000 0.226 399 D C 1.505 177.765 176.300 -0.066 0.000 0.988 399 D CA 0.233 54.234 54.000 0.002 0.000 0.938 399 D CB -0.367 40.431 40.800 -0.003 0.000 0.883 399 D HN 0.331 nan 8.370 nan 0.000 0.525 400 L N -0.629 120.511 121.223 -0.137 0.000 2.131 400 L HA 0.048 4.388 4.340 -0.001 0.000 0.210 400 L C 0.264 176.779 176.870 -0.591 0.000 1.092 400 L CA 1.175 55.773 54.840 -0.404 0.000 0.759 400 L CB -0.352 41.363 42.059 -0.572 0.000 0.903 400 L HN -0.083 nan 8.230 nan 0.000 0.435 401 F N -1.108 118.838 119.950 -0.008 0.000 2.520 401 F HA 0.643 5.170 4.527 -0.001 0.000 0.322 401 F C 0.782 176.574 175.800 -0.013 0.000 1.103 401 F CA -0.804 57.189 58.000 -0.012 0.000 0.926 401 F CB 0.570 39.560 39.000 -0.018 0.000 1.154 401 F HN -0.269 nan 8.300 nan 0.000 0.453 402 R N 1.971 122.570 120.500 0.165 0.000 2.457 402 R HA 0.770 5.109 4.340 -0.001 0.000 0.284 402 R C -1.424 174.928 176.300 0.085 0.000 1.024 402 R CA -0.786 55.369 56.100 0.091 0.000 1.025 402 R CB 1.001 31.329 30.300 0.047 0.000 1.063 402 R HN 0.685 nan 8.270 nan 0.000 0.493 403 L N 0.982 122.227 121.223 0.037 0.000 2.325 403 L HA 0.722 5.061 4.340 -0.001 0.000 0.279 403 L C 0.300 177.150 176.870 -0.033 0.000 1.054 403 L CA -0.026 54.812 54.840 -0.003 0.000 0.804 403 L CB 1.723 43.770 42.059 -0.020 0.000 1.200 403 L HN 0.998 nan 8.230 nan 0.000 0.436 404 E N 1.983 122.144 120.200 -0.066 0.000 2.334 404 E HA 0.474 4.823 4.350 -0.001 0.000 0.280 404 E C 0.084 176.558 176.600 -0.210 0.000 0.899 404 E CA -0.001 56.323 56.400 -0.126 0.000 0.813 404 E CB -0.436 29.194 29.700 -0.116 0.000 1.318 404 E HN 2.108 nan 8.360 nan 0.000 0.399 405 H N 0.106 119.030 119.070 -0.244 0.000 2.713 405 H HA 0.120 4.675 4.556 -0.001 0.000 0.311 405 H C 2.085 177.320 175.328 -0.155 0.000 1.175 405 H CA 1.859 57.725 56.048 -0.304 0.000 1.143 405 H CB -1.702 27.547 29.762 -0.855 0.000 1.434 405 H HN 2.523 nan 8.280 nan 0.000 0.418 406 G N -2.067 106.677 108.800 -0.093 0.000 2.141 406 G HA2 0.151 4.110 3.960 -0.001 0.000 0.242 406 G HA3 0.151 4.110 3.960 -0.001 0.000 0.242 406 G C 0.226 175.096 174.900 -0.050 0.000 0.982 406 G CA 0.768 45.837 45.100 -0.050 0.000 0.662 406 G HN 2.033 nan 8.290 nan 0.000 0.527 407 S N 0.598 116.260 115.700 -0.064 0.000 2.532 407 S HA 0.684 5.153 4.470 -0.001 0.000 0.299 407 S C -0.162 174.407 174.600 -0.052 0.000 1.105 407 S CA -0.907 57.263 58.200 -0.049 0.000 1.018 407 S CB 2.017 65.206 63.200 -0.018 0.000 1.021 407 S HN 0.288 nan 8.310 nan 0.000 0.483 408 L N 3.200 124.366 121.223 -0.094 0.000 2.485 408 L HA 0.301 4.641 4.340 -0.001 0.000 0.279 408 L C 0.756 177.685 176.870 0.098 0.000 1.124 408 L CA 0.320 55.102 54.840 -0.096 0.000 0.888 408 L CB -1.226 40.514 42.059 -0.532 0.000 1.217 408 L HN 0.894 nan 8.230 nan 0.000 0.464 409 K N 4.816 125.318 120.400 0.170 0.000 2.227 409 K HA 0.416 4.736 4.320 -0.001 0.000 0.280 409 K C -0.362 176.410 176.600 0.286 0.000 1.041 409 K CA -0.548 55.850 56.287 0.184 0.000 0.905 409 K CB 0.921 33.474 32.500 0.090 0.000 1.068 409 K HN 0.660 nan 8.250 nan 0.000 0.470 410 L N 2.096 123.470 121.223 0.252 0.000 2.416 410 L HA 0.129 4.468 4.340 -0.001 0.000 0.272 410 L C 0.464 177.306 176.870 -0.046 0.000 1.161 410 L CA -0.333 54.512 54.840 0.008 0.000 0.845 410 L CB 0.950 42.999 42.059 -0.017 0.000 1.119 410 L HN 0.875 nan 8.230 nan 0.000 0.464 411 D N 6.822 127.141 120.400 -0.135 0.000 2.531 411 D HA -0.035 4.604 4.640 -0.001 0.000 0.239 411 D C -1.546 174.719 176.300 -0.058 0.000 1.144 411 D CA -1.034 52.915 54.000 -0.084 