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 1h6v_1_B DATA FIRST_RESID 9 DATA SEQUENCE KSYDFDLIII GGGSGGLAAA KEAAKFDKKV MVLDFVTPTP LGTNWGLGGT DATA SEQUENCE CVNVGCIPKK LMHQAALLGQ ALKDSRNYGW KLEDTVKHDW EKMTESVQNH DATA SEQUENCE IGSLNWGYRV ALREKKVVYE NAYGKFIGPH KIMATNNKGK EKVYSAERFL DATA SEQUENCE IATGERPRYL GIPGDKEYCI SSDDLFSLPY CPGKTLVVGA SYVALECAGF DATA SEQUENCE LAGIGLDVTV MVRSILLRGF DQDMANKIGE HMEEHGIKFI RQFVPTKIEQ DATA SEQUENCE IEAGTPGRLK VTAKSTNSEE TIEDEFNTVL LAVGRDSCTR TIGLETVGVK DATA SEQUENCE INEKTGKIPV TDEEQTNVPY IYAIGDILEG KLELTPVAIQ AGRLLAQRLY DATA SEQUENCE GGSTVKCDYD NVPTTVFTPL EYGCCGLSEE KAVEKFGEEN IEVYHSFFWP DATA SEQUENCE LEWTVPSRDN NKCYAKVICN LKDNERVVGF HVLGPNAGEV TQGFAAALKC DATA SEQUENCE GLTKQQLDST IGIHPVCAEI FTTLSVTKRS GGDILQS 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.358 176.600 -0.403 0.000 0.988 9 K CA 0.000 56.121 56.287 -0.276 0.000 0.838 9 K CB 0.000 32.483 32.500 -0.028 0.000 1.064 10 S N 1.221 116.640 115.700 -0.469 0.000 2.422 10 S HA 0.591 5.061 4.470 -0.000 0.000 0.298 10 S C -0.969 173.370 174.600 -0.435 0.000 1.118 10 S CA -0.324 57.679 58.200 -0.329 0.000 1.083 10 S CB 0.080 63.178 63.200 -0.170 0.000 0.971 10 S HN 0.309 nan 8.310 nan 0.000 0.478 11 Y N 1.733 122.025 120.300 -0.014 0.000 2.650 11 Y HA 0.433 4.983 4.550 -0.000 0.000 0.331 11 Y C 1.388 177.275 175.900 -0.022 0.000 1.082 11 Y CA -1.162 56.948 58.100 0.017 0.000 1.171 11 Y CB 0.610 39.116 38.460 0.076 0.000 1.326 11 Y HN 0.433 nan 8.280 nan 0.000 0.513 12 D N 0.054 120.554 120.400 0.166 0.000 2.178 12 D HA -0.025 4.615 4.640 -0.000 0.000 0.202 12 D C -0.582 175.466 176.300 -0.420 0.000 0.974 12 D CA 1.728 55.659 54.000 -0.114 0.000 0.841 12 D CB 0.126 40.918 40.800 -0.015 0.000 0.953 12 D HN 0.181 nan 8.370 nan 0.000 0.478 13 F N -0.651 119.384 119.950 0.141 0.000 2.601 13 F HA 0.175 4.702 4.527 -0.000 0.000 0.309 13 F C 0.715 176.520 175.800 0.008 0.000 1.089 13 F CA -0.994 57.040 58.000 0.057 0.000 0.940 13 F CB 1.856 40.870 39.000 0.023 0.000 1.273 13 F HN -0.376 nan 8.300 nan 0.000 0.450 14 D N 0.941 121.457 120.400 0.194 0.000 2.183 14 D HA 0.073 4.713 4.640 -0.000 0.000 0.203 14 D C -0.447 175.888 176.300 0.059 0.000 0.969 14 D CA 1.258 55.307 54.000 0.082 0.000 0.842 14 D CB 0.429 41.212 40.800 -0.029 0.000 0.957 14 D HN 0.152 nan 8.370 nan 0.000 0.484 15 L N 0.202 121.457 121.223 0.053 0.000 2.614 15 L HA 0.385 4.724 4.340 -0.000 0.000 0.264 15 L C -2.025 174.769 176.870 -0.128 0.000 0.940 15 L CA -0.411 54.414 54.840 -0.026 0.000 0.903 15 L CB 1.624 43.749 42.059 0.110 0.000 1.306 15 L HN -0.178 nan 8.230 nan 0.000 0.410 16 I N 5.693 126.096 120.570 -0.278 0.000 2.377 16 I HA 0.457 4.627 4.170 -0.000 0.000 0.293 16 I C -0.591 175.526 176.117 0.000 0.000 0.987 16 I CA -0.580 60.594 61.300 -0.210 0.000 1.185 16 I CB 1.803 39.716 38.000 -0.146 0.000 1.341 16 I HN 0.535 nan 8.210 nan 0.000 0.455 17 I N 7.372 127.917 120.570 -0.041 0.000 2.354 17 I HA 0.324 4.494 4.170 -0.000 0.000 0.286 17 I C -0.183 175.915 176.117 -0.032 0.000 1.007 17 I CA -0.427 60.875 61.300 0.003 0.000 1.167 17 I CB 1.232 39.220 38.000 -0.019 0.000 1.320 17 I HN 0.360 nan 8.210 nan 0.000 0.458 18 I N 6.689 127.246 120.570 -0.021 0.000 2.278 18 I HA 0.465 4.635 4.170 -0.000 0.000 0.296 18 I C 0.624 176.684 176.117 -0.095 0.000 1.121 18 I CA -0.021 61.211 61.300 -0.112 0.000 1.267 18 I CB 0.180 38.071 38.000 -0.183 0.000 1.447 18 I HN 0.821 nan 8.210 nan 0.000 0.509 19 G N 3.503 112.247 108.800 -0.092 0.000 3.239 19 G HA2 0.048 4.008 3.960 -0.000 0.000 0.666 19 G HA3 0.048 4.008 3.960 -0.000 0.000 0.666 19 G C -0.043 174.817 174.900 -0.066 0.000 1.313 19 G CA -0.613 44.444 45.100 -0.072 0.000 1.001 19 G HN 0.812 nan 8.290 nan 0.000 0.573 20 G N 0.631 109.386 108.800 -0.075 0.000 3.782 20 G HA2 0.630 4.590 3.960 -0.000 0.000 0.288 20 G HA3 0.630 4.590 3.960 -0.000 0.000 0.288 20 G C 0.883 175.673 174.900 -0.183 0.000 1.300 20 G CA 0.935 45.951 45.100 -0.140 0.000 1.261 20 G HN 1.179 nan 8.290 nan 0.000 0.591 21 G N -0.214 108.513 108.800 -0.122 0.000 2.641 21 G HA2 0.350 4.310 3.960 -0.000 0.000 0.239 21 G HA3 0.350 4.310 3.960 -0.000 0.000 0.239 21 G C 1.215 176.036 174.900 -0.130 0.000 1.402 21 G CA 0.315 45.343 45.100 -0.119 0.000 1.046 21 G HN 0.147 nan 8.290 nan 0.000 0.565 22 S N -0.563 115.089 115.700 -0.080 0.000 2.365 22 S HA -0.127 4.343 4.470 -0.000 0.000 0.225 22 S C 2.371 176.953 174.600 -0.031 0.000 1.039 22 S CA 2.018 60.187 58.200 -0.052 0.000 1.033 22 S CB -0.609 62.584 63.200 -0.013 0.000 0.887 22 S HN 0.744 nan 8.310 nan 0.000 0.447 23 G N 0.325 109.115 108.800 -0.015 0.000 2.411 23 G HA2 0.124 4.084 3.960 -0.000 0.000 0.213 23 G HA3 0.124 4.084 3.960 -0.000 0.000 0.213 23 G C 1.426 176.320 174.900 -0.010 0.000 1.166 23 G CA 0.744 45.844 45.100 -0.000 0.000 0.802 23 G HN 0.556 nan 8.290 nan 0.000 0.533 24 G N 1.395 110.179 108.800 -0.027 0.000 2.480 24 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 24 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 24 G C 1.802 176.677 174.900 -0.042 0.000 1.200 24 G CA 0.914 45.994 45.100 -0.033 0.000 0.782 24 G HN 0.392 nan 8.290 nan 0.000 0.554 25 L N 0.847 122.022 121.223 -0.080 0.000 2.127 25 L HA -0.078 4.262 4.340 -0.000 0.000 0.211 25 L C 3.398 180.267 176.870 -0.002 0.000 1.089 25 L CA 0.947 55.748 54.840 -0.066 0.000 0.757 25 L CB -0.453 41.523 42.059 -0.138 0.000 0.899 25 L HN 0.322 nan 8.230 nan 0.000 0.434 26 A N 0.271 123.092 122.820 0.002 0.000 1.858 26 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 26 A C 2.594 180.196 177.584 0.030 0.000 1.190 26 A CA 1.771 53.823 52.037 0.024 0.000 0.617 26 A CB -0.827 18.183 19.000 0.016 0.000 0.827 26 A HN 0.376 nan 8.150 nan 0.000 0.443 27 A N -0.104 122.729 122.820 0.022 0.000 1.908 27 A HA 0.079 4.399 4.320 -0.000 0.000 0.218 27 A C 2.517 180.138 177.584 0.062 0.000 1.181 27 A CA 2.438 54.496 52.037 0.035 0.000 0.627 27 A CB -1.140 17.872 19.000 0.021 0.000 0.818 27 A HN 1.120 nan 8.150 nan 0.000 0.445 28 A N 0.916 123.760 122.820 0.040 0.000 1.841 28 A HA -0.250 4.069 4.320 -0.000 0.000 0.216 28 A C 2.146 179.766 177.584 0.060 0.000 1.199 28 A CA 2.557 54.620 52.037 0.043 0.000 0.621 28 A CB -0.725 18.282 19.000 0.011 0.000 0.835 28 A HN 0.733 nan 8.150 nan 0.000 0.445 29 K N -1.097 119.334 120.400 0.051 0.000 2.059 29 K HA -0.255 4.065 4.320 -0.000 0.000 0.212 29 K C 1.695 178.331 176.600 0.060 0.000 1.050 29 K CA 1.925 58.241 56.287 0.048 0.000 0.927 29 K CB -0.303 32.223 32.500 0.044 0.000 0.714 29 K HN 0.359 nan 8.250 nan 0.000 0.447 30 E N 0.810 121.065 120.200 0.091 0.000 2.028 30 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 30 E C 2.269 179.028 176.600 0.264 0.000 0.984 30 E CA 1.262 57.752 56.400 0.149 0.000 0.800 30 E CB -0.562 29.240 29.700 0.171 0.000 0.758 30 E HN 0.479 nan 8.360 nan 0.000 0.448 31 A N 1.720 124.703 122.820 0.271 0.000 1.940 31 A HA -0.270 4.050 4.320 -0.000 0.000 0.221 31 A C 2.413 180.164 177.584 0.279 0.000 1.190 31 A CA 2.738 54.997 52.037 0.369 0.000 0.647 31 A CB -0.825 18.339 19.000 0.273 0.000 0.821 31 A HN 0.289 nan 8.150 nan 0.000 0.457 32 A N -0.574 122.331 122.820 0.140 0.000 2.076 32 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 32 A C 1.992 179.575 177.584 -0.002 0.000 1.160 32 A CA 1.821 53.895 52.037 0.063 0.000 0.653 32 A CB -0.442 18.580 19.000 0.037 0.000 0.801 32 A HN 0.627 nan 8.150 nan 0.000 0.455 33 K N -1.381 118.967 120.400 -0.087 0.000 2.362 33 K HA -0.028 4.292 4.320 -0.000 0.000 0.200 33 K C -0.048 176.255 176.600 -0.496 0.000 1.046 33 K CA 0.873 56.946 56.287 -0.356 0.000 0.952 33 K CB -0.136 31.997 32.500 -0.611 0.000 0.753 33 K HN 0.585 nan 8.250 nan 0.000 0.466 34 F N 1.162 121.119 119.950 0.011 0.000 2.730 34 F HA 0.114 4.641 4.527 -0.000 0.000 0.295 34 F C -0.156 175.620 175.800 -0.041 0.000 1.143 34 F CA -0.856 57.145 58.000 0.001 0.000 1.367 34 F CB -0.189 38.835 39.000 0.039 0.000 0.970 34 F HN -0.047 nan 8.300 nan 0.000 0.514 35 D N 2.221 122.653 120.400 0.053 0.000 3.205 35 D HA -0.209 4.430 4.640 -0.000 0.000 0.227 35 D C -0.641 175.658 176.300 -0.002 0.000 1.171 35 D CA 0.626 54.640 54.000 0.023 0.000 0.929 35 D CB -0.232 40.581 40.800 0.021 0.000 0.900 35 D HN 0.054 nan 8.370 nan 0.000 0.404 36 K N 1.930 122.315 120.400 -0.026 0.000 2.464 36 K HA 0.368 4.688 4.320 -0.000 0.000 0.253 36 K C -0.004 176.590 176.600 -0.010 0.000 0.933 36 K CA -0.751 55.479 56.287 -0.095 0.000 0.801 36 K CB 1.372 33.690 32.500 -0.303 0.000 1.271 36 K HN 0.154 nan 8.250 nan 0.000 0.430 37 K N 1.514 121.934 120.400 0.032 0.000 2.363 37 K HA 0.218 4.538 4.320 -0.000 0.000 0.289 37 K C 0.225 177.002 176.600 0.294 0.000 1.063 37 K CA -0.331 56.055 56.287 0.164 0.000 0.967 37 K CB 0.541 33.102 32.500 0.102 0.000 0.987 37 K HN 0.386 nan 8.250 nan 0.000 0.473 38 V N 2.291 122.353 119.914 0.247 0.000 2.962 38 V HA 0.731 4.851 4.120 -0.000 0.000 0.313 38 V C -1.070 174.959 176.094 -0.109 0.000 1.099 38 V CA -1.079 61.270 62.300 0.081 0.000 0.971 38 V CB 2.040 33.880 31.823 0.029 0.000 1.028 38 V HN 0.886 nan 8.190 nan 0.000 0.430 39 M N 5.699 125.035 119.600 -0.440 0.000 2.433 39 M HA 0.811 5.291 4.480 -0.000 0.000 0.290 39 M C -2.171 173.938 176.300 -0.318 0.000 1.173 39 M CA -0.680 54.318 55.300 -0.503 0.000 0.905 39 M CB 2.159 34.097 32.600 -1.104 0.000 1.692 39 M HN 1.066 nan 8.290 nan 0.000 0.462 40 V N 5.914 125.734 119.914 -0.157 0.000 2.495 40 V HA 0.631 4.751 4.120 -0.000 0.000 0.298 40 V C -1.419 174.658 176.094 -0.029 0.000 1.031 40 V CA -0.614 61.637 62.300 -0.082 0.000 0.871 40 V CB 1.878 33.683 31.823 -0.030 0.000 0.988 40 V HN 0.981 nan 8.190 nan 0.000 0.432 41 L N 5.412 126.586 121.223 -0.082 0.000 2.322 41 L HA 0.705 5.045 4.340 -0.000 0.000 0.279 41 L C -0.725 176.155 176.870 0.016 0.000 1.036 41 L CA -0.376 54.425 54.840 -0.064 0.000 0.807 41 L CB 1.733 43.692 42.059 -0.167 0.000 1.226 41 L HN 0.821 nan 8.230 nan 0.000 0.433 42 D N 1.738 122.220 120.400 0.137 0.000 2.947 42 D HA 0.572 5.212 4.640 -0.000 0.000 0.224 42 D C -1.690 174.728 176.300 0.197 0.000 1.230 42 D CA -0.242 53.831 54.000 0.122 0.000 0.871 42 D CB 1.897 42.758 40.800 0.103 0.000 1.671 42 D HN 0.266 nan 8.370 nan 0.000 0.507 43 F N 3.376 123.293 119.950 -0.055 0.000 2.608 43 F HA 0.551 5.078 4.527 -0.000 0.000 0.309 43 F C -1.718 174.045 175.800 -0.062 0.000 1.103 43 F CA -0.655 57.323 58.000 -0.036 0.000 0.954 43 F CB 1.927 40.941 39.000 0.023 0.000 1.267 43 F HN 0.192 nan 8.300 nan 0.000 0.444 44 V N 4.358 123.768 119.914 -0.840 0.000 2.293 44 V HA 0.276 4.396 4.120 -0.000 0.000 0.275 44 V C -0.104 175.638 176.094 -0.588 0.000 1.021 44 V CA -0.488 61.418 62.300 -0.656 0.000 0.815 44 V CB 1.369 32.606 31.823 -0.977 0.000 1.025 44 V HN 0.840 nan 8.190 nan 0.000 0.448 45 T N 4.524 118.990 114.554 -0.146 0.000 2.919 45 T HA 0.418 4.768 4.350 -0.000 0.000 0.302 45 T C -2.255 172.340 174.700 -0.175 0.000 1.031 45 T CA -1.282 60.805 62.100 -0.020 0.000 1.127 45 T CB 1.147 70.086 68.868 0.119 0.000 0.952 45 T HN 0.375 nan 8.240 nan 0.000 0.540 46 P HA 0.195 nan 4.420 nan 0.000 0.270 46 P C 0.501 177.779 177.300 -0.037 0.000 1.223 46 P CA -0.407 62.616 63.100 -0.129 0.000 0.785 46 P CB 0.294 31.953 31.700 -0.068 0.000 0.923 47 T N -0.646 113.923 114.554 0.026 0.000 2.732 47 T HA 0.200 4.550 4.350 -0.000 0.000 0.287 47 T C -1.762 172.964 174.700 0.043 0.000 0.993 47 T CA -1.264 60.895 62.100 0.098 0.000 0.966 47 T CB -0.469 68.506 68.868 0.179 0.000 1.047 47 T HN 0.189 nan 8.240 nan 0.000 0.527 48 P HA 0.050 nan 4.420 nan 0.000 0.219 48 P C 1.242 178.536 177.300 -0.010 0.000 1.150 48 P CA 0.412 63.484 63.100 -0.045 0.000 0.814 48 P CB -0.028 31.583 31.700 -0.148 0.000 0.787 49 L N -1.675 119.573 121.223 0.042 0.000 2.599 49 L HA 0.252 4.592 4.340 -0.000 0.000 0.230 49 L C 1.510 178.414 176.870 0.057 0.000 1.141 49 L CA 1.333 56.205 54.840 0.053 0.000 0.877 49 L CB -1.828 40.285 42.059 0.092 0.000 1.009 49 L HN 0.200 nan 8.230 nan 0.000 0.447 50 G N 0.092 108.919 108.800 0.045 0.000 2.132 50 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.234 50 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.234 50 G C 0.439 175.364 174.900 0.043 