0.000 0.869 411 D CB 1.356 42.089 40.800 -0.113 0.000 1.160 411 D HN 0.422 nan 8.370 nan 0.000 0.484 412 P HA -0.190 nan 4.420 nan 0.000 0.216 412 P C 1.385 178.673 177.300 -0.021 0.000 1.153 412 P CA 1.826 64.916 63.100 -0.015 0.000 0.858 412 P CB -0.051 31.646 31.700 -0.005 0.000 0.789 413 S N -0.117 115.567 115.700 -0.027 0.000 2.399 413 S HA -0.150 4.320 4.470 -0.001 0.000 0.231 413 S C 1.604 176.184 174.600 -0.033 0.000 1.022 413 S CA 0.540 58.724 58.200 -0.026 0.000 0.983 413 S CB -0.868 62.316 63.200 -0.027 0.000 0.803 413 S HN -0.003 nan 8.310 nan 0.000 0.480 414 R N 1.181 121.651 120.500 -0.051 0.000 2.474 414 R HA 0.288 4.627 4.340 -0.001 0.000 0.339 414 R C -0.432 175.844 176.300 -0.040 0.000 1.033 414 R CA 0.128 56.192 56.100 -0.060 0.000 0.997 414 R CB -1.653 28.584 30.300 -0.105 0.000 0.963 414 R HN 0.264 nan 8.270 nan 0.000 0.438 415 F N 3.721 123.655 119.950 -0.027 0.000 2.384 415 F HA 0.605 5.131 4.527 -0.001 0.000 0.359 415 F C 1.243 177.037 175.800 -0.010 0.000 1.143 415 F CA 0.024 58.015 58.000 -0.014 0.000 1.216 415 F CB -0.032 38.963 39.000 -0.009 0.000 1.512 415 F HN 0.859 nan 8.300 nan 0.000 0.573 416 G N 1.722 110.517 108.800 -0.009 0.000 2.395 416 G HA2 0.221 4.181 3.960 -0.001 0.000 0.201 416 G HA3 0.221 4.181 3.960 -0.001 0.000 0.201 416 G C -2.708 172.192 174.900 0.000 0.000 1.206 416 G CA -0.098 45.002 45.100 -0.000 0.000 1.210 416 G HN 1.099 nan 8.290 nan 0.000 0.557 417 P HA 0.424 nan 4.420 nan 0.000 0.284 417 P C -0.391 176.911 177.300 0.003 0.000 1.253 417 P CA -0.650 62.460 63.100 0.015 0.000 0.800 417 P CB 0.572 32.287 31.700 0.025 0.000 0.961 418 N N 2.446 121.151 118.700 0.007 0.000 2.283 418 N HA 0.049 4.788 4.740 -0.001 0.000 0.236 418 N C -2.070 173.435 175.510 -0.008 0.000 1.252 418 N CA -0.445 52.600 53.050 -0.007 0.000 0.856 418 N CB -0.983 37.519 38.487 0.025 0.000 1.099 418 N HN 0.360 nan 8.380 nan 0.000 0.444 419 P HA 0.118 nan 4.420 nan 0.000 0.274 419 P C -0.361 176.922 177.300 -0.028 0.000 1.231 419 P CA -0.551 62.539 63.100 -0.016 0.000 0.790 419 P CB 0.541 32.231 31.700 -0.018 0.000 0.951 420 L N 3.478 124.672 121.223 -0.049 0.000 2.283 420 L HA 0.327 4.667 4.340 -0.001 0.000 0.287 420 L C -0.595 176.168 176.870 -0.179 0.000 1.073 420 L CA 0.015 54.791 54.840 -0.108 0.000 0.822 420 L CB -0.757 41.221 42.059 -0.136 0.000 1.186 420 L HN 0.245 nan 8.230 nan 0.000 0.436 421 I N 6.149 126.637 120.570 -0.136 0.000 2.354 421 I HA 0.304 4.473 4.170 -0.001 0.000 0.286 421 I C -0.116 175.912 176.117 -0.148 0.000 1.007 421 I CA -0.466 60.750 61.300 -0.140 0.000 1.167 421 I CB 0.644 38.595 38.000 -0.082 0.000 1.320 421 I HN 0.328 nan 8.210 nan 0.000 0.458 422 K N 7.903 128.190 120.400 -0.189 0.000 2.459 422 K HA 0.445 4.765 4.320 -0.001 0.000 0.218 422 K C -0.476 176.048 176.600 -0.126 0.000 1.067 422 K CA -0.458 55.745 56.287 -0.139 0.000 1.045 422 K CB 0.630 33.053 32.500 -0.129 0.000 1.623 422 K HN 0.562 nan 8.250 nan 0.000 0.509 423 L N 0.830 121.960 121.223 -0.154 0.000 2.485 423 L HA 0.103 4.443 4.340 -0.001 0.000 0.275 423 L C 1.447 178.266 176.870 -0.085 0.000 1.207 423 L CA 0.036 54.722 54.840 -0.257 0.000 0.855 423 L CB 0.184 42.052 42.059 -0.318 0.000 1.114 423 L HN 0.462 nan 8.230 nan 0.000 0.485 424 G N 0.618 109.415 108.800 -0.005 0.000 2.494 424 G HA2 0.134 4.094 3.960 -0.001 0.000 0.270 424 G HA3 0.134 4.094 3.960 -0.001 0.000 0.270 424 G C 0.965 176.012 174.900 0.244 0.000 1.423 424 G CA 0.219 45.404 45.100 0.142 0.000 1.055 424 G HN 0.724 nan 8.290 nan 0.000 