0.000 0.989 50 G CA 0.484 45.602 45.100 0.031 0.000 0.676 50 G HN 0.393 nan 8.290 nan 0.000 0.522 51 T N -0.093 114.513 114.554 0.087 0.000 2.897 51 T HA 0.609 4.959 4.350 -0.000 0.000 0.294 51 T C 0.136 174.870 174.700 0.058 0.000 1.004 51 T CA -0.462 61.723 62.100 0.141 0.000 1.106 51 T CB 2.134 71.153 68.868 0.251 0.000 0.949 51 T HN 0.291 nan 8.240 nan 0.000 0.520 52 N N 0.757 119.485 118.700 0.048 0.000 2.509 52 N HA 0.676 5.416 4.740 -0.000 0.000 0.280 52 N C -1.275 174.279 175.510 0.073 0.000 1.306 52 N CA -0.654 52.263 53.050 -0.222 0.000 0.782 52 N CB 2.813 41.190 38.487 -0.183 0.000 1.493 52 N HN 0.905 nan 8.380 nan 0.000 0.498 53 W N -1.158 120.105 121.300 -0.061 0.000 2.874 53 W HA 0.706 5.366 4.660 -0.000 0.000 0.403 53 W C -0.458 176.004 176.519 -0.096 0.000 1.144 53 W CA -1.043 56.270 57.345 -0.054 0.000 1.175 53 W CB -0.044 29.401 29.460 -0.025 0.000 1.483 53 W HN 0.494 nan 8.180 nan 0.000 0.591 54 G N 0.614 109.553 108.800 0.231 0.000 2.642 54 G HA2 0.513 4.473 3.960 -0.000 0.000 0.291 54 G HA3 0.513 4.473 3.960 -0.000 0.000 0.291 54 G C -0.959 173.957 174.900 0.028 0.000 1.345 54 G CA -1.275 43.843 45.100 0.030 0.000 1.043 54 G HN 0.835 nan 8.290 nan 0.000 0.528 55 L N 0.085 121.243 121.223 -0.108 0.000 2.573 55 L HA 0.291 4.631 4.340 -0.000 0.000 0.290 55 L C 1.426 178.174 176.870 -0.204 0.000 1.247 55 L CA 2.075 56.789 54.840 -0.210 0.000 0.876 55 L CB 0.706 42.534 42.059 -0.385 0.000 1.123 55 L HN 1.036 nan 8.230 nan 0.000 0.505 56 G N 1.938 110.549 108.800 -0.315 0.000 2.901 56 G HA2 0.100 4.060 3.960 -0.000 0.000 0.194 56 G HA3 0.100 4.060 3.960 -0.000 0.000 0.194 56 G C 0.484 175.227 174.900 -0.261 0.000 1.020 56 G CA -0.033 44.799 45.100 -0.447 0.000 0.787 56 G HN 1.613 nan 8.290 nan 0.000 0.477 57 G N -1.062 107.695 108.800 -0.072 0.000 2.728 57 G HA2 0.135 4.095 3.960 -0.000 0.000 0.294 57 G HA3 0.135 4.095 3.960 -0.000 0.000 0.294 57 G C 0.748 175.656 174.900 0.013 0.000 1.342 57 G CA 0.539 45.641 45.100 0.003 0.000 0.866 57 G HN 1.133 nan 8.290 nan 0.000 0.534 58 T N -0.529 114.042 114.554 0.027 0.000 2.746 58 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 58 T C 2.499 177.140 174.700 -0.099 0.000 1.039 58 T CA 2.455 64.537 62.100 -0.030 0.000 1.142 58 T CB -0.553 68.337 68.868 0.036 0.000 0.866 58 T HN 1.035 nan 8.240 nan 0.000 0.444 59 C N 1.243 120.507 119.300 -0.061 0.000 2.413 59 C HA -0.077 4.383 4.460 -0.000 0.000 0.276 59 C C 2.785 177.702 174.990 -0.120 0.000 1.236 59 C CA 0.759 59.736 59.018 -0.068 0.000 1.735 59 C CB -1.219 26.503 27.740 -0.030 0.000 2.031 59 C HN 0.395 nan 8.230 nan 0.000 0.474 60 V N 1.712 121.560 119.914 -0.110 0.000 2.307 60 V HA -0.155 3.965 4.120 -0.000 0.000 0.245 60 V C 2.144 178.133 176.094 -0.175 0.000 1.045 60 V CA 2.390 64.631 62.300 -0.099 0.000 1.024 60 V CB -0.648 31.145 31.823 -0.051 0.000 0.651 60 V HN 0.604 nan 8.190 nan 0.000 0.449 61 N N -0.000 118.539 118.700 -0.267 0.000 2.414 61 N HA 0.044 4.784 4.740 -0.000 0.000 0.177 61 N C 0.866 176.064 175.510 -0.520 0.000 1.062 61 N CA 1.389 54.197 53.050 -0.404 0.000 0.890 61 N CB 1.424 39.545 38.487 -0.610 0.000 1.070 61 N HN 0.555 nan 8.380 nan 0.000 0.454 62 V N -3.365 116.248 119.914 -0.501 0.000 3.426 62 V HA 0.617 4.737 4.120 -0.000 0.000 0.461 62 V C 0.338 176.363 176.094 -0.115 0.000 1.576 62 V CA -0.410 61.736 62.300 -0.257 0.000 1.732 62 V CB 0.482 32.036 31.823 -0.448 0.000 1.199 62 V HN 0.115 nan 8.190 nan 0.000 0.603 63 G N -0.171 108.452 108.800 -0.295 0.000 3.366 63 G HA2 0.278 4.238 3.960 -0.000 0.000 0.179 63 G HA3 0.278 4.238 3.960 -0.000 0.000 0.179 63 G C 0.926 175.680 174.900 -0.244 0.000 1.143 63 G CA 0.637 45.645 45.100 -0.154 0.000 0.810 63 G HN 0.247 nan 8.290 nan 0.000 0.697 64 C N 0.799 120.034 119.300 -0.108 0.000 2.367 64 C HA -0.096 4.364 4.460 -0.000 0.000 0.276 64 C C 2.753 177.602 174.990 -0.234 0.000 1.195 64 C CA 0.607 59.557 59.018 -0.113 0.000 1.756 64 C CB -1.346 26.369 27.740 -0.042 0.000 2.046 64 C HN 0.428 nan 8.230 nan 0.000 0.453 65 I N 2.120 122.560 120.570 -0.217 0.000 2.053 65 I HA -0.158 4.012 4.170 -0.000 0.000 0.236 65 I C -0.006 175.916 176.117 -0.326 0.000 1.038 65 I CA 1.948 63.122 61.300 -0.210 0.000 1.304 65 I CB -2.755 35.168 38.000 -0.128 0.000 1.023 65 I HN 0.157 nan 8.210 nan 0.000 0.395 66 P HA -0.209 nan 4.420 nan 0.000 0.214 66 P C 1.840 178.729 177.300 -0.685 0.000 1.163 66 P CA 1.777 64.458 63.100 -0.698 0.000 0.889 66 P CB -0.216 30.741 31.700 -1.239 0.000 0.790 67 K N 0.409 120.350 120.400 -0.764 0.000 2.001 67 K HA -0.247 4.073 4.320 -0.000 0.000 0.214 67 K C 2.060 178.466 176.600 -0.322 0.000 1.050 67 K CA 2.101 58.165 56.287 -0.371 0.000 0.934 67 K CB -0.688 31.766 32.500 -0.078 0.000 0.718 67 K HN -0.164 nan 8.250 nan 0.000 0.443 68 K N 1.153 121.360 120.400 -0.322 0.000 2.009 68 K HA -0.080 4.240 4.320 -0.000 0.000 0.210 68 K C 2.329 178.778 176.600 -0.253 0.000 1.049 68 K CA 1.458 57.553 56.287 -0.321 0.000 0.929 68 K CB -0.561 31.697 32.500 -0.404 0.000 0.714 68 K HN 0.238 nan 8.250 nan 0.000 0.440 69 L N -0.046 121.003 121.223 -0.291 0.000 1.997 69 L HA -0.272 4.068 4.340 -0.000 0.000 0.216 69 L C 2.576 179.271 176.870 -0.290 0.000 1.074 69 L CA 1.848 56.526 54.840 -0.269 0.000 0.763 69 L CB -0.398 41.504 42.059 -0.263 0.000 0.890 69 L HN 0.339 nan 8.230 nan 0.000 0.434 70 M N -1.774 117.572 119.600 -0.423 0.000 2.254 70 M HA -0.195 4.285 4.480 -0.000 0.000 0.265 70 M C 2.316 178.364 176.300 -0.420 0.000 1.066 70 M CA 1.286 56.262 55.300 -0.540 0.000 1.123 70 M CB -0.866 31.115 32.600 -1.032 0.000 1.388 70 M HN 0.312 nan 8.290 nan 0.000 0.425 71 H N 0.947 119.740 119.070 -0.461 0.000 2.352 71 H HA -0.232 4.324 4.556 -0.000 0.000 0.299 71 H C 1.983 177.272 175.328 -0.065 0.000 1.097 71 H CA 2.409 58.383 56.048 -0.123 0.000 1.311 71 H CB -0.252 29.480 29.762 -0.051 0.000 1.377 71 H HN 0.304 nan 8.280 nan 0.000 0.504 72 Q N 0.268 119.921 119.800 -0.246 0.000 2.224 72 Q HA 0.019 4.359 4.340 -0.000 0.000 0.203 72 Q C 2.294 178.187 176.000 -0.178 0.000 0.970 72 Q CA 1.556 57.203 55.803 -0.260 0.000 0.865 72 Q CB -0.591 28.027 28.738 -0.199 0.000 0.922 72 Q HN 0.547 nan 8.270 nan 0.000 0.445 73 A N 0.201 122.929 122.820 -0.153 0.000 1.933 73 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 73 A C 2.270 179.802 177.584 -0.087 0.000 1.175 73 A CA 1.690 53.666 52.037 -0.102 0.000 0.628 73 A CB -1.064 17.883 19.000 -0.089 0.000 0.814 73 A HN 0.522 nan 8.150 nan 0.000 0.444 74 A N -0.208 122.577 122.820 -0.058 0.000 1.873 74 A HA 0.011 4.331 4.320 -0.000 0.000 0.215 74 A C 2.150 179.720 177.584 -0.024 0.000 1.186 74 A CA 1.345 53.383 52.037 0.002 0.000 0.616 74 A CB -0.615 18.472 19.000 0.144 0.000 0.823 74 A HN 0.452 nan 8.150 nan 0.000 0.442 75 L N -0.658 120.506 121.223 -0.099 0.000 2.042 75 L HA -0.194 4.145 4.340 -0.000 0.000 0.210 75 L C 2.411 179.252 176.870 -0.048 0.000 1.076 75 L CA 0.729 55.518 54.840 -0.085 0.000 0.749 75 L CB -0.518 41.433 42.059 -0.180 0.000 0.893 75 L HN 0.287 nan 8.230 nan 0.000 0.432 76 L N 0.066 121.250 121.223 -0.065 0.000 2.127 76 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 76 L C 2.555 179.410 176.870 -0.025 0.000 1.089 76 L CA 1.963 56.773 54.840 -0.049 0.000 0.757 76 L CB -1.959 40.066 42.059 -0.057 0.000 0.899 76 L HN 0.245 nan 8.230 nan 0.000 0.434 77 G N -1.282 107.508 108.800 -0.016 0.000 2.453 77 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.215 77 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.215 77 G C 1.467 176.375 174.900 0.013 0.000 1.201 77 G CA 0.789 45.891 45.100 0.004 0.000 0.784 77 G HN 0.361 nan 8.290 nan 0.000 0.545 78 Q N 0.919 120.728 119.800 0.015 0.000 2.197 78 Q HA 0.017 4.357 4.340 -0.000 0.000 0.207 78 Q C 2.578 178.592 176.000 0.023 0.000 0.984 78 Q CA 1.963 57.777 55.803 0.019 0.000 0.869 78 Q CB -0.710 28.038 28.738 0.016 0.000 0.906 78 Q HN 0.407 nan 8.270 nan 0.000 0.426 79 A N -0.082 122.746 122.820 0.014 0.000 1.898 79 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 79 A C 2.116 179.711 177.584 0.017 0.000 1.181 79 A CA 1.346 53.392 52.037 0.015 0.000 0.620 79 A CB -0.719 18.270 19.000 -0.018 0.000 0.819 79 A HN 0.446 nan 8.150 nan 0.000 0.442 80 L N -0.870 120.355 121.223 0.003 0.000 2.012 80 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 80 L C 2.624 179.524 176.870 0.051 0.000 1.073 80 L CA 2.025 56.870 54.840 0.008 0.000 0.748 80 L CB -0.527 41.537 42.059 0.009 0.000 0.891 80 L HN 0.320 nan 8.230 nan 0.000 0.431 81 K N -0.066 120.365 120.400 0.052 0.000 2.032 81 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 81 K C 1.812 178.475 176.600 0.105 0.000 1.048 81 K CA 1.727 58.054 56.287 0.067 0.000 0.927 81 K CB -0.200 32.328 32.500 0.046 0.000 0.712 81 K HN 0.213 nan 8.250 nan 0.000 0.441 82 D N 0.005 120.477 120.400 0.120 0.000 2.158 82 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 82 D C 1.945 178.440 176.300 0.325 0.000 0.995 82 D CA 1.636 55.762 54.000 0.209 0.000 0.846 82 D CB -0.396 40.538 40.800 0.222 0.000 0.941 82 D HN 0.231 nan 8.370 nan 0.000 0.456 83 S N 0.290 116.154 115.700 0.273 0.000 2.419 83 S HA -0.203 4.267 4.470 -0.000 0.000 0.235 83 S C 1.940 176.810 174.600 0.450 0.000 1.019 83 S CA 0.815 59.273 58.200 0.430 0.000 0.982 83 S CB -0.153 63.200 63.200 0.255 0.000 0.789 83 S HN 0.163 nan 8.310 nan 0.000 0.490 84 R N 1.385 122.048 120.500 0.273 0.000 2.080 84 R HA -0.062 4.278 4.340 -0.000 0.000 0.236 84 R C 1.679 178.059 176.300 0.132 0.000 1.137 84 R CA 2.083 58.297 56.100 0.190 0.000 0.943 84 R CB -0.509 29.863 30.300 0.119 0.000 0.846 84 R HN 0.590 nan 8.270 nan 0.000 0.431 85 N N -1.059 117.691 118.700 0.083 0.000 2.550 85 N HA -0.101 4.639 4.740 -0.000 0.000 0.186 85 N C 0.354 175.779 175.510 -0.141 0.000 1.110 85 N CA 0.586 53.603 53.050 -0.056 0.000 0.912 85 N CB 0.152 38.560 38.487 -0.131 0.000 0.968 85 N HN 0.261 nan 8.380 nan 0.000 0.448 86 Y N -0.685 119.652 120.300 0.062 0.000 2.466 86 Y HA 0.283 4.833 4.550 -0.000 0.000 0.272 86 Y C 1.698 177.508 175.900 -0.149 0.000 1.169 86 Y CA 0.133 58.241 58.100 0.012 0.000 1.285 86 Y CB 0.500 39.032 38.460 0.121 0.000 1.078 86 Y HN 0.102 nan 8.280 nan 0.000 0.523 87 G N -1.771 107.021 108.800 -0.013 0.000 2.184 87 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.206 87 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.206 87 G C -0.316 174.456 174.900 -0.214 0.000 0.995 87 G CA -0.665 44.333 45.100 -0.169 0.000 0.651 87 G HN 0.232 nan 8.290 nan 0.000 0.511 88 W N 2.516 123.866 121.300 0.083 0.000 2.316 88 W HA 0.580 5.240 4.660 -0.000 0.000 0.311 88 W C 0.781 177.329 176.519 0.048 0.000 1.217 88 W CA -0.734 56.646 57.345 0.058 0.000 1.199 88 W CB 0.767 30.262 29.460 0.058 0.000 1.202 88 W HN 0.069 nan 8.180 nan 0.000 0.528 89 K N 4.845 125.399 120.400 0.256 0.000 2.231 89 K HA 0.434 4.754 4.320 -0.000 0.000 0.275 89 K C -0.441 176.245 176.600 0.144 0.000 1.105 89 K CA -0.351 56.029 56.287 0.156 0.000 0.931 89 K CB 0.794 33.356 32.500 0.102 0.000 1.296 89 K HN 0.467 nan 8.250 nan 0.000 0.446 90 L N 1.113 122.413 121.223 0.128 0.000 2.335 90 L HA 0.322 4.662 4.340 -0.000 0.000 0.268 90 L C 0.382 177.292 176.870 0.068 0.000 1.016 90 L CA -1.123 53.773 54.840 0.093 0.000 0.805 90 L CB 1.541 43.651 42.059 0.085 0.000 1.311 90 L HN 0.543 nan 8.230 nan 0.000 0.456 91 E N 0.865 121.097 120.200 0.053 0.000 2.223 91 E HA -0.012 4.338 4.350 -0.000 0.000 0.282 91 E C 0.297 176.922 176.600 0.042 0.000 1.046 91 E CA 0.075 56.501 56.400 0.043 0.000 0.857 91 E CB 0.950 30.672 29.700 0.037 0.000 1.055 91 E HN 0.409 nan 8.360 nan 0.000 0.409 92 D N 2.259 122.682 120.400 0.038 0.000 2.640 92 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 92 D C -0.343 175.978 176.300 0.035 0.000 1.063 92 D CA 1.452 55.473 54.000 0.035 0.000 0.923 92 D CB 0.391 41.208 40.800 0.028 0.000 0.883 92 D HN 0.382 nan 8.370 nan 0.000 0.463 93 T N -0.445 114.130 114.554 0.035 0.000 3.237 93 T HA 0.419 4.769 4.350 -0.000 0.000 0.319 93 T C -0.485 174.240 174.700 0.041 0.000 1.037 93 T CA -0.794 61.328 62.100 0.038 0.000 1.048 93 T CB 2.651 71.540 68.868 0.035 0.000 1.081 93 T HN -0.255 nan 8.240 nan 0.000 0.455 94 V N 3.438 123.380 