0.536 425 S N -1.878 113.926 115.700 0.173 0.000 2.489 425 S HA -0.068 4.401 4.470 -0.001 0.000 0.228 425 S C 1.608 176.235 174.600 0.045 0.000 0.995 425 S CA 0.893 59.139 58.200 0.078 0.000 0.934 425 S CB -0.400 62.776 63.200 -0.041 0.000 0.771 425 S HN 0.566 nan 8.310 nan 0.000 0.522 426 H N -0.342 118.784 119.070 0.093 0.000 2.563 426 H HA 0.158 4.714 4.556 -0.001 0.000 0.272 426 H C 0.060 175.228 175.328 -0.266 0.000 1.005 426 H CA 0.683 56.645 56.048 -0.144 0.000 1.171 426 H CB -0.098 29.469 29.762 -0.324 0.000 1.351 426 H HN 0.564 nan 8.280 nan 0.000 0.602 427 F N -0.005 120.003 119.950 0.097 0.000 2.639 427 F HA 0.135 4.661 4.527 -0.000 0.000 0.302 427 F C 2.057 177.919 175.800 0.103 0.000 1.097 427 F CA 0.106 58.181 58.000 0.126 0.000 1.294 427 F CB 0.225 39.320 39.000 0.158 0.000 1.027 427 F HN 0.029 nan 8.300 nan 0.000 0.550 428 K N 1.132 121.630 120.400 0.164 0.000 1.991 428 K HA 0.113 4.432 4.320 -0.001 0.000 0.207 428 K C 1.490 178.129 176.600 0.065 0.000 1.045 428 K CA 1.428 57.769 56.287 0.091 0.000 0.937 428 K CB -1.111 31.413 32.500 0.039 0.000 0.720 428 K HN 0.229 nan 8.250 nan 0.000 0.438 429 K N 0.711 121.141 120.400 0.049 0.000 2.336 429 K HA 0.385 4.705 4.320 -0.001 0.000 0.262 429 K C 1.270 177.916 176.600 0.078 0.000 0.992 429 K CA 0.331 56.643 56.287 0.042 0.000 0.927 429 K CB 0.487 33.002 32.500 0.026 0.000 0.956 429 K HN 0.249 nan 8.250 nan 0.000 0.495 430 V N 1.495 121.447 119.914 0.063 0.000 2.667 430 V HA -0.233 3.886 4.120 -0.001 0.000 0.252 430 V C 2.887 179.054 176.094 0.122 0.000 1.065 430 V CA 2.435 64.795 62.300 0.101 0.000 1.083 430 V CB -0.485 31.369 31.823 0.052 0.000 0.692 430 V HN 1.071 nan 8.190 nan 0.000 0.468 431 S N 1.057 116.798 115.700 0.068 0.000 2.353 431 S HA -0.150 4.320 4.470 -0.001 0.000 0.222 431 S C 2.156 176.775 174.600 0.031 0.000 1.035 431 S CA 1.651 59.878 58.200 0.045 0.000 1.025 431 S CB -1.151 62.064 63.200 0.026 0.000 0.902 431 S HN 0.500 nan 8.310 nan 0.000 0.440 432 G N 0.699 109.508 108.800 0.016 0.000 2.421 432 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.216 432 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.216 432 G C 1.219 176.057 174.900 -0.104 0.000 1.171 432 G CA 0.831 45.887 45.100 -0.074 0.000 0.775 432 G HN 0.495 nan 8.290 nan 0.000 0.543 433 F N 2.332 122.241 119.950 -0.069 0.000 2.087 433 F HA -0.188 4.339 4.527 -0.001 0.000 0.299 433 F C 2.493 178.287 175.800 -0.010 0.000 1.100 433 F CA 2.088 60.101 58.000 0.023 0.000 1.226 433 F CB -0.165 38.884 39.000 0.081 0.000 0.983 433 F HN 0.078 nan 8.300 nan 0.000 0.479 434 N N 0.638 119.347 118.700 0.016 0.000 2.188 434 N HA -0.129 4.610 4.740 -0.001 0.000 0.184 434 N C 2.075 177.507 175.510 -0.130 0.000 1.018 434 N CA 1.207 54.213 53.050 -0.074 0.000 0.858 434 N CB -0.850 37.654 38.487 0.029 0.000 0.989 434 N HN 0.417 nan 8.380 nan 0.000 0.426 435 A N 1.866 124.630 122.820 -0.093 0.000 1.881 435 A HA -0.228 4.092 4.320 -0.001 0.000 0.219 435 A C 2.259 179.790 177.584 -0.090 0.000 1.215 435 A CA 2.154 54.165 52.037 -0.043 0.000 0.648 435 A CB -0.505 18.470 19.000 -0.042 0.000 0.832 435 A HN 0.282 nan 8.150 nan 0.000 0.455 436 R N -0.960 119.315 120.500 -0.373 0.000 2.173 436 R HA 0.266 4.606 4.340 -0.001 0.000 0.208 436 R C 0.319 176.475 176.300 -0.239 0.000 1.035 436 R CA 0.792 56.613 56.100 -0.465 0.000 1.004 436 R CB 0.169 29.944 30.300 -0.874 0.000 0.917 436 R HN 0.518 nan 8.270 nan 0.000 0.462 437 I N 1.865 122.196 120.570 -0.399 0.000 2.859 437 I HA 0.240 4.409 4.170 -0.001 0.000 0.296 437 I C -1.993 173.919 176.117 -0.343 0.000 1.300 437 I CA -1.509 59.566 61.300 -0.375 0.000 1.020 437 I CB 1.062 38.737 38.000 -0.540 0.000 1.823 437 I HN -0.104 nan 8.210 nan 0.000 0.599 438 P HA -0.052 nan 4.420 nan 0.000 0.242 438 P C 0.061 177.010 177.300 -0.586 0.000 1.197 438 P CA 1.043 63.898 63.100 -0.408 0.000 0.765 438 P CB 0.163 31.573 31.700 -0.484 0.000 0.936 439 H N 0.597 119.651 119.070 -0.025 0.000 2.651 439 H HA 0.190 4.745 4.556 -0.000 0.000 0.252 439 H C 0.327 175.656 175.328 0.003 0.000 1.365 439 H CA -1.041 55.006 56.048 -0.002 0.000 1.539 439 H CB 0.506 30.270 29.762 0.003 0.000 1.621 439 H HN -0.058 nan 8.280 nan 0.000 0.526 440 I N 4.206 124.838 120.570 0.103 0.000 3.045 440 I HA -0.086 4.084 4.170 -0.001 0.000 0.306 440 I C -1.639 174.529 176.117 0.085 0.000 1.232 440 I CA -0.825 60.531 61.300 0.094 0.000 1.415 440 I CB -0.609 37.457 38.000 0.111 0.000 1.364 440 I HN 0.194 nan 8.210 nan 0.000 0.538 441 P HA 0.118 nan 4.420 nan 0.000 0.269 441 P C -0.152 177.170 177.300 0.038 0.000 1.209 441 P CA -0.274 62.855 63.100 0.048 0.000 0.776 441 P CB 0.325 32.047 31.700 0.037 0.000 0.876 442 K N 2.943 123.359 120.400 0.025 0.000 2.412 442 K HA 0.212 4.532 4.320 -0.001 0.000 0.284 442 K C 0.753 177.357 176.600 0.007 0.000 1.046 442 K CA 0.113 56.408 56.287 0.014 0.000 0.999 442 K CB -0.969 31.534 32.500 0.006 0.000 0.941 442 K HN 0.754 nan 8.250 nan 0.000 0.474 443 I N -0.358 120.211 120.570 -0.001 0.000 4.026 443 I HA 0.208 4.378 4.170 -0.001 0.000 0.324 443 I C 1.047 177.147 176.117 -0.028 0.000 1.474 443 I CA -0.435 60.860 61.300 -0.008 0.000 1.107 443 I CB 0.967 38.967 38.000 -0.001 0.000 1.345 443 I HN 0.288 nan 8.210 nan 0.000 0.531 444 V N 1.603 121.495 119.914 -0.036 0.000 3.026 444 V HA -0.093 4.027 4.120 -0.001 0.000 0.265 444 V C 1.520 177.588 176.094 -0.045 0.000 1.121 444 V CA 2.137 64.403 62.300 -0.057 0.000 1.142 444 V CB -0.356 31.435 31.823 -0.054 0.000 0.730 444 V HN 0.592 nan 8.190 nan 0.000 0.503 445 E N -0.585 119.599 120.200 -0.028 0.000 2.789 445 E HA 0.210 4.559 4.350 -0.001 0.000 0.208 445 E C -0.373 176.221 176.600 -0.010 0.000 0.988 445 E CA -0.399 55.990 56.400 -0.019 0.000 1.092 445 E CB 0.912 30.604 29.700 -0.014 0.000 1.066 445 E HN 0.367 nan 8.360 nan 0.000 0.465 446 L N 1.212 122.429 121.223 -0.010 0.000 2.350 446 L HA 0.206 4.546 4.340 -0.001 0.000 0.275 446 L C 0.561 177.437 176.870 0.011 0.000 1.099 446 L CA 0.466 55.309 54.840 0.005 0.000 0.808 446 L CB 0.867 42.928 42.059 0.003 0.000 1.149 446 L HN -0.016 nan 8.230 nan 0.000 0.442 447 D N 1.848 122.268 120.400 0.034 0.000 2.652 447 D HA 0.028 4.668 4.640 -0.001 0.000 0.261 447 D C -0.064 176.288 176.300 0.087 0.000 1.024 447 D CA 0.490 54.519 54.000 0.048 0.000 0.958 447 D CB 0.147 40.978 40.800 0.052 0.000 1.113 447 D HN 0.500 nan 8.370 nan 0.000 0.471 448 H N 0.414 119.477 119.070 -0.012 0.000 2.609 448 H HA 0.521 5.077 4.556 -0.001 0.000 0.344 448 H C -1.660 173.657 175.328 -0.017 0.000 1.040 448 H CA -0.880 55.160 56.048 -0.013 0.000 1.216 448 H CB 1.664 31.420 29.762 -0.010 0.000 1.529 448 H HN -0.009 nan 8.280 nan 0.000 0.519 449 L N 4.714 125.998 121.223 0.102 0.000 2.356 449 L HA 0.495 4.835 4.340 -0.001 0.000 0.277 449 L C -1.041 175.828 176.870 -0.002 0.000 0.996 449 L CA -0.045 54.865 54.840 0.117 0.000 0.822 449 L CB 2.101 44.163 42.059 0.006 0.000 1.256 449 L HN 0.623 nan 8.230 nan 0.000 0.413 450 T N 6.615 121.259 114.554 0.150 0.000 2.840 450 T HA 0.633 4.983 4.350 -0.001 0.000 0.287 