119.914 0.046 0.000 2.394 94 V HA 0.482 4.602 4.120 -0.000 0.000 0.282 94 V C 0.293 176.429 176.094 0.070 0.000 1.031 94 V CA -1.010 61.320 62.300 0.051 0.000 0.881 94 V CB 1.331 33.182 31.823 0.047 0.000 0.982 94 V HN 0.690 nan 8.190 nan 0.000 0.451 95 K N 1.966 122.409 120.400 0.072 0.000 2.144 95 K HA 0.426 4.746 4.320 -0.000 0.000 0.270 95 K C -0.706 175.976 176.600 0.137 0.000 1.005 95 K CA -0.706 55.639 56.287 0.096 0.000 0.932 95 K CB 1.417 33.959 32.500 0.070 0.000 1.021 95 K HN 0.817 nan 8.250 nan 0.000 0.462 96 H N 0.494 119.604 119.070 0.067 0.000 2.502 96 H HA 0.153 4.708 4.556 -0.000 0.000 0.338 96 H C -1.116 174.274 175.328 0.103 0.000 1.155 96 H CA -0.282 55.815 56.048 0.081 0.000 1.237 96 H CB 1.215 31.042 29.762 0.109 0.000 1.534 96 H HN 0.413 nan 8.280 nan 0.000 0.523 97 D N 5.123 125.067 120.400 -0.761 0.000 2.438 97 D HA -0.040 4.600 4.640 -0.000 0.000 0.257 97 D C 0.794 176.821 176.300 -0.456 0.000 1.148 97 D CA -0.430 53.328 54.000 -0.403 0.000 0.902 97 D CB 0.087 40.748 40.800 -0.232 0.000 1.062 97 D HN 0.677 nan 8.370 nan 0.000 0.518 98 W N 3.798 124.936 121.300 -0.270 0.000 2.290 98 W HA -0.314 4.346 4.660 -0.000 0.000 0.328 98 W C 1.259 177.759 176.519 -0.031 0.000 1.272 98 W CA 1.773 59.106 57.345 -0.019 0.000 1.262 98 W CB 0.017 29.530 29.460 0.089 0.000 1.151 98 W HN 0.455 nan 8.180 nan 0.000 0.473 99 E N 0.560 120.843 120.200 0.139 0.000 2.055 99 E HA -0.338 4.012 4.350 -0.000 0.000 0.209 99 E C 2.016 178.553 176.600 -0.105 0.000 1.036 99 E CA 2.963 59.392 56.400 0.048 0.000 0.849 99 E CB -0.663 29.092 29.700 0.091 0.000 0.767 99 E HN 0.063 nan 8.360 nan 0.000 0.461 100 K N 0.226 120.560 120.400 -0.110 0.000 2.044 100 K HA -0.185 4.135 4.320 -0.000 0.000 0.210 100 K C 2.151 178.653 176.600 -0.164 0.000 1.049 100 K CA 2.049 58.264 56.287 -0.119 0.000 0.927 100 K CB -0.479 31.951 32.500 -0.115 0.000 0.713 100 K HN 0.280 nan 8.250 nan 0.000 0.443 101 M N -0.012 119.444 119.600 -0.240 0.000 2.126 101 M HA -0.220 4.260 4.480 -0.000 0.000 0.259 101 M C 1.662 177.787 176.300 -0.290 0.000 1.073 101 M CA 2.620 57.779 55.300 -0.234 0.000 1.103 101 M CB -0.607 31.877 32.600 -0.193 0.000 1.284 101 M HN 0.267 nan 8.290 nan 0.000 0.420 102 T N 0.404 114.670 114.554 -0.481 0.000 2.721 102 T HA -0.279 4.071 4.350 -0.000 0.000 0.268 102 T C 1.522 176.119 174.700 -0.172 0.000 1.038 102 T CA 2.011 63.885 62.100 -0.377 0.000 1.145 102 T CB -0.630 67.974 68.868 -0.440 0.000 0.858 102 T HN 0.601 nan 8.240 nan 0.000 0.459 103 E N 0.953 121.071 120.200 -0.137 0.000 2.023 103 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 103 E C 2.350 178.917 176.600 -0.055 0.000 1.003 103 E CA 1.666 58.029 56.400 -0.063 0.000 0.809 103 E CB -0.255 29.417 29.700 -0.047 0.000 0.755 103 E HN 0.404 nan 8.360 nan 0.000 0.449 104 S N 0.107 115.762 115.700 -0.075 0.000 2.370 104 S HA -0.164 4.305 4.470 -0.000 0.000 0.226 104 S C 2.069 176.640 174.600 -0.048 0.000 1.033 104 S CA 1.300 59.465 58.200 -0.059 0.000 1.011 104 S CB -0.299 62.853 63.200 -0.081 0.000 0.852 104 S HN 0.217 nan 8.310 nan 0.000 0.457 105 V N 1.980 121.843 119.914 -0.085 0.000 2.233 105 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 105 V C 2.672 178.762 176.094 -0.007 0.000 1.050 105 V CA 1.643 63.900 62.300 -0.072 0.000 1.010 105 V CB -0.723 31.026 31.823 -0.122 0.000 0.637 105 V HN 0.430 nan 8.190 nan 0.000 0.444 106 Q N -0.126 119.667 119.800 -0.013 0.000 2.084 106 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 106 Q C 2.174 178.200 176.000 0.043 0.000 0.978 106 Q CA 1.717 57.531 55.803 0.019 0.000 0.844 106 Q CB -0.762 27.994 28.738 0.031 0.000 0.898 106 Q HN 0.753 nan 8.270 nan 0.000 0.426 107 N N -0.201 118.524 118.700 0.041 0.000 2.060 107 N HA -0.233 4.507 4.740 -0.000 0.000 0.195 107 N C 1.915 177.476 175.510 0.086 0.000 1.028 107 N CA 1.122 54.206 53.050 0.057 0.000 0.861 107 N CB -0.112 38.400 38.487 0.042 0.000 1.029 107 N HN 0.369 nan 8.380 nan 0.000 0.428 108 H N 0.785 119.842 119.070 -0.022 0.000 2.321 108 H HA -0.081 4.475 4.556 -0.000 0.000 0.300 108 H C 2.256 177.581 175.328 -0.004 0.000 1.087 108 H CA 1.364 57.397 56.048 -0.024 0.000 1.319 108 H CB 0.001 29.728 29.762 -0.058 0.000 1.379 108 H HN 0.234 nan 8.280 nan 0.000 0.501 109 I N 0.409 120.962 120.570 -0.030 0.000 2.151 109 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 109 I C 2.894 178.982 176.117 -0.048 0.000 1.080 109 I CA 1.333 62.583 61.300 -0.083 0.000 1.339 109 I CB -0.881 37.100 38.000 -0.033 0.000 1.039 109 I HN 0.367 nan 8.210 nan 0.000 0.409 110 G N 0.522 109.338 108.800 0.028 0.000 2.476 110 G HA2 -0.367 3.592 3.960 -0.000 0.000 0.218 110 G HA3 -0.367 3.592 3.960 -0.000 0.000 0.218 110 G C 1.801 176.790 174.900 0.148 0.000 1.164 110 G CA 1.318 46.489 45.100 0.117 0.000 0.768 110 G HN 0.500 nan 8.290 nan 0.000 0.560 111 S N 0.359 116.084 115.700 0.041 0.000 2.370 111 S HA -0.059 4.411 4.470 -0.000 0.000 0.226 111 S C 2.427 177.008 174.600 -0.032 0.000 1.033 111 S CA 1.420 59.632 58.200 0.020 0.000 1.011 111 S CB -0.338 62.819 63.200 -0.072 0.000 0.852 111 S HN 0.331 nan 8.310 nan 0.000 0.457 112 L N 1.341 122.471 121.223 -0.155 0.000 2.056 112 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 112 L C 2.796 179.698 176.870 0.054 0.000 1.078 112 L CA 1.217 55.982 54.840 -0.124 0.000 0.749 112 L CB -0.922 41.069 42.059 -0.114 0.000 0.901 112 L HN 0.347 nan 8.230 nan 0.000 0.433 113 N N -0.099 118.630 118.700 0.049 0.000 2.021 113 N HA -0.255 4.485 4.740 -0.000 0.000 0.198 113 N C 1.610 177.069 175.510 -0.085 0.000 1.041 113 N CA 1.951 54.990 53.050 -0.018 0.000 0.862 113 N CB -0.550 37.865 38.487 -0.120 0.000 1.048 113 N HN 0.374 nan 8.380 nan 0.000 0.427 114 W N 1.221 122.531 121.300 0.016 0.000 2.358 114 W HA 0.003 4.663 4.660 -0.000 0.000 0.303 114 W C 2.663 179.169 176.519 -0.022 0.000 1.208 114 W CA 1.261 58.609 57.345 0.006 0.000 1.274 114 W CB -0.918 28.538 29.460 -0.006 0.000 1.138 114 W HN 0.153 nan 8.180 nan 0.000 0.515 115 G N -0.431 108.447 108.800 0.131 0.000 2.476 115 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.218 115 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.218 115 G C 1.147 175.992 174.900 -0.091 0.000 1.164 115 G CA 1.389 46.465 45.100 -0.042 0.000 0.768 115 G HN 0.231 nan 8.290 nan 0.000 0.560 116 Y N 0.407 120.671 120.300 -0.059 0.000 2.145 116 Y HA -0.077 4.473 4.550 -0.000 0.000 0.286 116 Y C 2.960 178.780 175.900 -0.132 0.000 1.145 116 Y CA 1.625 59.658 58.100 -0.113 0.000 1.148 116 Y CB -0.445 37.910 38.460 -0.174 0.000 0.981 116 Y HN 0.130 nan 8.280 nan 0.000 0.507 117 R N 0.024 120.531 120.500 0.012 0.000 2.096 117 R HA -0.181 4.159 4.340 -0.000 0.000 0.240 117 R C 2.052 178.400 176.300 0.079 0.000 1.139 117 R CA 2.082 58.160 56.100 -0.037 0.000 0.952 117 R CB -0.674 29.582 30.300 -0.073 0.000 0.854 117 R HN 0.196 nan 8.270 nan 0.000 0.436 118 V N 1.012 121.002 119.914 0.128 0.000 2.343 118 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 118 V C 2.506 178.637 176.094 0.063 0.000 1.051 118 V CA 1.930 64.300 62.300 0.117 0.000 1.036 118 V CB -0.888 30.998 31.823 0.104 0.000 0.654 118 V HN 0.602 nan 8.190 nan 0.000 0.451 119 A N -0.083 122.756 122.820 0.030 0.000 1.865 119 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 119 A C 2.228 179.832 177.584 0.034 0.000 1.191 119 A CA 2.148 54.193 52.037 0.014 0.000 0.623 119 A CB -0.674 18.321 19.000 -0.009 0.000 0.826 119 A HN 0.496 nan 8.150 nan 0.000 0.444 120 L N -1.042 120.205 121.223 0.041 0.000 2.042 120 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 120 L C 2.822 179.731 176.870 0.064 0.000 1.076 120 L CA 1.868 56.734 54.840 0.043 0.000 0.749 120 L CB -0.474 41.596 42.059 0.018 0.000 0.893 120 L HN 0.482 nan 8.230 nan 0.000 0.432 121 R N 0.111 120.659 120.500 0.080 0.000 2.073 121 R HA -0.176 4.164 4.340 -0.000 0.000 0.234 121 R C 2.140 178.478 176.300 0.063 0.000 1.134 121 R CA 1.531 57.684 56.100 0.088 0.000 0.952 121 R CB -0.084 30.278 30.300 0.104 0.000 0.850 121 R HN 0.365 nan 8.270 nan 0.000 0.433 122 E N 0.466 120.695 120.200 0.049 0.000 2.150 122 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 122 E C 1.517 178.132 176.600 0.026 0.000 0.985 122 E CA 0.830 57.250 56.400 0.032 0.000 0.814 122 E CB 0.072 29.784 29.700 0.019 0.000 0.752 122 E HN 0.252 nan 8.360 nan 0.000 0.466 123 K N 0.751 121.168 120.400 0.027 0.000 2.487 123 K HA 0.039 4.359 4.320 -0.000 0.000 0.192 123 K C 0.210 176.830 176.600 0.033 0.000 1.027 123 K CA 0.023 56.323 56.287 0.021 0.000 1.054 123 K CB 0.182 32.693 32.500 0.020 0.000 0.824 123 K HN 0.088 nan 8.250 nan 0.000 0.510 124 K N 0.305 120.733 120.400 0.046 0.000 3.161 124 K HA -0.114 4.205 4.320 -0.000 0.000 0.270 124 K C -0.828 175.817 176.600 0.075 0.000 1.115 124 K CA 0.165 56.488 56.287 0.059 0.000 0.789 124 K CB -1.770 30.758 32.500 0.047 0.000 1.256 124 K HN -0.084 nan 8.250 nan 0.000 0.492 125 V N 1.384 121.343 119.914 0.076 0.000 2.435 125 V HA 0.231 4.351 4.120 -0.000 0.000 0.290 125 V C 0.649 176.802 176.094 0.097 0.000 1.030 125 V CA -0.880 61.467 62.300 0.077 0.000 0.881 125 V CB 1.902 33.756 31.823 0.052 0.000 0.983 125 V HN 0.071 nan 8.190 nan 0.000 0.445 126 V N 5.907 125.879 119.914 0.097 0.000 2.521 126 V HA 0.118 4.238 4.120 -0.000 0.000 0.286 126 V C -0.473 175.669 176.094 0.080 0.000 1.034 126 V CA -0.009 62.352 62.300 0.100 0.000 1.045 126 V CB 0.516 32.395 31.823 0.093 0.000 0.974 126 V HN 0.744 nan 8.190 nan 0.000 0.480 127 Y N 5.117 125.402 120.300 -0.025 0.000 2.341 127 Y HA 0.704 5.254 4.550 -0.000 0.000 0.338 127 Y C -0.405 175.469 175.900 -0.043 0.000 0.965 127 Y CA -1.634 56.434 58.100 -0.054 0.000 1.108 127 Y CB 1.727 40.166 38.460 -0.034 0.000 1.180 127 Y HN 0.700 nan 8.280 nan 0.000 0.458 128 E N 4.221 124.148 120.200 -0.454 0.000 2.246 128 E HA 0.266 4.616 4.350 -0.000 0.000 0.266 128 E C -1.433 174.828 176.600 -0.565 0.000 0.880 128 E CA -0.447 55.642 56.400 -0.517 0.000 0.762 128 E CB 0.902 30.452 29.700 -0.250 0.000 1.180 128 E HN 0.751 nan 8.360 nan 0.000 0.416 129 N N 3.079 121.424 118.700 -0.592 0.000 2.739 129 N HA 0.397 5.137 4.740 -0.000 0.000 0.266 129 N C -1.344 174.217 175.510 0.084 0.000 1.168 129 N CA 0.055 52.991 53.050 -0.191 0.000 1.055 129 N CB 0.081 38.488 38.487 -0.134 0.000 1.393 129 N HN 0.436 nan 8.380 nan 0.000 0.514 130 A N 2.590 125.464 122.820 0.090 0.000 2.606 130 A HA 0.258 4.578 4.320 -0.000 0.000 0.293 130 A C -1.861 175.677 177.584 -0.076 0.000 1.082 130 A CA -0.609 51.407 52.037 -0.035 0.000 0.685 130 A CB 0.701 19.650 19.000 -0.085 0.000 1.284 130 A HN 0.574 nan 8.150 nan 0.000 0.408 131 Y N 1.169 121.227 120.300 -0.404 0.000 2.336 131 Y HA 0.476 5.026 4.550 -0.000 0.000 0.335 131 Y C 0.874 176.658 175.900 -0.192 0.000 1.046 131 Y CA 0.708 58.636 58.100 -0.287 0.000 1.198 131 Y CB 0.953 39.155 38.460 -0.431 0.000 1.182 131 Y HN 0.834 nan 8.280 nan 0.000 0.502 132 G N 5.848 114.377 108.800 -0.452 0.000 2.377 132 G HA2 0.429 4.389 3.960 -0.000 0.000 0.299 132 G HA3 0.429 4.389 3.960 -0.000 0.000 0.299 132 G C -1.435 173.325 174.900 -0.234 0.000 1.150 132 G CA -0.703 44.209 45.100 -0.313 0.000 0.847 132 G HN 0.569 nan 8.290 nan 0.000 0.501 133 K N 2.266 122.560 120.400 -0.175 0.000 2.619 133 K HA 0.238 4.558 4.320 -0.000 0.000 0.251 133 K C -1.255 175.267 176.600 -0.131 0.000 0.987 133 K CA -0.689 55.544 56.287 -0.090 0.000 0.844 133 K CB 1.277 33.821 32.500 0.073 0.000 1.237 133 K HN 0.287 nan 8.250 nan 0.000 0.447 134 F N 4.132 124.026 119.950 -0.093 0.000 2.553 134 F HA 0.080 4.607 4.527 -0.000 0.000 0.356 134 F C 1.754 177.531 175.800 -0.039 0.000 1.142 134 F CA 0.227 58.153 58.000 -0.123 0.000 1.322 134 F CB 0.512 39.403 39.000 -0.181 0.000 1.126 134 F HN 0.506 nan 8.300 nan 0.000 0.599 135 I N -0.863 119.829 120.570 0.202 0.000 4.403 135 I HA 0.656 4.826 4.170 -0.000 0.000 0.331 135 I C 0.530 176.722 176.117 0.125 0.000 1.327 135 I CA 0.099 61.479 61.300 0.134 0.000 1.175 135 I CB 0.464 38.529 38.000 0.107 0.000 1.165 135 I HN 0.553 nan 8.210 nan 0.000 0.413 136 G N 1.078 109.971 108.800 0.155 0.000 2.325 136 G HA2 0.311 4.271 3.960 -0.000 0.000 0.297 136 G HA3 0.311 4.271 3.960 -0.000 0.000 0.297 136 G C -3.308 171.702 174.900 0.184 0.000 1.448 136 G CA -0.887 44.292 45.100 0.133 0.000 0.838 136 G HN -0.223 nan 8.290 nan 0.000 0.579 137 P HA 0.152 nan 4.420 nan 0.000 0.261 137 P C 0.267 177.811 177.300 0.406 0.000 1.165 137 P CA 1.145 64.406 63.100 0.268 0.000 0.759 137 P CB -0.037 31.815 31.700 0.253 0.000 0.772 138 H N -0.736 118.578 119.070 0.406 0.000 3.580 138 H HA -0.221 4.335 4.556 -0.000 0.000 0.224 138 H C 0.006 175.672 175.328 0.564 0.000 1.047 138 H CA 1.626 57.962 56.048 0.480 0.000 1.204 138 H CB -1.255 28.604 29.762 0.162 0.000 1.193 138 H HN 0.457 nan 8.280 nan 0.000 0.319 139 K N 0.404 121.122 120.400 0.530 0.000 2.324 139 K HA 0.664 4.984 4.320 -0.000 0.000 0.253 139 K C -0.658 176.152 176.600 0.350 0.000 0.932 139 K CA -0.737 55.813 56.287 0.439 0.000 0.799 139 K CB 2.818 35.503 32.500 0.308 0.000 1.154 139 K HN 0.104 nan 8.250 nan 0.000 0.425 140 I N 3.013 123.772 120.570 0.315 0.000 2.686 140 I HA 0.372 4.542 4.170 -0.000 0.000 0.295 140 I C -1.409 174.805 176.117 0.162 0.000 1.114 140 I CA -1.117 60.245 61.300 0.102 0.000 1.038 140 I CB 2.015 39.909 38.000 -0.177 0.000 1.238 140 I HN 0.713 nan 8.210 nan 0.000 0.420 141 M N 7.782 127.429 119.600 0.077 0.000 2.129 141 M HA 0.680 5.160 4.480 -0.000 0.000 0.348 141 M C -1.240 175.102 176.300 0.070 0.000 1.116 141 M CA -0.240 55.124 55.300 0.106 0.000 1.022 141 M CB 1.345 33.987 32.600 0.069 0.000 1.599 141 M HN 0.665 nan 8.290 nan 0.000 0.449 142 A N 4.007 126.905 122.820 0.130 0.000 2.249 142 A HA 0.572 4.892 4.320 -0.000 0.000 0.314 142 A C -0.396 177.202 177.584 0.023 0.000 1.290 142 A CA -0.538 51.527 52.037 0.047 0.000 0.893 142 A CB 0.449 19.476 19.000 0.045 0.000 1.165 142 A HN 0.802 nan 8.150 nan 0.000 0.530 143 T N 3.796 118.328 114.554 -0.036 0.000 2.728 143 T HA 0.127 4.477 4.350 -0.000 0.000 0.296 143 T C 0.823 175.412 174.700 -0.185 0.000 0.940 143 T CA -0.333 61.711 62.100 -0.093 0.000 1.013 143 T CB 0.009 68.801 68.868 -0.127 0.000 0.912 143 T HN 0.798 nan 8.240 nan 0.000 0.484 144 N N 2.980 121.614 118.700 -0.111 0.000 2.178 144 N HA -0.065 4.675 4.740 -0.000 0.000 0.217 144 N C 1.325 176.749 175.510 -0.143 0.000 1.342 144 N CA 0.058 53.051 53.050 -0.093 0.000 0.884 144 N CB 0.362 38.832 38.487 -0.029 0.000 1.105 144 N HN 0.616 nan 8.380 nan 0.000 0.444 145 N N 0.694 119.395 118.700 0.001 0.000 2.354 145 N HA -0.050 4.690 4.740 -0.000 0.000 0.179 145 N C 0.386 175.924 175.510 0.048 0.000 1.021 145 N CA 0.873 53.993 53.050 0.116 0.000 0.887 145 N CB 0.134 38.782 38.487 0.269 0.000 0.974 145 N HN 0.477 nan 8.380 nan 0.000 0.437 146 K N -0.271 120.140 120.400 0.018 0.000 2.404 146 K HA 0.116 4.436 4.320 -0.000 0.000 0.194 146 K C 0.628 177.219 176.600 -0.015 0.000 1.023 146 K CA 0.514 56.806 56.287 0.008 0.000 1.094 146 K CB 0.504 33.012 32.500 0.013 0.000 0.841 146 K HN 0.351 nan 8.250 nan 0.000 0.523 147 G N 1.647 110.422 108.800 -0.042 0.000 2.176 147 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.232 147 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.232 147 G C -0.110 174.765 174.900 -0.041 0.000 0.986 147 G CA -0.367 44.701 45.100 -0.054 0.000 0.643 147 G HN 0.049 nan 8.290 nan 0.000 0.522 148 K N 1.743 122.127 120.400 -0.028 0.000 2.412 148 K HA 0.400 4.720 4.320 -0.000 0.000 0.281 148 K C 0.627 177.220 176.600 -0.012 0.000 1.027 148 K CA 0.228 56.507 56.287 -0.014 0.000 0.989 148 K CB 0.717 33.216 32.500 -0.002 0.000 0.935 148 K HN 0.655 nan 8.250 nan 0.000 0.475 149 E N 1.722 121.920 120.200 -0.003 0.000 2.222 149 E HA 0.399 4.749 4.350 -0.000 0.000 0.272 149 E C -0.554 176.062 176.600 0.026 0.000 0.982 149 E CA -0.811 55.595 56.400 0.011 0.000 0.842 149 E CB 1.892 31.595 29.700 0.005 0.000 1.144 149 E HN 0.253 nan 8.360 nan 0.000 0.397 150 K N 1.020 121.458 120.400 0.064 0.000 2.525 150 K HA 0.390 4.710 4.320 -0.000 0.000 0.254 150 K C -1.821 174.823 176.600 0.074 0.000 0.934 150 K CA -0.561 55.749 56.287 0.038 0.000 0.802 150 K CB 1.768 34.324 32.500 0.092 0.000 1.295 150 K HN 0.287 nan 8.250 nan 0.000 0.433 151 V N 4.099 123.974 119.914 -0.065 0.000 2.547 151 V HA 0.556 4.676 4.120 -0.000 0.000 0.299 151 V C -1.122 174.924 176.094 -0.080 0.000 1.040 151 V CA -0.529 61.799 62.300 0.047 0.000 0.913 151 V CB 1.132 32.987 31.823 0.054 0.000 0.992 151 V HN 0.677 nan 8.190 nan 0.000 0.449 152 Y N 0.904 121.313 120.300 0.182 0.000 2.545 152 Y HA 0.668 5.218 4.550 -0.000 0.000 0.348 152 Y C 0.295 176.397 175.900 0.336 0.000 1.002 152 Y CA -0.842 57.415 58.100 0.262 0.000 1.039 152 Y CB 2.393 41.030 38.460 0.296 0.000 1.271 152 Y HN 0.648 nan 8.280 nan 0.000 0.467 153 S N 0.727 116.734 115.700 0.512 0.000 2.536 153 S HA 0.999 5.469 4.470 -0.000 0.000 0.298 153 S C -0.920 173.937 174.600 0.429 0.000 1.083 153 S CA -0.704 57.795 58.200 0.498 0.000 0.995 153 S CB 2.104 65.579 63.200 0.458 0.000 1.058 153 S HN 1.041 nan 8.310 nan 0.000 0.488 154 A N 0.858 123.799 122.820 0.203 0.000 2.594 154 A HA 0.660 4.980 4.320 -0.000 0.000 0.295 154 A C 0.347 177.605 177.584 -0.544 0.000 1.071 154 A CA -0.635 51.319 52.037 -0.139 0.000 0.685 154 A CB 1.251 19.956 19.000 -0.490 0.000 1.285 154 A HN 0.918 nan 8.150 nan 0.000 0.405 155 E N 0.139 120.061 120.200 -0.464 0.000 2.107 155 E HA -0.017 4.333 4.350 -0.000 0.000 0.191 155 E C 0.395 176.978 176.600 -0.028 0.000 0.982 155 E CA 0.916 57.059 56.400 -0.428 0.000 0.809 155 E CB 0.161 29.839 29.700 -0.036 0.000 0.756 155 E HN 0.563 nan 8.360 nan 0.000 0.459 156 R N -1.196 119.272 120.500 -0.053 0.000 2.808 156 R HA 0.444 4.784 4.340 -0.000 0.000 0.272 156 R C -1.523 174.669 176.300 -0.180 0.000 0.995 156 R CA -0.696 55.461 56.100 0.095 0.000 0.917 156 R CB 1.481 31.914 30.300 0.222 0.000 1.217 156 R HN -0.118 nan 8.270 nan 0.000 0.471 157 F N 1.070 121.136 119.950 0.194 0.000 2.576 157 F HA 0.511 5.038 4.527 -0.000 0.000 0.313 157 F C -0.917 174.981 175.800 0.163 0.000 1.078 157 F CA -0.931 57.166 58.000 0.162 0.000 0.921 157 F CB 1.913 41.051 39.000 0.230 0.000 1.232 157 F HN 0.195 nan 8.300 nan 0.000 0.459 158 L N 4.443 125.869 121.223 0.338 0.000 2.372 158 L HA 0.619 4.959 4.340 -0.000 0.000 0.273 158 L C -1.179 175.792 176.870 0.167 0.000 0.989 158 L CA -0.290 54.686 54.840 0.227 0.000 0.841 158 L CB 0.892 43.032 42.059 0.135 0.000 1.225 158 L HN 0.472 nan 8.230 nan 0.000 0.414 159 I N 5.699 126.356 120.570 0.145 0.000 2.363 159 I HA 0.450 4.620 4.170 -0.000 0.000 0.292 159 I C 0.587 176.736 176.117 0.053 0.000 1.075 159 I CA 0.119 61.469 61.300 0.084 0.000 1.333 159 I CB 1.126 39.176 38.000 0.084 0.000 1.415 159 I HN 0.845 nan 8.210 nan 0.000 0.502 160 A N 3.851 126.683 122.820 0.020 0.000 3.176 160 A HA 0.253 4.573 4.320 -0.000 0.000 0.265 160 A C 0.882 178.464 177.584 -0.004 0.000 0.936 160 A CA -0.318 51.728 52.037 0.016 0.000 1.033 160 A CB -0.235 18.772 19.000 0.011 0.000 1.158 160 A HN 0.739 nan 8.150 nan 0.000 0.485 161 T N -2.924 111.627 114.554 -0.005 0.000 3.107 161 T HA 0.437 4.786 4.350 -0.000 0.000 0.249 161 T C 1.265 175.981 174.700 0.027 0.000 1.096 161 T CA 1.077 63.169 62.100 -0.013 0.000 1.012 161 T CB -0.372 68.471 68.868 -0.042 0.000 0.977 161 T HN 2.007 nan 8.240 nan 0.000 0.527 162 G N 1.864 110.687 108.800 0.039 0.000 2.622 162 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.272 162 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.272 162 G C -0.524 174.420 174.900 0.073 0.000 1.308 162 G CA 0.137 45.273 45.100 0.060 0.000 0.919 162 G HN 0.868 nan 8.290 nan 0.000 0.565 163 E N -0.648 119.606 120.200 0.089 0.000 2.404 163 E HA 0.843 5.193 4.350 -0.000 0.000 0.264 163 E C -0.335 176.337 176.600 0.120 0.000 0.946 163 E CA -1.314 55.145 56.400 0.097 0.000 0.806 163 E CB 1.612 31.365 29.700 0.088 0.000 1.334 163 E HN 0.508 nan 8.360 nan 0.000 0.429 164 R N -0.040 120.534 120.500 0.124 0.000 2.867 164 R HA 0.504 4.843 4.340 -0.000 0.000 0.268 164 R C -2.675 173.699 176.300 0.124 0.000 1.014 164 R CA -2.466 53.723 56.100 0.147 0.000 0.946 164 R CB 0.811 31.215 30.300 0.174 0.000 1.208 164 R HN 0.387 nan 8.270 nan 0.000 0.477 165 P HA 0.108 nan 4.420 nan 0.000 0.270 165 P C -0.519 176.845 177.300 0.107 0.000 1.223 165 P CA -0.103 63.035 63.100 0.063 0.000 0.785 165 P CB 0.631 32.336 31.700 0.008 0.000 0.923 166 R N 1.551 122.081 120.500 0.049 0.000 2.711 166 R HA 0.439 4.779 4.340 -0.000 0.000 0.284 166 R C -1.004 175.340 176.300 0.074 0.000 0.968 166 R CA -0.544 55.626 56.100 0.117 0.000 0.924 166 R CB 0.642 30.985 30.300 0.072 0.000 1.162 166 R HN 0.345 nan 8.270 nan 0.000 0.465 167 Y N 1.405 121.711 120.300 0.011 0.000 2.545 167 Y HA 0.355 4.905 4.550 -0.000 0.000 0.324 167 Y C 0.029 175.932 175.900 0.005 0.000 1.220 167 Y CA -0.763 57.338 58.100 0.003 0.000 1.290 167 Y CB 0.858 39.319 38.460 0.000 0.000 1.355 167 Y HN 0.354 nan 8.280 nan 0.000 0.516 168 L N 0.665 121.981 121.223 0.156 0.000 2.375 168 L HA 0.316 4.656 4.340 -0.000 0.000 0.271 168 L C 1.584 178.515 176.870 0.102 0.000 1.107 168 L CA 0.009 54.905 54.840 0.095 0.000 0.806 168 L CB 0.677 42.773 42.059 0.062 0.000 1.146 168 L HN 0.919 nan 8.230 nan 0.000 0.447 169 G N 3.033 111.875 108.800 0.070 0.000 2.527 169 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.219 169 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.219 169 G C 0.767 175.697 174.900 0.050 0.000 1.117 169 G CA 0.204 45.337 45.100 0.054 0.000 0.759 169 G HN 0.670 nan 8.290 nan 0.000 0.556 170 I N -1.146 119.459 120.570 0.059 0.000 2.813 170 I HA 0.315 4.485 4.170 -0.000 0.000 0.287 170 I C -2.442 173.710 176.117 0.059 0.000 1.196 170 I CA -1.975 59.358 61.300 0.055 0.000 1.421 170 I CB 0.578 38.612 38.000 0.056 0.000 1.365 170 I HN -0.205 nan 8.210 nan 0.000 0.591 171 P HA 0.181 nan 4.420 nan 0.000 0.271 171 P C 0.701 178.055 177.300 0.090 0.000 1.216 171 P CA 0.766 63.901 63.100 0.058 0.000 0.776 171 P CB 1.045 32.778 31.700 0.055 0.000 0.881 172 G N 2.907 111.762 108.800 0.092 0.000 2.241 172 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.244 172 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.244 172 G C 1.016 175.998 174.900 0.136 0.000 0.998 172 G CA 0.595 45.798 45.100 0.172 0.000 0.621 172 G HN 0.590 nan 8.290 nan 0.000 0.519 173 D N 1.187 121.658 120.400 0.120 0.000 2.088 173 D HA -0.128 4.512 4.640 -0.000 0.000 0.191 173 D C 2.004 178.449 176.300 0.242 0.000 0.992 173 D CA 1.721 55.834 54.000 0.188 0.000 0.831 173 D CB -0.662 40.274 40.800 0.227 0.000 0.973 173 D HN 0.455 nan 8.370 nan 0.000 0.447 174 K N 0.432 120.869 120.400 0.061 0.000 2.097 174 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 174 K C 2.147 178.657 176.600 -0.150 0.000 1.049 174 K CA 1.437 57.601 56.287 -0.205 0.000 0.933 174 K CB -0.066 32.157 32.500 -0.461 0.000 0.717 174 K HN 0.481 nan 8.250 nan 0.000 0.442 175 E N -0.156 119.879 120.200 -0.274 0.000 2.152 175 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 175 E C 0.993 177.151 176.600 -0.737 0.000 0.983 175 E CA 1.321 57.356 56.400 -0.608 0.000 0.818 175 E CB -0.186 28.924 29.700 -0.983 0.000 0.758 175 E HN 0.501 nan 8.360 nan 0.000 0.467 176 Y N -0.232 120.109 120.300 0.068 0.000 2.563 176 Y HA 0.293 4.842 4.550 -0.000 0.000 0.250 176 Y C 0.917 176.857 175.900 0.067 0.000 1.126 176 Y CA -0.933 57.203 58.100 0.060 0.000 1.231 176 Y CB 0.252 38.735 38.460 0.038 0.000 1.288 176 Y HN -0.049 nan 8.280 nan 0.000 0.537 177 C N 1.824 121.235 119.300 0.185 0.000 2.325 177 C HA 0.755 5.215 4.460 -0.000 0.000 0.370 177 C C 0.598 175.646 174.990 0.098 0.000 1.217 177 C CA -0.978 58.108 59.018 0.113 0.000 2.254 177 C CB 0.825 28.602 27.740 0.063 0.000 2.282 177 C HN 0.419 nan 8.230 nan 0.000 0.564 178 I N -0.171 120.400 120.570 0.001 0.000 3.206 178 I HA 0.872 5.042 4.170 -0.000 0.000 0.313 178 I C -0.250 175.787 176.117 -0.134 0.000 1.103 178 I CA -0.218 61.073 61.300 -0.015 0.000 0.985 178 I CB 2.141 40.126 38.000 -0.026 0.000 1.240 178 I HN 0.701 nan 8.210 nan 0.000 0.464 179 S N 0.246 115.870 115.700 -0.127 0.000 2.811 179 S HA 0.397 4.867 4.470 -0.000 0.000 0.311 179 S C 0.735 175.229 174.600 -0.177 0.000 1.152 179 S CA -0.039 58.048 58.200 -0.188 0.000 0.864 179 S CB 1.156 64.260 63.200 -0.160 0.000 1.226 179 S HN 0.839 nan 8.310 