450 T C -0.614 174.100 174.700 0.023 0.000 0.991 450 T CA -0.119 62.029 62.100 0.081 0.000 0.964 450 T CB 0.713 69.730 68.868 0.249 0.000 0.954 450 T HN 0.450 nan 8.240 nan 0.000 0.438 451 I N 2.970 123.504 120.570 -0.060 0.000 2.439 451 I HA 0.350 4.519 4.170 -0.001 0.000 0.285 451 I C 0.049 176.170 176.117 0.007 0.000 1.021 451 I CA -0.527 60.733 61.300 -0.067 0.000 1.091 451 I CB 2.022 39.883 38.000 -0.231 0.000 1.242 451 I HN 0.429 nan 8.210 nan 0.000 0.439 452 T N 4.234 118.840 114.554 0.087 0.000 2.829 452 T HA 0.761 5.111 4.350 -0.001 0.000 0.280 452 T C 0.155 174.969 174.700 0.191 0.000 0.999 452 T CA 0.374 62.557 62.100 0.138 0.000 0.983 452 T CB 1.803 70.732 68.868 0.101 0.000 0.968 452 T HN 1.039 nan 8.240 nan 0.000 0.446 453 G N 3.563 112.522 108.800 0.266 0.000 2.627 453 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.214 453 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.214 453 G C -0.473 174.539 174.900 0.186 0.000 1.331 453 G CA -0.635 44.629 45.100 0.273 0.000 0.891 453 G HN 0.814 nan 8.290 nan 0.000 0.539 454 N N -0.017 118.622 118.700 -0.101 0.000 2.602 454 N HA 0.517 5.256 4.740 -0.001 0.000 0.238 454 N C -0.510 174.919 175.510 -0.135 0.000 1.084 454 N CA -0.046 52.711 53.050 -0.488 0.000 0.952 454 N CB 0.821 38.990 38.487 -0.529 0.000 1.244 454 N HN 0.737 nan 8.380 nan 0.000 0.512 455 V N 3.922 123.743 119.914 -0.156 0.000 2.588 455 V HA 0.523 4.642 4.120 -0.001 0.000 0.304 455 V C -0.756 175.254 176.094 -0.141 0.000 1.042 455 V CA -0.701 61.622 62.300 0.037 0.000 0.877 455 V CB 1.083 33.011 31.823 0.176 0.000 0.996 455 V HN 0.336 nan 8.190 nan 0.000 0.425 456 F N 4.425 124.388 119.950 0.021 0.000 2.495 456 F HA 0.704 5.230 4.527 -0.001 0.000 0.327 456 F C -0.310 175.509 175.800 0.033 0.000 1.103 456 F CA -0.723 57.278 58.000 0.002 0.000 0.949 456 F CB 1.870 40.847 39.000 -0.037 0.000 1.142 456 F HN 0.216 nan 8.300 nan 0.000 0.457 457 L N 2.398 123.723 121.223 0.171 0.000 2.333 457 L HA 0.663 5.003 4.340 -0.001 0.000 0.280 457 L C 0.477 177.426 176.870 0.132 0.000 1.004 457 L CA -0.159 54.752 54.840 0.119 0.000 0.820 457 L CB 1.446 43.546 42.059 0.068 0.000 1.247 457 L HN 0.709 nan 8.230 nan 0.000 0.416 458 G N 1.790 110.659 108.800 0.114 0.000 2.570 458 G HA2 0.475 4.434 3.960 -0.001 0.000 0.276 458 G HA3 0.475 4.434 3.960 -0.001 0.000 0.276 458 G C -0.344 174.631 174.900 0.125 0.000 1.346 458 G CA -0.063 45.105 45.100 0.115 0.000 1.034 458 G HN 0.714 nan 8.290 nan 0.000 0.512 459 K N -0.354 120.064 120.400 0.030 0.000 2.270 459 K HA 0.402 4.721 4.320 -0.001 0.000 0.276 459 K C 0.534 177.091 176.600 -0.072 0.000 1.023 459 K CA 0.276 56.463 56.287 -0.166 0.000 0.955 459 K CB -0.217 32.041 32.500 -0.404 0.000 0.975 459 K HN 0.737 nan 8.250 nan 0.000 0.471 460 D N -0.034 120.331 120.400 -0.059 0.000 2.697 460 D HA -0.131 4.508 4.640 -0.001 0.000 0.238 460 D C -0.362 175.936 176.300 -0.002 0.000 1.152 460 D CA 0.934 54.918 54.000 -0.027 0.000 0.666 460 D CB -1.640 39.134 40.800 -0.044 0.000 1.037 460 D HN 0.377 nan 8.370 nan 0.000 0.423 461 V N 0.315 120.239 119.914 0.018 0.000 2.686 461 V HA 0.369 4.489 4.120 -0.001 0.000 0.295 461 V C 1.081 177.185 176.094 0.016 0.000 1.057 461 V CA 0.092 62.404 62.300 0.020 0.000 1.012 461 V CB 1.981 33.823 31.823 0.031 0.000 1.006 461 V HN 0.117 nan 8.190 nan 0.000 0.477 462 T N 5.353 119.914 114.554 0.011 0.000 2.824 462 T HA 0.616 4.965 4.350 -0.001 0.000 0.282 462 T C -0.566 174.139 174.700 0.009 0.000 0.993 462 T CA -0.304 61.801 62.100 0.008 0.000 0.967 462 T CB 0.792 69.662 68.868 0.003 0.000 0.960 462 T HN 0.423 nan 8.240 nan 0.000 0.441 463 L N 4.128 125.356 121.223 0.009 0.000 2.324 463 L HA 0.546 4.886 4.340 -0.001 0.000 0.274 463 L C 0.305 177.180 176.870 0.008 0.000 1.012 463 L CA -0.689 54.157 54.840 0.010 0.000 0.859 463 L CB 1.123 43.190 42.059 0.013 0.000 1.224 463 L HN 0.321 nan 8.230 nan 0.000 0.429 464 R N 1.482 121.986 120.500 0.006 0.000 2.407 464 R HA 0.672 5.012 4.340 -0.001 0.000 0.303 464 R C 0.826 177.131 176.300 0.008 0.000 0.981 464 R CA 0.624 56.726 56.100 0.004 0.000 0.905 464 R CB 1.756 32.056 30.300 0.000 0.000 1.099 464 R HN 0.792 nan 8.270 nan 0.000 0.459 465 G N 1.685 110.491 108.800 0.010 0.000 2.609 465 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.288 465 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.288 465 G C -0.547 174.369 174.900 0.027 0.000 1.211 465 G CA 0.168 45.275 45.100 0.013 0.000 0.963 465 G HN 0.565 nan 8.290 nan 0.000 0.541 466 T N 1.011 115.570 114.554 0.007 0.000 2.770 466 T HA 0.607 4.957 4.350 -0.001 0.000 0.283 466 T C -0.362 174.334 174.700 -0.008 0.000 0.988 466 T CA -0.145 61.951 62.100 -0.006 0.000 0.957 466 T CB 2.076 70.883 68.868 -0.101 0.000 0.930 466 T HN 0.879 nan 8.240 nan 0.000 0.443 467 V N 5.070 125.005 119.914 0.036 0.000 2.495 467 V HA 0.561 4.680 4.120 -0.001 0.000 0.298 467 V C -0.418 175.702 176.094 0.043 0.000 1.031 467 V CA -0.809 61.508 62.300 0.028 0.000 0.871 467 V CB 1.639 33.483 31.823 0.035 0.000 0.988 467 V HN 0.814 nan 8.190 nan 0.000 0.432 468 I N 6.033 126.611 120.570 0.013 0.000 2.439 468 I HA 0.488 4.658 4.170 -0.001 0.000 0.283 468 I C -0.804 175.329 176.117 0.027 0.000 1.023 468 I CA -0.248 61.068 61.300 0.027 0.000 1.100 468 I CB 1.743 39.738 38.000 -0.008 0.000 1.238 468 I HN 0.425 nan 8.210 nan 0.000 0.445 469 I N 7.396 127.988 120.570 0.037 0.000 2.354 469 I HA 0.396 4.566 4.170 -0.001 0.000 0.286 469 I C -0.439 175.712 176.117 0.057 0.000 1.007 469 I CA -0.859 60.466 61.300 0.042 0.000 1.167 469 I CB 1.764 39.789 38.000 0.041 0.000 1.320 469 I HN 0.285 nan 8.210 nan 0.000 0.458 470 V N 6.508 126.458 119.914 0.059 0.000 2.483 470 V HA 0.515 4.635 4.120 -0.001 0.000 0.297 470 V C -1.072 175.073 176.094 0.085 0.000 1.027 470 V CA -0.365 61.980 62.300 0.075 0.000 0.855 470 V CB 1.633 33.496 31.823 0.066 0.000 0.995 470 V HN 0.928 nan 8.190 nan 0.000 0.424 471 C N 5.980 125.346 119.300 0.110 0.000 2.319 471 C HA 0.761 5.221 4.460 -0.001 0.000 0.323 471 C C 0.868 175.955 174.990 0.161 0.000 1.277 471 C CA -0.007 59.091 59.018 0.134 0.000 1.517 471 C CB 0.471 28.287 27.740 0.126 0.000 2.206 471 C HN 1.093 nan 8.230 nan 0.000 0.486 472 S N 3.437 119.269 115.700 0.221 0.000 2.606 472 S HA 0.355 4.825 4.470 -0.001 0.000 0.257 472 S C 0.468 175.086 174.600 0.030 0.000 1.327 472 S CA 0.447 58.744 58.200 0.161 0.000 0.984 472 S CB 0.379 63.711 63.200 0.219 0.000 0.941 472 S HN 1.025 nan 8.310 nan 0.000 0.576 473 D N -0.590 119.777 120.400 -0.055 0.000 2.455 473 D HA 0.417 5.057 4.640 -0.001 0.000 0.241 473 D C 1.293 177.444 176.300 -0.248 0.000 1.138 473 D CA 0.154 54.106 54.000 -0.081 0.000 0.877 473 D CB -0.599 40.169 40.800 -0.053 0.000 1.187 473 D HN 1.126 nan 8.370 nan 0.000 0.451 474 G N 0.760 109.485 108.800 -0.125 0.000 2.189 474 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.267 474 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.267 474 G C 0.397 175.231 174.900 -0.109 0.000 0.975 474 G CA 1.054 46.075 45.100 -0.132 0.000 0.644 474 