nan 0.000 0.541 180 S N 0.709 116.301 115.700 -0.179 0.000 2.383 180 S HA -0.199 4.271 4.470 -0.000 0.000 0.229 180 S C 1.043 175.517 174.600 -0.209 0.000 1.030 180 S CA 1.755 59.798 58.200 -0.261 0.000 1.002 180 S CB -1.103 62.059 63.200 -0.064 0.000 0.829 180 S HN 0.717 nan 8.310 nan 0.000 0.467 181 D N 2.239 122.612 120.400 -0.045 0.000 2.149 181 D HA -0.118 4.522 4.640 -0.000 0.000 0.194 181 D C 1.437 177.753 176.300 0.026 0.000 1.001 181 D CA 1.649 55.660 54.000 0.018 0.000 0.849 181 D CB -0.436 40.521 40.800 0.262 0.000 0.939 181 D HN 0.487 nan 8.370 nan 0.000 0.449 182 D N -0.696 119.706 120.400 0.003 0.000 2.277 182 D HA -0.014 4.626 4.640 -0.000 0.000 0.209 182 D C 2.123 178.380 176.300 -0.072 0.000 0.970 182 D CA -0.134 53.879 54.000 0.023 0.000 0.874 182 D CB -0.313 40.513 40.800 0.044 0.000 0.982 182 D HN 0.068 nan 8.370 nan 0.000 0.504 183 L N 0.738 121.819 121.223 -0.236 0.000 1.997 183 L HA -0.208 4.132 4.340 -0.000 0.000 0.216 183 L C 1.607 178.396 176.870 -0.135 0.000 1.074 183 L CA 1.692 56.362 54.840 -0.283 0.000 0.763 183 L CB -0.887 40.840 42.059 -0.552 0.000 0.890 183 L HN -0.067 nan 8.230 nan 0.000 0.434 184 F N -1.166 118.846 119.950 0.103 0.000 2.722 184 F HA 0.016 4.542 4.527 -0.000 0.000 0.298 184 F C 1.790 177.613 175.800 0.038 0.000 1.175 184 F CA 0.675 58.710 58.000 0.058 0.000 1.462 184 F CB -0.881 38.093 39.000 -0.044 0.000 1.111 184 F HN 0.087 nan 8.300 nan 0.000 0.592 185 S N -0.818 114.990 115.700 0.181 0.000 2.819 185 S HA 0.228 4.698 4.470 -0.000 0.000 0.249 185 S C 0.345 175.031 174.600 0.144 0.000 1.030 185 S CA -0.453 57.837 58.200 0.150 0.000 1.052 185 S CB 0.128 63.416 63.200 0.147 0.000 1.017 185 S HN 0.077 nan 8.310 nan 0.000 0.576 186 L N 3.455 124.778 121.223 0.167 0.000 2.667 186 L HA 0.024 4.364 4.340 -0.000 0.000 0.278 186 L C -1.776 175.154 176.870 0.101 0.000 1.217 186 L CA -0.205 54.625 54.840 -0.017 0.000 0.935 186 L CB 0.728 42.705 42.059 -0.136 0.000 1.193 186 L HN 0.061 nan 8.230 nan 0.000 0.493 187 P HA -0.025 nan 4.420 nan 0.000 0.242 187 P C -1.225 176.207 177.300 0.220 0.000 1.197 187 P CA 0.865 64.049 63.100 0.140 0.000 0.765 187 P CB 0.104 31.939 31.700 0.225 0.000 0.936 188 Y N -4.753 115.646 120.300 0.164 0.000 2.625 188 Y HA 0.515 5.065 4.550 -0.000 0.000 0.338 188 Y C -0.501 175.166 175.900 -0.389 0.000 1.123 188 Y CA -2.221 55.892 58.100 0.022 0.000 1.046 188 Y CB 0.095 38.543 38.460 -0.021 0.000 1.299 188 Y HN -0.348 nan 8.280 nan 0.000 0.464 189 C N 3.637 122.795 119.300 -0.237 0.000 2.632 189 C HA 0.330 4.790 4.460 -0.000 0.000 0.415 189 C C -1.140 173.589 174.990 -0.435 0.000 1.332 189 C CA -1.415 57.194 59.018 -0.682 0.000 1.874 189 C CB 0.141 27.818 27.740 -0.106 0.000 2.596 189 C HN 0.808 nan 8.230 nan 0.000 0.590 190 P HA 0.116 nan 4.420 nan 0.000 0.219 190 P C 0.989 178.210 177.300 -0.131 0.000 1.146 190 P CA 2.195 65.090 63.100 -0.342 0.000 0.808 190 P CB -0.173 31.257 31.700 -0.450 0.000 0.779 191 G N -0.384 108.348 108.800 -0.115 0.000 2.645 191 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.239 191 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.239 191 G C -0.423 174.466 174.900 -0.018 0.000 1.331 191 G CA -0.230 44.847 45.100 -0.039 0.000 0.890 191 G HN 0.488 nan 8.290 nan 0.000 0.572 192 K N 0.786 121.193 120.400 0.011 0.000 2.472 192 K HA 0.427 4.747 4.320 -0.000 0.000 0.280 192 K C 0.594 177.261 176.600 0.110 0.000 1.028 192 K CA 1.056 57.373 56.287 0.050 0.000 1.045 192 K CB -0.206 32.313 32.500 0.033 0.000 0.902 192 K HN 1.054 nan 8.250 nan 0.000 0.478 193 T N 1.960 116.567 114.554 0.089 0.000 2.906 193 T HA 0.457 4.807 4.350 -0.000 0.000 0.295 193 T C -0.925 173.724 174.700 -0.085 0.000 1.061 193 T CA -1.140 60.969 62.100 0.015 0.000 1.000 193 T CB 1.337 70.147 68.868 -0.097 0.000 1.103 193 T HN 0.486 nan 8.240 nan 0.000 0.486 194 L N 2.090 123.070 121.223 -0.405 0.000 2.317 194 L HA 0.826 5.166 4.340 -0.000 0.000 0.281 194 L C -1.312 175.310 176.870 -0.413 0.000 1.024 194 L CA -0.639 53.819 54.840 -0.636 0.000 0.810 194 L CB 1.580 42.788 42.059 -1.418 0.000 1.240 194 L HN 0.670 nan 8.230 nan 0.000 0.427 195 V N 5.739 125.454 119.914 -0.331 0.000 2.407 195 V HA 0.401 4.521 4.120 -0.000 0.000 0.291 195 V C -0.416 175.536 176.094 -0.237 0.000 1.018 195 V CA -0.668 61.470 62.300 -0.270 0.000 0.842 195 V CB 1.720 33.390 31.823 -0.255 0.000 0.996 195 V HN 0.529 nan 8.190 nan 0.000 0.426 196 V N 4.755 124.548 119.914 -0.202 0.000 2.364 196 V HA 0.918 5.038 4.120 -0.000 0.000 0.272 196 V C 0.633 176.659 176.094 -0.113 0.000 1.036 196 V CA 0.679 62.891 62.300 -0.147 0.000 0.880 196 V CB 0.771 32.514 31.823 -0.133 0.000 0.991 196 V HN 1.247 nan 8.190 nan 0.000 0.460 197 G N 4.082 112.835 108.800 -0.078 0.000 2.402 197 G HA2 0.453 4.413 3.960 -0.000 0.000 0.666 197 G HA3 0.453 4.413 3.960 -0.000 0.000 0.666 197 G C -0.320 174.558 174.900 -0.036 0.000 1.402 197 G CA -0.048 45.019 45.100 -0.054 0.000 0.920 197 G HN 1.269 nan 8.290 nan 0.000 0.651 198 A N -0.102 122.718 122.820 0.001 0.000 2.635 198 A HA 0.744 5.064 4.320 -0.000 0.000 0.279 198 A C 1.268 178.877 177.584 0.040 0.000 1.122 198 A CA 1.356 53.413 52.037 0.033 0.000 0.965 198 A CB -0.283 18.762 19.000 0.076 0.000 1.221 198 A HN 2.280 nan 8.150 nan 0.000 0.566 199 S N -0.676 115.040 115.700 0.026 0.000 2.607 199 S HA 0.363 4.833 4.470 -0.000 0.000 0.272 199 S C 1.306 175.938 174.600 0.054 0.000 1.166 199 S CA 0.221 58.459 58.200 0.063 0.000 1.021 199 S CB -0.369 62.894 63.200 0.105 0.000 1.113 199 S HN 0.918 nan 8.310 nan 0.000 0.531 200 Y N -0.206 120.069 120.300 -0.041 0.000 2.128 200 Y HA -0.063 4.487 4.550 -0.000 0.000 0.284 200 Y C 2.019 177.940 175.900 0.036 0.000 1.154 200 Y CA 1.296 59.381 58.100 -0.026 0.000 1.149 200 Y CB -1.733 36.708 38.460 -0.031 0.000 0.976 200 Y HN 0.227 nan 8.280 nan 0.000 0.505 201 V N 1.464 121.061 119.914 -0.528 0.000 2.287 201 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 201 V C 2.940 178.960 176.094 -0.123 0.000 1.053 201 V CA 2.137 64.258 62.300 -0.298 0.000 1.027 201 V CB -1.646 29.985 31.823 -0.319 0.000 0.646 201 V HN 0.669 nan 8.190 nan 0.000 0.447 202 A N -0.204 122.539 122.820 -0.128 0.000 1.865 202 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 202 A C 2.235 179.770 177.584 -0.083 0.000 1.191 202 A CA 2.007 53.977 52.037 -0.112 0.000 0.623 202 A CB -0.620 18.320 19.000 -0.100 0.000 0.826 202 A HN 0.486 nan 8.150 nan 0.000 0.444 203 L N -0.645 120.565 121.223 -0.022 0.000 2.017 203 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 203 L C 2.695 179.587 176.870 0.037 0.000 1.073 203 L CA 1.833 56.688 54.840 0.024 0.000 0.745 203 L CB -0.803 41.304 42.059 0.080 0.000 0.894 203 L HN 0.523 nan 8.230 nan 0.000 0.432 204 E N -0.510 119.738 120.200 0.081 0.000 2.051 204 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 204 E C 2.327 178.988 176.600 0.103 0.000 0.991 204 E CA 1.666 58.162 56.400 0.160 0.000 0.799 204 E CB -0.310 29.546 29.700 0.260 0.000 0.748 204 E HN 0.530 nan 8.360 nan 0.000 0.449 205 C N 1.047 120.325 119.300 -0.036 0.000 2.432 205 C HA -0.089 4.371 4.460 -0.000 0.000 0.277 205 C C 3.023 177.654 174.990 -0.599 0.000 1.249 205 C CA 0.831 59.578 59.018 -0.450 0.000 1.725 205 C CB -1.058 26.520 27.740 -0.270 0.000 2.028 205 C HN 0.543 nan 8.230 nan 0.000 0.477 206 A N 0.898 123.538 122.820 -0.299 0.000 1.908 206 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 206 A C 2.366 179.838 177.584 -0.186 0.000 1.181 206 A CA 2.239 54.123 52.037 -0.254 0.000 0.627 206 A CB -1.316 17.558 19.000 -0.210 0.000 0.818 206 A HN 0.568 nan 8.150 nan 0.000 0.445 207 G N 0.100 108.850 108.800 -0.083 0.000 2.514 207 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 207 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 207 G C 1.410 176.373 174.900 0.106 0.000 1.198 207 G CA 1.470 46.605 45.100 0.060 0.000 0.780 207 G HN 0.858 nan 8.290 nan 0.000 0.565 208 F N 0.256 120.298 119.950 0.153 0.000 2.259 208 F HA 0.227 4.754 4.527 -0.000 0.000 0.298 208 F C 2.103 177.975 175.800 0.121 0.000 1.088 208 F CA 0.177 58.275 58.000 0.163 0.000 1.358 208 F CB -0.789 38.336 39.000 0.209 0.000 1.040 208 F HN 0.015 nan 8.300 nan 0.000 0.505 209 L N 1.681 122.702 121.223 -0.336 0.000 2.013 209 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 209 L C 2.739 179.621 176.870 0.020 0.000 1.073 209 L CA 1.861 56.631 54.840 -0.116 0.000 0.753 209 L CB -1.693 40.208 42.059 -0.262 0.000 0.890 209 L HN 0.372 nan 8.230 nan 0.000 0.432 210 A N -1.200 121.619 122.820 -0.002 0.000 1.930 210 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 210 A C 2.363 179.989 177.584 0.069 0.000 1.175 210 A CA 1.372 53.428 52.037 0.032 0.000 0.627 210 A CB -1.197 17.821 19.000 0.031 0.000 0.815 210 A HN 0.463 nan 8.150 nan 0.000 0.443 211 G N -0.430 108.436 108.800 0.109 0.000 2.422 211 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.218 211 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.218 211 G C 1.153 176.085 174.900 0.053 0.000 1.140 211 G CA 1.050 46.216 45.100 0.109 0.000 0.775 211 G HN 0.378 nan 8.290 nan 0.000 0.545 212 I N 0.809 121.401 120.570 0.037 0.000 3.564 212 I HA 0.257 4.427 4.170 -0.000 0.000 0.294 212 I C 1.942 178.060 176.117 0.003 0.000 1.289 212 I CA 0.521 61.757 61.300 -0.106 0.000 1.325 212 I CB 0.200 38.107 38.000 -0.155 0.000 1.039 212 I HN 0.311 nan 8.210 nan 0.000 0.474 213 G N -0.372 108.458 108.800 0.050 0.000 2.168 213 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.197 213 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.197 213 G C 0.277 175.216 174.900 0.064 0.000 0.997 213 G CA -0.274 44.865 45.100 0.065 0.000 0.658 213 G HN 0.236 nan 8.290 nan 0.000 0.513 214 L N 0.815 122.072 121.223 0.057 0.000 2.399 214 L HA 0.515 4.855 4.340 -0.000 0.000 0.265 214 L C 0.314 177.195 176.870 0.019 0.000 1.089 214 L CA -0.976 53.886 54.840 0.035 0.000 0.802 214 L CB 0.865 42.934 42.059 0.017 0.000 1.180 214 L HN 0.090 nan 8.230 nan 0.000 0.454 215 D N 1.748 122.157 120.400 0.015 0.000 2.344 215 D HA 0.212 4.852 4.640 -0.000 0.000 0.253 215 D C -0.949 175.360 176.300 0.014 0.000 1.255 215 D CA 0.024 54.033 54.000 0.014 0.000 0.894 215 D CB 0.752 41.559 40.800 0.012 0.000 1.067 215 D HN 0.054 nan 8.370 nan 0.000 0.492 216 V N 3.451 123.362 119.914 -0.004 0.000 2.628 216 V HA 0.504 4.624 4.120 -0.000 0.000 0.306 216 V C 0.426 176.482 176.094 -0.063 0.000 1.045 216 V CA -0.631 61.643 62.300 -0.043 0.000 0.905 216 V CB 2.228 33.999 31.823 -0.087 0.000 0.997 216 V HN 0.520 nan 8.190 nan 0.000 0.436 217 T N 3.092 117.585 114.554 -0.101 0.000 2.921 217 T HA 0.567 4.917 4.350 -0.000 0.000 0.297 217 T C -0.886 173.647 174.700 -0.278 0.000 1.013 217 T CA -0.344 61.675 62.100 -0.135 0.000 0.990 217 T CB 1.804 70.693 68.868 0.035 0.000 1.023 217 T HN 0.353 nan 8.240 nan 0.000 0.447 218 V N 4.233 123.880 119.914 -0.446 0.000 2.417 218 V HA 0.534 4.654 4.120 -0.000 0.000 0.291 218 V C -0.150 175.767 176.094 -0.296 0.000 1.024 218 V CA -0.822 61.183 62.300 -0.492 0.000 0.861 218 V CB 1.537 32.826 31.823 -0.891 0.000 0.985 218 V HN 0.911 nan 8.190 nan 0.000 0.436 219 M N 7.464 126.962 119.600 -0.171 0.000 2.066 219 M HA 0.613 5.093 4.480 -0.000 0.000 0.340 219 M C -0.725 175.580 176.300 0.009 0.000 1.053 219 M CA -0.414 54.861 55.300 -0.041 0.000 0.983 219 M CB 1.248 33.818 32.600 -0.050 0.000 1.520 219 M HN 0.607 nan 8.290 nan 0.000 0.428 220 V N 3.697 123.662 119.914 0.084 0.000 2.532 220 V HA 0.581 4.701 4.120 -0.000 0.000 0.295 220 V C 0.700 176.845 176.094 0.085 0.000 1.041 220 V CA -0.519 61.834 62.300 0.088 0.000 0.926 220 V CB 1.816 33.721 31.823 0.136 0.000 0.992 220 V HN 1.101 nan 8.190 nan 0.000 0.457 221 R N 3.320 123.855 120.500 0.058 0.000 2.055 221 R HA 0.072 4.412 4.340 -0.000 0.000 0.228 221 R C 1.609 177.927 176.300 0.029 0.000 1.143 221 R CA 2.098 58.223 56.100 0.042 0.000 0.945 221 R CB -0.045 30.275 30.300 0.034 0.000 0.841 221 R HN 1.048 nan 8.270 nan 0.000 0.429 222 S N -0.694 115.029 115.700 0.037 0.000 3.830 222 S HA 0.261 4.731 4.470 -0.000 0.000 0.172 222 S C 0.512 175.135 174.600 0.038 0.000 0.966 222 S CA -0.300 57.916 58.200 0.028 0.000 1.124 222 S CB -0.415 62.799 63.200 0.023 0.000 1.697 222 S HN 0.271 nan 8.310 nan 0.000 0.872 223 I N 2.128 122.723 120.570 0.042 0.000 2.918 223 I HA 0.546 4.716 4.170 -0.000 0.000 0.316 223 I C -1.351 174.801 176.117 0.058 0.000 1.001 223 I CA -1.244 60.082 61.300 0.043 0.000 1.142 223 I CB 1.297 39.322 38.000 0.041 0.000 1.356 223 I HN 0.493 nan 8.210 nan 0.000 0.524 224 L N 4.709 125.964 121.223 0.053 0.000 2.360 224 L HA 0.348 4.688 4.340 -0.000 0.000 0.271 224 L C 0.406 177.312 176.870 0.059 0.000 1.057 224 L CA -1.020 53.858 54.840 0.063 0.000 0.803 224 L CB 1.235 43.326 42.059 0.054 0.000 1.207 224 L HN 0.674 nan 8.230 nan 0.000 0.445 225 L N 1.317 122.572 121.223 0.053 0.000 3.739 225 L HA -0.230 4.110 4.340 -0.000 0.000 0.442 225 L C 0.908 177.880 176.870 0.170 0.000 1.241 225 L CA 0.277 55.136 54.840 0.032 0.000 0.819 225 L CB -1.223 40.780 42.059 -0.094 0.000 1.679 225 L HN 0.798 nan 8.230 nan 0.000 0.889 226 R N 0.717 121.314 120.500 0.163 0.000 2.583 226 R HA 0.212 4.552 4.340 -0.000 0.000 0.274 226 R C 1.359 177.831 176.300 0.287 0.000 0.998 226 R CA 1.403 57.613 56.100 0.183 0.000 1.081 226 R CB 0.343 30.722 30.300 0.132 0.000 0.940 226 R HN 0.468 nan 8.270 nan 0.000 0.413 227 G N 3.014 111.973 108.800 0.265 0.000 2.339 227 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.209 227 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.209 227 G C -0.382 174.649 174.900 0.218 0.000 1.015 227 G CA -0.169 45.075 45.100 0.239 0.000 0.635 227 G HN 0.490 nan 8.290 nan 0.000 0.499 228 F N 1.756 121.781 119.950 0.126 0.000 2.497 228 F HA 0.593 5.120 4.527 -0.000 0.000 0.331 228 F C 0.514 176.402 175.800 0.146 0.000 1.060 228 F CA -1.382 56.724 58.000 0.178 0.000 0.989 228 F CB 0.783 39.942 39.000 0.265 0.000 1.245 228 F HN -0.001 nan 8.300 nan 0.000 0.486 229 D N 2.024 122.649 120.400 0.375 0.000 2.518 229 D HA -0.114 4.526 4.640 -0.000 0.000 0.270 229 D C 1.086 177.442 176.300 0.094 0.000 1.338 229 D CA 0.396 54.495 54.000 0.165 0.000 0.983 229 D CB 0.684 41.499 40.800 0.025 0.000 1.126 229 D HN 0.400 nan 8.370 nan 0.000 0.543 230 Q N 2.919 122.758 119.800 0.064 0.000 2.197 230 Q HA -0.209 4.131 4.340 -0.000 0.000 0.207 230 Q C 1.182 177.152 176.000 -0.050 0.000 0.984 230 Q CA 1.414 57.229 55.803 0.020 0.000 0.869 230 Q CB -0.066 28.685 28.738 0.023 0.000 0.906 230 Q HN 0.651 nan 8.270 nan 0.000 0.426 231 D N -0.357 119.995 120.400 -0.081 0.000 2.097 231 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 231 D C 1.814 177.977 176.300 -0.228 0.000 0.984 231 D CA 0.917 54.832 54.000 -0.143 0.000 0.826 231 D CB 0.101 40.817 40.800 -0.141 0.000 0.973 231 D HN 0.034 nan 8.370 nan 0.000 0.460 232 M N 0.634 120.079 119.600 -0.257 0.000 2.106 232 M HA -0.125 4.355 4.480 -0.000 0.000 0.259 232 M C 2.372 178.440 176.300 -0.387 0.000 1.068 232 M CA 1.358 56.411 55.300 -0.410 0.000 1.100 232 M CB -1.452 30.810 32.600 -0.562 0.000 1.351 232 M HN 0.114 nan 8.290 nan 0.000 0.404 233 A N 1.145 123.824 122.820 -0.234 0.000 1.865 233 A HA -0.199 4.120 4.320 -0.000 0.000 0.217 233 A C 2.042 179.535 177.584 -0.151 0.000 1.191 233 A CA 1.982 53.924 52.037 -0.157 0.000 0.623 233 A CB -0.844 18.128 19.000 -0.046 0.000 0.826 233 A HN 0.528 nan 8.150 nan 0.000 0.444 234 N N -0.050 118.563 118.700 -0.145 0.000 2.223 234 N HA -0.118 4.622 4.740 -0.000 0.000 0.185 234 N C 1.593 177.005 175.510 -0.163 0.000 1.016 234 N CA 1.393 54.358 53.050 -0.142 0.000 0.863 234 N CB -0.311 38.103 38.487 -0.121 0.000 0.983 234 N HN 0.584 nan 8.380 nan 0.000 0.429 235 K N 0.676 120.951 120.400 -0.208 0.000 2.097 235 K HA -0.002 4.318 4.320 -0.000 0.000 0.205 235 K C 2.075 178.592 176.600 -0.138 0.000 1.050 235 K CA 0.732 56.899 56.287 -0.201 0.000 0.938 235 K CB -0.106 32.206 32.500 -0.313 0.000 0.718 235 K HN 0.121 nan 8.250 nan 0.000 0.442 236 I N 0.864 121.338 120.570 -0.160 0.000 2.163 236 I HA -0.236 3.934 4.170 -0.000 0.000 0.243 236 I C 2.542 178.644 176.117 -0.024 0.000 1.085 236 I CA 1.570 62.822 61.300 -0.080 0.000 1.347 236 I CB -0.789 37.162 38.000 -0.082 0.000 1.044 236 I HN 0.267 nan 8.210 nan 0.000 0.408 237 G N 0.362 109.103 108.800 -0.097 0.000 2.514 237 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 237 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 237 G C 1.521 176.279 174.900 -0.236 0.000 1.198 237 G CA 0.907 45.877 45.100 -0.217 0.000 0.780 237 G HN 0.440 nan 8.290 nan 0.000 0.565 238 E N -0.519 119.586 120.200 -0.159 0.000 2.160 238 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 238 E C 2.165 178.757 176.600 -0.013 0.000 0.991 238 E CA 0.848 57.182 56.400 -0.110 0.000 0.810 238 E CB -0.288 29.371 29.700 -0.069 0.000 0.742 238 E HN 0.614 nan 8.360 nan 0.000 0.466 239 H N 0.635 119.665 119.070 -0.067 0.000 2.326 239 H HA -0.042 4.514 4.556 -0.000 0.000 0.301 239 H C 2.113 177.443 175.328 0.004 0.000 1.081 239 H CA 1.275 57.296 56.048 -0.045 0.000 1.334 239 H CB 0.025 29.718 29.762 -0.114 0.000 1.385 239 H HN 0.137 nan 8.280 nan 0.000 0.504 240 M N 0.529 120.173 119.600 0.073 0.000 2.108 240 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 240 M C 2.448 178.844 176.300 0.161 0.000 1.066 240 M CA 1.870 57.257 55.300 0.145 0.000 1.107 240 M CB -0.153 32.648 32.600 0.335 0.000 1.356 240 M HN 0.343 nan 8.290 nan 0.000 0.406 241 E N 0.233 120.481 120.200 0.080 0.000 2.106 241 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 241 E C 1.568 178.208 176.600 0.066 0.000 0.984 241 E CA 1.060 57.511 56.400 0.086 0.000 0.806 241 E CB 0.104 29.756 29.700 -0.080 0.000 0.750 241 E HN 0.546 nan 8.360 nan 0.000 0.458 242 E N -0.575 119.663 120.200 0.063 0.000 2.347 242 E HA -0.120 4.230 4.350 -0.000 0.000 0.196 242 E C 0.241 176.845 176.600 0.006 0.000 1.008 242 E CA 0.535 56.970 56.400 0.058 0.000 0.852 242 E CB 0.050 29.813 29.700 0.105 0.000 0.783 242 E HN 0.378 nan 8.360 nan 0.000 0.505 243 H N -0.507 118.459 119.070 -0.173 0.000 2.507 243 H HA 0.295 4.851 4.556 -0.000 0.000 0.271 243 H C 0.663 175.965 175.328 -0.043 0.000 1.224 243 H CA -0.058 55.907 56.048 -0.139 0.000 1.000 243 H CB 0.470 30.090 29.762 -0.237 0.000 1.663 243 H HN 0.194 nan 8.280 nan 0.000 0.548 244 G N 0.856 109.687 108.800 0.052 0.000 2.198 244 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 244 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 244 G C 0.090 175.036 174.900 0.076 0.000 1.025 244 G CA 0.034 45.165 45.100 0.051 0.000 0.769 244 G HN 0.480 nan 8.290 nan 0.000 0.507 245 I N 0.446 121.092 120.570 0.128 0.000 2.315 245 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 245 I C 0.553 176.783 176.117 0.188 0.000 1.006 245 I CA -0.596 60.775 61.300 0.118 0.000 1.265 245 I CB 1.143 39.240 38.000 0.162 0.000 1.387 245 I HN 0.013 nan 8.210 nan 0.000 0.475 246 K N 5.994 126.438 120.400 0.073 0.000 2.174 246 K HA 0.523 4.843 4.320 -0.000 0.000 0.275 246 K C -1.143 175.489 176.600 0.053 0.000 1.015 246 K CA -0.204 56.158 56.287 0.126 0.000 0.933 246 K CB 1.058 33.599 32.500 0.068 0.000 1.025 246 K HN 0.238 nan 8.250 nan 0.000 0.463 247 F N 1.968 121.934 119.950 0.026 0.000 2.520 247 F HA 0.460 4.987 4.527 -0.000 0.000 0.322 247 F C -0.115 175.715 175.800 0.049 0.000 1.103 247 F CA -0.836 57.182 58.000 0.030 0.000 0.926 247 F CB 1.251 40.267 39.000 0.026 0.000 1.154 247 F HN 0.218 nan 8.300 nan 0.000 0.453 248 I N 4.815 125.500 120.570 0.191 0.000 2.382 248 I HA 0.402 4.572 4.170 -0.000 0.000 0.285 248 I C -0.529 175.744 176.117 0.260 0.000 1.007 248 I CA -0.917 60.502 61.300 0.199 0.000 1.142 248 I CB 0.983 39.055 38.000 0.119 0.000 1.289 248 I HN 0.357 nan 8.210 nan 0.000 0.453 249 R N 4.891 125.547 120.500 0.260 0.000 2.349 249 R HA 0.373 4.712 4.340 -0.000 0.000 0.299 249 R C -0.295 176.080 176.300 0.124 0.000 1.027 249 R CA -0.663 55.549 56.100 0.186 0.000 0.958 249 R CB 0.865 31.236 30.300 0.118 0.000 1.047 249 R HN 0.582 nan 8.270 nan 0.000 0.468 250 Q N 0.783 120.612 119.800 0.049 0.000 2.455 250 Q HA -0.213 4.127 4.340 -0.000 0.000 0.343 250 Q C -1.388 174.444 176.000 -0.281 0.000 1.458 250 Q CA 0.812 56.555 55.803 -0.101 0.000 0.923 250 Q CB -1.133 27.497 28.738 -0.180 0.000 1.149 250 Q HN 0.423 nan 8.270 nan 0.000 0.357 251 F N -1.035 118.928 119.950 0.022 0.000 2.678 251 F HA 0.673 5.200 4.527 -0.000 0.000 0.308 251 F C -0.530 175.274 175.800 0.007 0.000 1.118 251 F CA -0.875 57.135 58.000 0.016 0.000 0.959 251 F CB 1.908 40.919 39.000 0.019 0.000 1.305 251 F HN -0.123 nan 8.300 nan 0.000 0.443 252 V N 3.010 123.075 119.914 0.251 0.000 2.668 252 V HA 0.422 4.542 4.120 -0.000 0.000 0.304 252 V C -2.442 173.716 176.094 0.106 0.000 1.071 252 V CA -2.117 60.259 62.300 0.126 0.000 0.894 252 V CB 2.165 34.034 31.823 0.077 0.000 1.008 252 V HN 0.455 nan 8.190 nan 0.000 0.425 253 P HA 0.052 nan 4.420 nan 0.000 0.264 253 P C 0.755 178.084 177.300 0.048 0.000 1.179 253 P CA 0.599 63.720 63.100 0.035 0.000 0.763 253 P CB 0.551 32.253 31.700 0.004 0.000 0.806 254 T N -0.591 113.991 114.554 0.048 0.000 2.964 254 T HA 0.194 4.544 4.350 -0.000 0.000 0.249 254 T C 0.181 174.908 174.700 0.046 0.000 1.000 254 T CA -0.026 62.104 62.100 0.050 0.000 0.992 254 T CB 0.117 69.017 68.868 0.053 0.000 1.087 254 T HN 0.522 nan 8.240 nan 0.000 0.489 255 K N 0.393 120.819 120.400 0.044 0.000 2.572 255 K HA 0.629 4.949 4.320 -0.000 0.000 0.263 255 K C -2.122 174.510 176.600 0.053 0.000 0.932 255 K CA -1.160 55.157 56.287 0.050 0.000 0.838 255 K CB 1.856 34.383 32.500 0.044 0.000 1.366 255 K HN 0.170 nan 8.250 nan 0.000 0.425 256 I N 0.663 121.278 120.570 0.075 0.000 2.439 256 I HA 0.375 4.545 4.170 -0.000 0.000 0.285 256 I C -1.509 174.664 176.117 0.093 0.000 1.021 256 I CA 0.045 61.392 61.300 0.079 0.000 1.091 256 I CB 1.722 39.775 38.000 0.088 0.000 1.242 256 I HN 0.741 nan 8.210 nan 0.000 0.439 257 E N 5.134 125.348 120.200 0.023 0.000 2.244 257 E HA 0.409 4.759 4.350 -0.000 0.000 0.266 257 E C -1.249 175.244 176.600 -0.178 0.000 0.914 257 E CA -0.960 55.411 56.400 -0.048 0.000 0.794 257 E CB 1.518 31.201 29.700 -0.028 0.000 1.210 257 E HN 0.635 nan 8.360 nan 0.000 0.414 258 Q N 2.453 122.023 119.800 -0.382 0.000 2.349 258 Q HA 0.200 4.540 4.340 -0.000 0.000 0.254 258 Q C 0.063 175.918 176.000 -0.241 0.000 0.980 258 Q CA -0.063 55.467 55.803 -0.454 0.000 0.924 258 Q CB 0.541 28.750 28.738 -0.881 0.000 1.209 258 Q HN 0.736 nan 8.270 nan 0.000 0.445 259 I N 2.479 122.953 120.570 -0.160 0.000 2.353 259 I HA -0.040 4.129 4.170 -0.000 0.000 0.248 259 I C 0.753 176.808 176.117 -0.103 0.000 1.119 259 I CA 0.974 62.209 61.300 -0.109 0.000 1.417 259 I CB 0.296 38.246 38.000 -0.084 0.000 1.078 259 I HN 0.647 nan 8.210 nan 0.000 0.421 260 E N 0.089 120.221 120.200 -0.114 0.000 2.352 260 E HA 0.556 4.906 4.350 -0.000 0.000 0.280 260 E C -1.320 175.218 176.600 -0.102 0.000 0.930 260 E CA -0.663 55.681 56.400 -0.094 0.000 0.765 260 E CB 1.914 31.570 29.700 -0.073 0.000 1.219 260 E HN 0.095 nan 8.360 nan 0.000 0.434 261 A N 1.881 124.652 122.820 -0.082 0.000 2.287 261 A HA 0.909 5.229 4.320 -0.000 0.000 0.273 261 A C 0.332 177.871 177.584 -0.076 0.000 1.091 261 A CA 0.493 52.490 52.037 -0.067 0.000 0.817 261 A CB 0.895 19.875 19.000 -0.033 0.000 1.069 261 A HN 0.813 nan 8.150 nan 0.000 0.492 262 G N -1.366 107.378 108.800 -0.094 0.000 2.345 262 G HA2 0.465 4.425 3.960 -0.000 0.000 0.310 262 G HA3 0.465 4.425 3.960 -0.000 0.000 0.310 262 G C 0.124 174.874 174.900 -0.251 0.000 1.476 262 G CA 0.475 45.495 45.100 -0.134 0.000 0.978 262 G HN 1.456 nan 8.290 nan 0.000 0.656 263 T N -0.662 113.694 114.554 -0.330 0.000 2.571 263 T HA 0.098 4.448 4.350 -0.000 0.000 0.225 263 T C -1.683 172.524 174.700 -0.822 0.000 1.319 263 T CA 1.216 62.871 62.100 -0.741 0.000 1.602 263 T CB -1.228 67.314 68.868 -0.544 0.000 0.979 263 T HN 0.466 nan 8.240 nan 0.000 0.379 264 P HA 0.284 nan 4.420 nan 0.000 0.263 264 P C 0.425 177.618 177.300 -0.178 0.000 1.276 264 P CA 0.026 62.986 63.100 -0.234 0.000 0.986 264 P CB -0.059 31.594 31.700 -0.078 0.000 1.105 265 G N 3.626 112.327 108.800 -0.164 0.000 2.546 265 G HA2 0.383 4.343 3.960 -0.000 0.000 0.239 265 G HA3 0.383 4.343 3.960 -0.000 0.000 0.239 265 G C -0.557 174.299 174.900 -0.073 0.000 1.476 265 G CA -0.640 44.392 