G HN 1.042 nan 8.290 nan 0.000 0.537 475 H N -0.598 118.494 119.070 0.038 0.000 2.580 475 H HA 0.786 5.341 4.556 -0.001 0.000 0.324 475 H C 0.261 175.603 175.328 0.023 0.000 1.436 475 H CA -0.328 55.737 56.048 0.028 0.000 1.464 475 H CB 1.217 30.997 29.762 0.031 0.000 1.752 475 H HN 0.168 nan 8.280 nan 0.000 0.726 476 K N 1.114 121.621 120.400 0.178 0.000 2.542 476 K HA 0.388 4.707 4.320 -0.001 0.000 0.259 476 K C -1.892 174.768 176.600 0.100 0.000 0.932 476 K CA -0.604 55.753 56.287 0.117 0.000 0.820 476 K CB 2.278 34.825 32.500 0.079 0.000 1.345 476 K HN 0.573 nan 8.250 nan 0.000 0.432 477 I N 1.534 122.183 120.570 0.132 0.000 2.534 477 I HA 0.445 4.615 4.170 -0.001 0.000 0.288 477 I C -1.575 174.634 176.117 0.154 0.000 1.077 477 I CA -0.540 60.824 61.300 0.107 0.000 1.051 477 I CB 2.004 40.047 38.000 0.071 0.000 1.234 477 I HN 0.525 nan 8.210 nan 0.000 0.425 478 D N 7.943 128.403 120.400 0.101 0.000 2.443 478 D HA 0.374 5.014 4.640 -0.001 0.000 0.221 478 D C -0.228 176.120 176.300 0.080 0.000 1.097 478 D CA -0.019 54.043 54.000 0.103 0.000 0.865 478 D CB 1.538 42.355 40.800 0.028 0.000 1.034 478 D HN 0.435 nan 8.370 nan 0.000 0.511 479 I N 5.354 125.982 120.570 0.097 0.000 2.494 479 I HA 0.085 4.255 4.170 -0.001 0.000 0.289 479 I C -1.859 174.290 176.117 0.054 0.000 1.106 479 I CA -1.485 59.855 61.300 0.066 0.000 1.369 479 I CB 0.579 38.618 38.000 0.065 0.000 1.410 479 I HN 0.093 nan 8.210 nan 0.000 0.523 480 P HA 0.058 nan 4.420 nan 0.000 0.271 480 P C -0.762 176.549 177.300 0.018 0.000 1.216 480 P CA -0.387 62.727 63.100 0.023 0.000 0.771 480 P CB 0.360 32.067 31.700 0.012 0.000 0.864 481 N N 1.853 120.561 118.700 0.013 0.000 2.138 481 N HA -0.008 4.732 4.740 -0.001 0.000 0.271 481 N C 1.583 177.090 175.510 -0.006 0.000 1.272 481 N CA 1.928 54.978 53.050 -0.001 0.000 0.819 481 N CB -0.552 37.925 38.487 -0.017 0.000 1.052 481 N HN 0.796 nan 8.380 nan 0.000 0.479 482 G N 0.645 109.440 108.800 -0.009 0.000 2.176 482 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.252 482 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.252 482 G C 0.023 174.921 174.900 -0.003 0.000 1.024 482 G CA 0.497 45.591 45.100 -0.010 0.000 0.755 482 G HN 0.835 nan 8.290 nan 0.000 0.507 483 S N -0.926 114.777 115.700 0.004 0.000 2.562 483 S HA 0.730 5.199 4.470 -0.001 0.000 0.275 483 S C 0.084 174.688 174.600 0.006 0.000 1.281 483 S CA -0.778 57.425 58.200 0.006 0.000 1.045 483 S CB 2.328 65.534 63.200 0.010 0.000 0.962 483 S HN 0.466 nan 8.310 nan 0.000 0.503 484 I N 2.668 123.240 120.570 0.004 0.000 2.388 484 I HA 0.281 4.450 4.170 -0.001 0.000 0.281 484 I C -0.804 175.315 176.117 0.004 0.000 1.046 484 I CA -0.312 60.989 61.300 0.003 0.000 1.187 484 I CB 0.622 38.622 38.000 -0.000 0.000 1.351 484 I HN 0.513 nan 8.210 nan 0.000 0.472 485 L N 6.861 128.088 121.223 0.006 0.000 2.257 485 L HA 0.513 4.853 4.340 -0.001 0.000 0.290 485 L C -0.043 176.830 176.870 0.005 0.000 1.044 485 L CA -0.242 54.602 54.840 0.006 0.000 0.810 485 L CB 1.044 43.110 42.059 0.011 0.000 1.193 485 L HN 0.549 nan 8.230 nan 0.000 0.425 486 E N 4.528 124.729 120.200 0.001 0.000 2.265 486 E HA 0.232 4.581 4.350 -0.001 0.000 0.262 486 E C -0.766 175.831 176.600 -0.005 0.000 0.889 486 E CA -0.591 55.808 56.400 -0.001 0.000 0.789 486 E CB 0.944 30.643 29.700 -0.002 0.000 1.221 486 E HN 0.645 nan 8.360 nan 0.000 0.414 487 N N 1.817 120.512 118.700 -0.008 0.000 2.681 487 N HA -0.186 4.554 4.740 -0.001 0.000 0.259 487 N C -1.045 174.454 175.510 -0.019 0.000 1.066 487 N CA 0.807 53.847 53.050 -0.017 0.000 0.717 487 N CB -0.813 37.664 38.487 -0.016 0.000 0.885 487 N HN 0.327 nan 8.380 nan 0.000 0.547 488 V N -3.591 116.312 119.914 -0.019 0.000 3.114 488 V HA 0.801 4.920 4.120 -0.001 0.000 0.308 488 V C 0.064 176.148 176.094 -0.017 0.000 1.168 488 V CA -0.986 61.305 62.300 -0.015 0.000 1.015 488 V CB 2.427 34.246 31.823 -0.006 0.000 1.050 488 V HN -0.143 nan 8.190 nan 0.000 0.433 489 V N 2.466 122.372 119.914 -0.014 0.000 2.384 489 V HA 0.629 4.749 4.120 -0.001 0.000 0.287 489 V C -0.003 176.092 176.094 0.002 0.000 1.020 489 V CA -0.382 61.913 62.300 -0.008 0.000 0.850 489 V CB 1.423 33.239 31.823 -0.011 0.000 0.987 489 V HN 1.027 nan 8.190 nan 0.000 0.436 490 V N 4.489 124.409 119.914 0.010 0.000 2.459 490 V HA 0.904 5.023 4.120 -0.001 0.000 0.295 490 V C -0.320 175.786 176.094 0.021 0.000 1.029 490 V CA 0.396 62.705 62.300 0.014 0.000 0.874 490 V CB 1.862 33.695 31.823 0.016 0.000 0.985 490 V HN 0.986 nan 8.190 nan 0.000 0.438 491 T N 3.568 118.132 114.554 0.016 0.000 2.843 491 T HA 0.888 5.237 4.350 -0.001 0.000 0.302 491 T C -0.150 174.550 174.700 -0.001 0.000 1.232 491 T CA 0.591 62.703 62.100 0.020 0.000 1.009 491 T CB 1.284 70.167 68.868 0.025 0.000 1.254 491 T HN 2.260 nan 8.240 nan 0.000 0.504 492 G N 2.288 111.078 108.800 -0.016 0.000 2.250 492 G HA2 0.172 4.132 3.960 -0.001 0.000 0.252 492 G HA3 0.172 4.132 3.960 -0.001 0.000 0.252 492 G C -1.482 173.336 174.900 -0.136 0.000 1.325 492 G CA -0.137 44.913 45.100 -0.082 0.000 1.091 492 G HN 0.942 nan 8.290 nan 0.000 0.476 493 N N -0.212 118.403 118.700 -0.140 0.000 2.827 493 N HA 0.419 5.158 4.740 -0.001 0.000 0.240 493 N C -1.814 173.655 175.510 -0.068 0.000 1.352 493 N CA -0.313 52.652 53.050 -0.143 0.000 0.760 493 N CB 1.092 39.386 38.487 -0.321 0.000 1.426 493 N HN 0.774 nan 8.380 nan 0.000 0.561 494 L N 1.913 123.122 121.223 -0.023 0.000 2.325 494 L HA 0.672 5.011 4.340 -0.001 0.000 0.281 494 L C 0.045 176.910 176.870 -0.009 0.000 1.004 494 L CA -0.172 54.659 54.840 -0.015 0.000 0.823 494 L CB 1.283 43.339 42.059 -0.004 0.000 1.236 494 L HN 0.498 nan 8.230 nan 0.000 0.415 495 Q N 5.352 125.140 119.800 -0.019 0.000 2.256 495 Q HA 0.714 5.053 4.340 -0.001 0.000 0.257 495 Q C -1.047 174.935 176.000 -0.029 0.000 0.936 495 Q CA -0.304 55.480 55.803 -0.032 0.000 0.903 495 Q CB 1.881 30.597 28.738 -0.036 0.000 1.263 495 Q HN 0.726 nan 8.270 nan 0.000 0.440 496 I N 2.664 123.211 120.570 -0.039 0.000 2.418 496 I HA 0.486 4.655 4.170 -0.001 0.000 0.287 496 I C -0.816 175.280 176.117 -0.036 0.000 1.008 496 I CA -0.705 60.579 61.300 -0.027 0.000 1.104 496 I CB 1.679 39.670 38.000 -0.016 0.000 1.264 496 I HN 0.581 nan 8.210 nan 0.000 0.438 497 L N 5.883 127.096 121.223 -0.017 0.000 2.356 497 L HA 0.354 4.694 4.340 -0.001 0.000 0.277 497 L C 0.348 177.224 176.870 0.011 0.000 0.996 497 L CA -0.629 54.201 54.840 -0.016 0.000 0.822 497 L CB 2.067 44.120 42.059 -0.009 0.000 1.256 497 L HN 0.591 nan 8.230 nan 0.000 0.413 498 E N 4.421 124.620 120.200 -0.001 0.000 2.603 498 E HA -0.105 4.244 4.350 -0.001 0.000 0.242 498 E C -0.124 176.494 176.600 0.030 0.000 1.083 498 E CA 0.078 56.487 56.400 0.014 0.000 0.950 498 E CB 0.231 29.925 29.700 -0.009 0.000 0.952 498 E HN 0.455 nan 8.360 nan 0.000 0.498 499 H N 0.000 119.058 119.070 -0.020 0.000 2.539 499 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 499 H CA 0.000 56.037 56.048 -0.018 0.000 1.023 499 H CB 0.000 29.753 29.762 -0.016 0.000 1.292 499 H HN 0.000 nan 8.280 nan 0.000 0.496