45.100 -0.112 0.000 1.064 265 G HN 0.320 nan 8.290 nan 0.000 0.561 266 R N -0.864 119.592 120.500 -0.074 0.000 2.483 266 R HA 0.464 4.804 4.340 -0.000 0.000 0.303 266 R C -0.853 175.410 176.300 -0.063 0.000 0.987 266 R CA -0.336 55.729 56.100 -0.058 0.000 0.881 266 R CB 1.685 31.944 30.300 -0.068 0.000 1.177 266 R HN 0.250 nan 8.270 nan 0.000 0.451 267 L N 2.242 123.460 121.223 -0.008 0.000 2.334 267 L HA 0.564 4.904 4.340 -0.000 0.000 0.273 267 L C -0.247 176.649 176.870 0.043 0.000 1.013 267 L CA -1.085 53.751 54.840 -0.006 0.000 0.816 267 L CB 1.794 43.874 42.059 0.036 0.000 1.278 267 L HN 0.361 nan 8.230 nan 0.000 0.431 268 K N 2.008 122.416 120.400 0.013 0.000 2.389 268 K HA 0.507 4.827 4.320 -0.000 0.000 0.261 268 K C -1.368 175.272 176.600 0.066 0.000 1.014 268 K CA -0.387 55.917 56.287 0.028 0.000 0.920 268 K CB 1.137 33.627 32.500 -0.017 0.000 1.149 268 K HN 0.340 nan 8.250 nan 0.000 0.444 269 V N 3.403 123.401 119.914 0.140 0.000 2.472 269 V HA 0.555 4.675 4.120 -0.000 0.000 0.290 269 V C 0.058 176.193 176.094 0.067 0.000 1.037 269 V CA -0.687 61.676 62.300 0.106 0.000 0.908 269 V CB 1.304 33.197 31.823 0.116 0.000 0.985 269 V HN 0.948 nan 8.190 nan 0.000 0.454 270 T N 1.146 115.718 114.554 0.031 0.000 2.893 270 T HA 0.917 5.267 4.350 -0.000 0.000 0.291 270 T C -0.576 174.126 174.700 0.005 0.000 1.028 270 T CA -0.281 61.822 62.100 0.006 0.000 0.995 270 T CB 2.092 70.967 68.868 0.011 0.000 1.051 270 T HN 1.350 nan 8.240 nan 0.000 0.470 271 A N 1.853 124.661 122.820 -0.020 0.000 2.594 271 A HA 0.868 5.188 4.320 -0.000 0.000 0.291 271 A C -1.014 176.668 177.584 0.163 0.000 1.105 271 A CA -0.998 51.067 52.037 0.046 0.000 0.694 271 A CB 1.934 20.943 19.000 0.016 0.000 1.291 271 A HN 1.053 nan 8.150 nan 0.000 0.410 272 K N 0.367 120.949 120.400 0.303 0.000 2.385 272 K HA 0.741 5.061 4.320 -0.000 0.000 0.248 272 K C -0.185 176.599 176.600 0.306 0.000 0.955 272 K CA 0.209 56.699 56.287 0.338 0.000 0.816 272 K CB 2.091 34.684 32.500 0.155 0.000 1.250 272 K HN 1.024 nan 8.250 nan 0.000 0.434 273 S N 0.030 115.728 115.700 -0.004 0.000 2.841 273 S HA 0.162 4.632 4.470 -0.000 0.000 0.274 273 S C 1.109 175.608 174.600 -0.168 0.000 1.044 273 S CA 0.281 58.283 58.200 -0.331 0.000 0.952 273 S CB 0.396 62.983 63.200 -1.020 0.000 1.331 273 S HN 0.719 nan 8.310 nan 0.000 0.610 274 T N -1.406 113.033 114.554 -0.191 0.000 3.148 274 T HA 0.087 4.437 4.350 -0.000 0.000 0.253 274 T C 0.971 175.618 174.700 -0.089 0.000 1.134 274 T CA 1.090 63.128 62.100 -0.103 0.000 1.051 274 T CB -0.805 68.008 68.868 -0.092 0.000 0.959 274 T HN 0.535 nan 8.240 nan 0.000 0.525 275 N N 0.400 119.028 118.700 -0.120 0.000 2.270 275 N HA 0.132 4.872 4.740 -0.000 0.000 0.198 275 N C 0.870 176.363 175.510 -0.028 0.000 1.117 275 N CA 0.443 53.447 53.050 -0.077 0.000 0.845 275 N CB -0.432 37.986 38.487 -0.115 0.000 0.980 275 N HN 0.269 nan 8.380 nan 0.000 0.486 276 S N -0.937 114.755 115.700 -0.013 0.000 2.868 276 S HA -0.285 4.185 4.470 -0.000 0.000 0.270 276 S C 0.072 174.703 174.600 0.052 0.000 1.300 276 S CA 1.394 59.606 58.200 0.020 0.000 1.362 276 S CB -1.381 61.828 63.200 0.014 0.000 1.685 276 S HN 0.794 nan 8.310 nan 0.000 0.682 277 E N 1.295 121.539 120.200 0.073 0.000 2.371 277 E HA 0.396 4.746 4.350 -0.000 0.000 0.257 277 E C -0.069 176.653 176.600 0.204 0.000 1.134 277 E CA -0.324 56.151 56.400 0.126 0.000 0.919 277 E CB 0.623 30.414 29.700 0.152 0.000 1.025 277 E HN 0.477 nan 8.360 nan 0.000 0.438 278 E N 1.188 121.484 120.200 0.159 0.000 2.340 278 E HA 0.315 4.664 4.350 -0.000 0.000 0.273 278 E C -1.747 174.876 176.600 0.039 0.000 0.891 278 E CA -0.734 55.747 56.400 0.135 0.000 0.757 278 E CB 1.817 31.568 29.700 0.085 0.000 1.231 278 E HN 0.516 nan 8.360 nan 0.000 0.439 279 T N 1.389 115.900 114.554 -0.072 0.000 2.848 279 T HA 0.425 4.775 4.350 -0.000 0.000 0.285 279 T C 0.544 175.181 174.700 -0.105 0.000 0.995 279 T CA -0.955 61.062 62.100 -0.137 0.000 0.970 279 T CB 0.748 69.441 68.868 -0.292 0.000 0.976 279 T HN 0.550 nan 8.240 nan 0.000 0.441 280 I N 0.144 120.675 120.570 -0.066 0.000 2.224 280 I HA 0.403 4.573 4.170 -0.000 0.000 0.293 280 I C -0.117 175.969 176.117 -0.052 0.000 1.155 280 I CA -0.661 60.613 61.300 -0.043 0.000 1.297 280 I CB -0.219 37.763 38.000 -0.030 0.000 1.487 280 I HN 0.641 nan 8.210 nan 0.000 0.564 281 E N 5.424 125.607 120.200 -0.027 0.000 2.606 281 E HA -0.056 4.294 4.350 -0.000 0.000 0.248 281 E C -0.200 176.338 176.600 -0.103 0.000 1.005 281 E CA -0.063 56.335 56.400 -0.004 0.000 0.946 281 E CB 0.302 30.123 29.700 0.202 0.000 0.928 281 E HN 0.620 nan 8.360 nan 0.000 0.494 282 D N 3.957 124.221 120.400 -0.227 0.000 2.795 282 D HA -0.202 4.438 4.640 -0.000 0.000 0.221 282 D C 0.223 176.180 176.300 -0.571 0.000 1.108 282 D CA 0.466 54.268 54.000 -0.330 0.000 0.832 282 D CB 0.377 40.966 40.800 -0.351 0.000 1.183 282 D HN 0.467 nan 8.370 nan 0.000 0.503 283 E N 0.251 120.234 120.200 -0.362 0.000 2.485 283 E HA 0.136 4.486 4.350 -0.000 0.000 0.266 283 E C -0.500 175.742 176.600 -0.597 0.000 1.090 283 E CA 0.095 56.325 56.400 -0.283 0.000 0.987 283 E CB 0.086 29.699 29.700 -0.146 0.000 0.974 283 E HN 0.400 nan 8.360 nan 0.000 0.455 284 F N -0.316 119.596 119.950 -0.063 0.000 2.640 284 F HA 0.293 4.820 4.527 -0.000 0.000 0.324 284 F C 1.249 177.013 175.800 -0.060 0.000 1.077 284 F CA -1.134 56.829 58.000 -0.062 0.000 0.965 284 F CB 0.880 39.840 39.000 -0.065 0.000 1.351 284 F HN 0.270 nan 8.300 nan 0.000 0.487 285 N N -0.570 118.213 118.700 0.140 0.000 2.290 285 N HA 0.045 4.785 4.740 -0.000 0.000 0.179 285 N C -0.086 175.461 175.510 0.062 0.000 1.016 285 N CA 1.030 54.113 53.050 0.056 0.000 0.871 285 N CB 0.226 38.725 38.487 0.021 0.000 0.987 285 N HN 0.493 nan 8.380 nan 0.000 0.431 286 T N 0.320 114.911 114.554 0.062 0.000 2.909 286 T HA 0.457 4.807 4.350 -0.000 0.000 0.299 286 T C -0.850 173.817 174.700 -0.055 0.000 1.073 286 T CA -0.504 61.607 62.100 0.019 0.000 0.999 286 T CB 3.048 71.909 68.868 -0.012 0.000 1.098 286 T HN -0.350 nan 8.240 nan 0.000 0.477 287 V N 3.436 123.304 119.914 -0.076 0.000 2.376 287 V HA 0.417 4.537 4.120 -0.000 0.000 0.287 287 V C -0.233 175.765 176.094 -0.159 0.000 1.015 287 V CA -0.769 61.429 62.300 -0.169 0.000 0.834 287 V CB 1.477 33.220 31.823 -0.133 0.000 1.001 287 V HN 0.726 nan 8.190 nan 0.000 0.428 288 L N 5.396 126.496 121.223 -0.205 0.000 2.295 288 L HA 0.339 4.679 4.340 -0.000 0.000 0.288 288 L C 0.483 177.227 176.870 -0.210 0.000 1.079 288 L CA -0.312 54.406 54.840 -0.203 0.000 0.830 288 L CB 1.071 42.997 42.059 -0.221 0.000 1.200 288 L HN 0.624 nan 8.230 nan 0.000 0.438 289 L N 4.828 125.919 121.223 -0.220 0.000 2.728 289 L HA 0.315 4.655 4.340 -0.000 0.000 0.235 289 L C 0.946 177.668 176.870 -0.246 0.000 1.197 289 L CA 0.127 54.823 54.840 -0.240 0.000 0.992 289 L CB 0.050 41.917 42.059 -0.319 0.000 1.263 289 L HN 0.621 nan 8.230 nan 0.000 0.484 290 A N -0.639 122.054 122.820 -0.213 0.000 2.454 290 A HA 0.409 4.729 4.320 -0.000 0.000 0.260 290 A C 0.423 177.920 177.584 -0.145 0.000 1.106 290 A CA 0.295 52.222 52.037 -0.182 0.000 0.780 290 A CB 0.535 19.438 19.000 -0.162 0.000 1.044 290 A HN 0.146 nan 8.150 nan 0.000 0.498 291 V N 2.444 122.287 119.914 -0.117 0.000 3.823 291 V HA 0.562 4.682 4.120 -0.000 0.000 0.594 291 V C 0.204 176.276 176.094 -0.037 0.000 1.832 291 V CA 1.087 63.343 62.300 -0.073 0.000 2.447 291 V CB -0.321 31.460 31.823 -0.070 0.000 1.172 291 V HN 2.305 nan 8.190 nan 0.000 0.640 292 G N 1.629 110.408 108.800 -0.034 0.000 2.357 292 G HA2 0.214 4.174 3.960 -0.000 0.000 0.643 292 G HA3 0.214 4.174 3.960 -0.000 0.000 0.643 292 G C -1.361 173.548 174.900 0.015 0.000 1.358 292 G CA -0.830 44.273 45.100 0.005 0.000 0.986 292 G HN 0.437 nan 8.290 nan 0.000 0.620 293 R N 0.195 120.721 120.500 0.043 0.000 2.626 293 R HA 0.542 4.882 4.340 -0.000 0.000 0.274 293 R C -1.922 174.419 176.300 0.068 0.000 1.031 293 R CA -1.034 55.101 56.100 0.058 0.000 0.898 293 R CB 2.481 32.820 30.300 0.065 0.000 1.222 293 R HN 0.520 nan 8.270 nan 0.000 0.455 294 D N 1.156 121.602 120.400 0.077 0.000 2.278 294 D HA 0.223 4.863 4.640 -0.000 0.000 0.245 294 D C -0.432 175.913 176.300 0.076 0.000 1.052 294 D CA -0.364 53.680 54.000 0.072 0.000 0.834 294 D CB 2.114 42.958 40.800 0.073 0.000 1.194 294 D HN 0.303 nan 8.370 nan 0.000 0.481 295 S N 0.838 116.578 115.700 0.066 0.000 2.549 295 S HA 0.052 4.522 4.470 -0.000 0.000 0.283 295 S C 0.430 175.071 174.600 0.068 0.000 1.320 295 S CA -0.490 57.748 58.200 0.065 0.000 1.058 295 S CB 0.262 63.493 63.200 0.052 0.000 0.882 295 S HN 0.460 nan 8.310 nan 0.000 0.498 296 C N 3.962 123.307 119.300 0.075 0.000 2.518 296 C HA 0.281 4.740 4.460 -0.000 0.000 0.456 296 C C 1.805 176.837 174.990 0.070 0.000 1.016 296 C CA -0.642 58.427 59.018 0.085 0.000 1.210 296 C CB -2.344 25.454 27.740 0.097 0.000 1.542 296 C HN 1.032 nan 8.230 nan 0.000 0.545 297 T N -2.157 112.436 114.554 0.065 0.000 3.016 297 T HA 0.075 4.425 4.350 -0.000 0.000 0.271 297 T C 1.805 176.541 174.700 0.060 0.000 0.968 297 T CA -0.268 61.865 62.100 0.056 0.000 0.891 297 T CB 0.100 68.992 68.868 0.040 0.000 1.149 297 T HN 0.433 nan 8.240 nan 0.000 0.524 298 R N 2.652 123.191 120.500 0.064 0.000 2.066 298 R HA 0.025 4.365 4.340 -0.000 0.000 0.232 298 R C 1.772 178.110 176.300 0.064 0.000 1.131 298 R CA 1.815 57.948 56.100 0.055 0.000 0.955 298 R CB -1.082 29.247 30.300 0.048 0.000 0.851 298 R HN 0.609 nan 8.270 nan 0.000 0.432 299 T N -1.206 113.404 114.554 0.093 0.000 3.316 299 T HA 0.362 4.712 4.350 -0.000 0.000 0.253 299 T C 0.973 175.775 174.700 0.170 0.000 0.995 299 T CA -0.527 61.630 62.100 0.094 0.000 1.031 299 T CB -0.740 68.153 68.868 0.043 0.000 1.125 299 T HN 0.286 nan 8.240 nan 0.000 0.539 300 I N -2.582 118.076 120.570 0.147 0.000 3.856 300 I HA 0.620 4.789 4.170 -0.000 0.000 0.330 300 I C 1.134 177.333 176.117 0.136 0.000 1.546 300 I CA -0.920 60.461 61.300 0.135 0.000 1.132 300 I CB -0.350 37.679 38.000 0.048 0.000 1.157 300 I HN 0.322 nan 8.210 nan 0.000 0.440 301 G N 2.229 111.104 108.800 0.126 0.000 2.295 301 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.287 301 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.287 301 G C 0.556 175.539 174.900 0.139 0.000 1.055 301 G CA 0.608 45.785 45.100 0.128 0.000 0.922 301 G HN 0.530 nan 8.290 nan 0.000 0.503 302 L N -0.627 120.651 121.223 0.092 0.000 2.093 302 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 302 L C 2.854 179.687 176.870 -0.062 0.000 1.085 302 L CA 1.980 56.816 54.840 -0.006 0.000 0.755 302 L CB -0.363 41.687 42.059 -0.015 0.000 0.904 302 L HN 0.517 nan 8.230 nan 0.000 0.435 303 E N -0.349 119.839 120.200 -0.020 0.000 2.130 303 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 303 E C 1.907 178.488 176.600 -0.032 0.000 0.998 303 E CA 1.825 58.210 56.400 -0.025 0.000 0.806 303 E CB -1.283 28.414 29.700 -0.005 0.000 0.738 303 E HN 0.518 nan 8.360 nan 0.000 0.459 304 T N -1.702 112.843 114.554 -0.016 0.000 3.113 304 T HA 0.005 4.355 4.350 -0.000 0.000 0.263 304 T C 1.428 176.100 174.700 -0.047 0.000 1.143 304 T CA 0.962 63.060 62.100 -0.004 0.000 1.090 304 T CB -0.206 68.689 68.868 0.044 0.000 0.922 304 T HN 0.129 nan 8.240 nan 0.000 0.521 305 V N -1.252 118.573 119.914 -0.148 0.000 3.604 305 V HA 0.584 4.704 4.120 -0.000 0.000 0.277 305 V C 1.877 177.871 176.094 -0.166 0.000 1.399 305 V CA -0.146 62.025 62.300 -0.214 0.000 1.034 305 V CB -0.338 31.136 31.823 -0.582 0.000 0.824 305 V HN 0.616 nan 8.190 nan 0.000 0.439 306 G N 1.057 109.774 108.800 -0.139 0.000 2.132 306 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.228 306 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.228 306 G C 0.039 174.860 174.900 -0.132 0.000 1.000 306 G CA 0.061 45.100 45.100 -0.101 0.000 0.693 306 G HN 0.429 nan 8.290 nan 0.000 0.515 307 V N 1.799 121.604 119.914 -0.181 0.000 2.455 307 V HA 0.307 4.427 4.120 -0.000 0.000 0.273 307 V C 0.897 176.926 176.094 -0.108 0.000 1.045 307 V CA -0.152 62.042 62.300 -0.176 0.000 0.976 307 V CB 1.220 32.910 31.823 -0.223 0.000 0.993 307 V HN 0.317 nan 8.190 nan 0.000 0.475 308 K N 6.500 126.846 120.400 -0.089 0.000 2.144 308 K HA 0.691 5.010 4.320 -0.000 0.000 0.270 308 K C -0.456 176.113 176.600 -0.051 0.000 1.005 308 K CA -0.356 55.895 56.287 -0.060 0.000 0.932 308 K CB 1.711 34.180 32.500 -0.051 0.000 1.021 308 K HN 0.730 nan 8.250 nan 0.000 0.462 309 I N -1.620 118.930 120.570 -0.034 0.000 2.913 309 I HA 0.263 4.433 4.170 -0.000 0.000 0.302 309 I C -0.996 175.112 176.117 -0.015 0.000 1.246 309 I CA -1.163 60.123 61.300 -0.024 0.000 1.010 309 I CB 2.081 40.072 38.000 -0.016 0.000 1.259 309 I HN 0.462 nan 8.210 nan 0.000 0.434 310 N N 3.689 122.383 118.700 -0.011 0.000 2.423 310 N HA 0.007 4.747 4.740 -0.000 0.000 0.275 310 N C 0.832 176.343 175.510 0.001 0.000 1.283 310 N CA -0.051 52.995 53.050 -0.006 0.000 0.932 310 N CB 0.654 39.139 38.487 -0.004 0.000 1.185 310 N HN 0.542 nan 8.380 nan 0.000 0.483 311 E N 2.389 122.589 120.200 0.000 0.000 2.338 311 E HA -0.207 4.143 4.350 -0.000 0.000 0.197 311 E C 1.183 177.789 176.600 0.009 0.000 1.007 311 E CA 0.837 57.240 56.400 0.004 0.000 0.849 311 E CB 0.110 29.811 29.700 0.002 0.000 0.774 311 E HN 0.627 nan 8.360 nan 0.000 0.506 312 K N 1.360 121.766 120.400 0.009 0.000 2.020 312 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 312 K C 0.806 177.417 176.600 0.019 0.000 1.038 312 K CA 1.277 57.572 56.287 0.013 0.000 0.947 312 K CB -0.264 32.243 32.500 0.012 0.000 0.744 312 K HN 0.055 nan 8.250 nan 0.000 0.442 313 T N -1.279 113.286 114.554 0.018 0.000 2.910 313 T HA 0.401 4.751 4.350 -0.000 0.000 0.323 313 T C 0.929 175.643 174.700 0.023 0.000 1.091 313 T CA -0.409 61.706 62.100 0.024 0.000 0.960 313 T CB 0.944 69.827 68.868 0.024 0.000 1.024 313 T HN 0.338 nan 8.240 nan 0.000 0.509 314 G N 3.500 112.316 108.800 0.027 0.000 2.963 314 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.205 314 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.205 314 G C 0.698 175.611 174.900 0.021 0.000 1.167 314 G CA 0.030 45.145 45.100 0.025 0.000 0.785 314 G HN 0.617 nan 8.290 nan 0.000 0.566 315 K N 0.065 120.475 120.400 0.018 0.000 2.319 315 K HA 0.211 4.531 4.320 -0.000 0.000 0.265 315 K C 0.530 177.130 176.600 0.000 0.000 1.000 315 K CA -0.168 56.127 56.287 0.012 0.000 0.943 315 K CB 1.128 33.633 32.500 0.009 0.000 0.950 315 K HN 0.105 nan 8.250 nan 0.000 0.485 316 I N 4.593 125.161 120.570 -0.004 0.000 2.304 316 I HA 0.167 4.337 4.170 -0.000 0.000 0.291 316 I C -2.075 174.025 176.117 -0.029 0.000 1.018 316 I CA -2.334 58.955 61.300 -0.017 0.000 1.260 316 I CB 1.355 39.347 38.000 -0.015 0.000 1.390 316 I HN 0.169 nan 8.210 nan 0.000 0.475 317 P HA 0.275 nan 4.420 nan 0.000 0.272 317 P C -0.673 176.598 177.300 -0.049 0.000 1.223 317 P CA -0.154 62.920 63.100 -0.043 0.000 0.784 317 P CB 1.259 32.935 31.700 -0.041 0.000 0.923 318 V N 0.056 119.939 119.914 -0.051 0.000 3.225 318 V HA 0.332 4.452 4.120 -0.000 0.000 0.293 318 V C 0.037 176.110 176.094 -0.035 0.000 1.405 318 V CA -0.464 61.809 62.300 -0.044 0.000 1.038 318 V CB 2.272 34.079 31.823 -0.028 0.000 1.123 318 V HN 0.771 nan 8.190 nan 0.000 0.447 319 T N -0.306 114.237 114.554 -0.018 0.000 2.698 319 T HA 0.141 4.491 4.350 -0.000 0.000 0.295 319 T C 0.788 175.498 174.700 0.017 0.000 1.007 319 T CA 0.624 62.723 62.100 -0.002 0.000 0.980 319 T CB 0.449 69.325 68.868 0.013 0.000 1.036 319 T HN 0.914 nan 8.240 nan 0.000 0.526 320 D N -1.522 118.894 120.400 0.026 0.000 2.352 320 D HA -0.005 4.635 4.640 -0.000 0.000 0.232 320 D C 1.044 177.396 176.300 0.087 0.000 1.055 320 D CA 0.386 54.416 54.000 0.050 0.000 0.891 320 D CB -0.237 40.590 40.800 0.045 0.000 0.897 320 D HN 0.832 nan 8.370 nan 0.000 0.529 321 E N -0.376 119.878 120.200 0.090 0.000 2.583 321 E HA 0.058 4.408 4.350 -0.000 0.000 0.213 321 E C -0.354 176.350 176.600 0.172 0.000 0.989 321 E CA -0.092 56.375 56.400 0.112 0.000 0.991 321 E CB 0.302 30.068 29.700 0.110 0.000 1.040 321 E HN -0.062 nan 8.360 nan 0.000 0.481 322 E N 0.206 120.503 120.200 0.162 0.000 3.547 322 E HA -0.227 4.123 4.350 -0.000 0.000 0.309 322 E C -0.363 176.406 176.600 0.281 0.000 0.855 322 E CA 0.704 57.224 56.400 0.199 0.000 1.122 322 E CB -1.268 28.554 29.700 0.203 0.000 1.569 322 E HN 0.336 nan 8.360 nan 0.000 0.429 323 Q N 0.996 120.887 119.800 0.153 0.000 2.267 323 Q HA 0.368 4.708 4.340 -0.000 0.000 0.255 323 Q C 0.589 176.466 176.000 -0.205 0.000 0.923 323 Q CA 0.337 56.003 55.803 -0.228 0.000 0.925 323 Q CB 0.805 29.424 28.738 -0.199 0.000 1.195 323 Q HN 0.293 nan 8.270 nan 0.000 0.417 324 T N 0.503 114.879 114.554 -0.297 0.000 2.753 324 T HA 0.057 4.406 4.350 -0.000 0.000 0.309 324 T C 0.953 175.540 174.700 -0.189 0.000 1.043 324 T CA 0.278 62.257 62.100 -0.201 0.000 0.964 324 T CB 0.139 68.873 68.868 -0.224 0.000 1.206 324 T HN 0.820 nan 8.240 nan 0.000 0.528 325 N N -0.846 117.765 118.700 -0.148 0.000 2.381 325 N HA -0.005 4.735 4.740 -0.000 0.000 0.182 325 N C 0.092 175.528 175.510 -0.124 0.000 1.025 325 N CA 0.185 53.167 53.050 -0.113 0.000 0.888 325 N CB -0.298 38.136 38.487 -0.089 0.000 0.965 325 N HN 0.324 nan 8.380 nan 0.000 0.438 326 V N 2.043 121.844 119.914 -0.189 0.000 2.334 326 V HA 0.181 4.301 4.120 -0.000 0.000 0.267 326 V C -1.341 174.615 176.094 -0.229 0.000 1.040 326 V CA -1.522 60.663 62.300 -0.191 0.000 0.866 326 V CB 1.302 32.932 31.823 -0.321 0.000 1.019 326 V HN 0.001 nan 8.190 nan 0.000 0.468 327 P HA -0.220 nan 4.420 nan 0.000 0.220 327 P C 0.991 178.263 177.300 -0.048 0.000 1.155 327 P CA 1.829 64.909 63.100 -0.033 0.000 0.880 327 P CB -0.045 31.717 31.700 0.103 0.000 0.790 328 Y N -2.797 117.425 120.300 -0.129 0.000 2.468 328 Y HA 0.436 4.986 4.550 -0.000 0.000 0.268 328 Y C 0.386 176.252 175.900 -0.057 0.000 1.177 328 Y CA -1.250 56.822 58.100 -0.046 0.000 1.265 328 Y CB -0.865 37.593 38.460 -0.004 0.000 1.103 328 Y HN -0.146 nan 8.280 nan 0.000 0.522 329 I N 1.540 121.732 120.570 -0.631 0.000 2.389 329 I HA 0.309 4.479 4.170 -0.000 0.000 0.288 329 I C -1.270 174.586 176.117 -0.434 0.000 0.999 329 I CA -0.860 60.160 61.300 -0.467 0.000 1.129 329 I CB 1.117 38.742 38.000 -0.625 0.000 1.288 329 I HN -0.049 nan 8.210 nan 0.000 0.444 330 Y N 4.105 124.383 120.300 -0.036 0.000 2.549 330 Y HA 0.800 5.350 4.550 -0.000 0.000 0.339 330 Y C 0.322 176.226 175.900 0.007 0.000 1.053 330 Y CA -0.614 57.476 58.100 -0.016 0.000 1.105 330 Y CB 2.111 40.568 38.460 -0.004 0.000 1.258 330 Y HN 0.598 nan 8.280 nan 0.000 0.478 331 A N 1.976 124.901 122.820 0.176 0.000 2.532 331 A HA 0.879 5.199 4.320 -0.000 0.000 0.290 331 A C -1.746 175.903 177.584 0.109 0.000 1.143 331 A CA -0.765 51.339 52.037 0.111 0.000 0.728 331 A CB 1.873 20.907 19.000 0.057 0.000 1.317 331 A HN 0.758 nan 8.150 nan 0.000 0.414 332 I N -0.636 119.985 120.570 0.085 0.000 3.004 332 I HA 0.614 4.784 4.170 -0.000 0.000 0.305 332 I C 0.427 176.591 176.117 0.077 0.000 1.312 332 I CA 0.734 62.086 61.300 0.087 0.000 0.992 332 I CB 2.020 40.063 38.000 0.071 0.000 1.282 332 I HN 1.997 nan 8.210 nan 0.000 0.449 333 G N 5.264 114.122 108.800 0.097 0.000 2.525 333 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.248 333 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.248 333 G C 0.125 175.077 174.900 0.085 0.000 1.238 333 G CA 0.454 45.607 45.100 0.089 0.000 0.926 333 G HN 0.690 nan 8.290 nan 0.000 0.574 334 D N -0.085 120.361 120.400 0.077 0.000 2.133 334 D HA -0.105 4.535 4.640 -0.000 0.000 0.195 334 D C 2.586 178.922 176.300 0.060 0.000 0.997 334 D CA 1.432 55.478 54.000 0.076 0.000 0.840 334 D CB -0.177 40.672 40.800 0.082 0.000 0.947 334 D HN 0.328 nan 8.370 nan 0.000 0.452 335 I N 0.542 121.145 120.570 0.054 0.000 2.290 335 I HA -0.201 3.969 4.170 -0.000 0.000 0.253 335 I C 0.640 176.773 176.117 0.027 0.000 1.112 335 I CA 0.314 61.639 61.300 0.042 0.000 1.377 335 I CB -0.966 37.059 38.000 0.041 0.000 1.060 335 I HN 0.027 nan 8.210 nan 0.000 0.428 336 L N 1.308 122.546 121.223 0.024 0.000 2.513 336 L HA -0.020 4.320 4.340 -0.000 0.000 0.272 336 L C 1.003 177.856 176.870 -0.029 0.000 1.187 336 L CA 0.352 55.187 54.840 -0.008 0.000 0.895 336 L CB -0.622 41.425 42.059 -0.021 0.000 1.147 336 L HN 0.244 nan 8.230 nan 0.000 0.483 337 E N 2.595 122.772 120.200 -0.039 0.000 2.324 337 E HA 0.353 4.703 4.350 -0.000 0.000 0.271 337 E C 1.072 177.630 176.600 -0.070 0.000 1.028 337 E CA 0.622 56.998 56.400 -0.039 0.000 0.890 337 E CB 0.288 29.969 29.700 -0.032 0.000 1.004 337 E HN 0.801 nan 8.360 nan 0.000 0.431 338 G N 4.018 112.784 108.800 -0.057 0.000 2.225 338 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.254 338 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.254 338 G C 0.298 175.129 174.900 -0.115 0.000 0.988 338 G CA 0.435 45.488 45.100 -0.078 0.000 0.625 338 G HN 0.500 nan 8.290 nan 0.000 0.527 339 K N -0.365 119.954 120.400 -0.134 0.000 2.760 339 K HA 0.769 5.089 4.320 -0.000 0.000 0.285 339 K C 0.649 177.241 176.600 -0.013 0.000 1.016 339 K CA -0.502 55.683 56.287 -0.171 0.000 1.087 339 K CB 0.041 32.368 32.500 -0.288 0.000 1.427 339 K HN 0.162 nan 8.250 nan 0.000 0.524 340 L N 1.019 122.292 121.223 0.083 0.000 2.330 340 L HA 0.371 4.711 4.340 -0.000 0.000 0.271 340 L C 0.139 177.070 176.870 0.102 0.000 1.013 340 L CA -0.298 54.594 54.840 0.087 0.000 0.816 340 L CB 0.693 42.806 42.059 0.090 0.000 1.287 340 L HN 0.534 nan 8.230 nan 0.000 0.435 341 E N 2.929 123.189 120.200 0.099 0.000 1.964 341 E HA 0.462 4.811 4.350 -0.000 0.000 0.264 341 E C -1.003 175.665 176.600 0.114 0.000 1.120 341 E CA 0.001 56.472 56.400 0.117 0.000 1.061 341 E CB 0.332 30.122 29.700 0.149 0.000 1.190 341 E HN 0.331 nan 8.360 nan 0.000 0.459 342 L N 0.992 122.271 121.223 0.092 0.000 2.438 342 L HA 0.229 4.569 4.340 -0.000 0.000 0.270 342 L C 1.272 178.176 176.870 0.057 0.000 0.972 342 L CA -0.490 54.391 54.840 0.069 0.000 0.831 342 L CB 2.025 44.108 42.059 0.040 0.000 1.273 342 L HN 0.241 nan 8.230 nan 0.000 0.405 343 T N 2.148 116.734 114.554 0.054 0.000 2.570 343 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 343 T C -0.989 173.723 174.700 0.020 0.000 1.071 343 T CA 1.936 64.058 62.100 0.036 0.000 1.172 343 T CB -0.590 68.298 68.868 0.032 0.000 0.864 343 T HN 0.466 nan 8.240 nan 0.000 0.421 344 P HA -0.097 nan 4.420 nan 0.000 0.217 344 P C 1.736 179.020 177.300 -0.027 0.000 1.158 344 P CA 0.882 63.976 63.100 -0.009 0.000 0.887 344 P CB -0.313 31.378 31.700 -0.015 0.000 0.792 345 V N -0.044 119.857 119.914 -0.021 0.000 2.255 345 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 345 V C 2.482 178.565 176.094 -0.020 0.000 1.051 345 V CA 2.382 64.653 62.300 -0.048 0.000 1.018 345 V CB -1.802 30.030 31.823 0.016 0.000 0.641 345 V HN 0.117 nan 8.190 nan 0.000 0.445 346 A N 0.783 123.622 122.820 0.031 0.000 1.873 346 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 346 A C 2.240 179.830 177.584 0.009 0.000 1.193 346 A CA 2.391 54.451 52.037 0.039 0.000 0.629 346 A CB -0.753 18.274 19.000 0.044 0.000 0.826 346 A HN 0.693 nan 8.150 nan 0.000 0.447 347 I N -2.412 118.159 120.570 0.000 0.000 2.264 347 I HA -0.298 3.872 4.170 -0.000 0.000 0.248 347 I C 2.189 178.294 176.117 -0.020 0.000 1.111 347 I CA 2.230 63.528 61.300 -0.004 0.000 1.382 347 I CB -0.599 37.404 38.000 0.005 0.000 1.060 347 I HN 0.339 nan 8.210 nan 0.000 0.418 348 Q N 1.395 121.167 119.800 -0.047 0.000 2.050 348 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 348 Q C 2.541 178.496 176.000 -0.074 0.000 0.980 348 Q CA 1.997 57.756 55.803 -0.073 0.000 0.840 348 Q CB -0.294 28.369 28.738 -0.125 0.000 0.898 348 Q HN 0.750 nan 8.270 nan 0.000 0.424 349 A N 1.086 123.860 122.820 -0.076 0.000 1.849 349 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 349 A C 2.320 179.893 177.584 -0.019 0.000 1.202 349 A CA 2.203 54.219 52.037 -0.034 0.000 0.629 349 A CB -1.512 17.517 19.000 0.048 0.000 0.834 349 A HN 0.495 nan 8.150 nan 0.000 0.447 350 G N -0.957 107.840 108.800 -0.005 0.000 2.529 350 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.219 350 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.219 350 G C 1.760 176.652 174.900 -0.014 0.000 1.177 350 G CA 1.294 46.391 45.100 -0.006 0.000 0.773 350 G HN 0.563 nan 8.290 nan 0.000 0.573 351 R N -0.164 120.332 120.500 -0.007 0.000 2.103 351 R HA -0.048 4.292 4.340 -0.000 0.000 0.234 351 R C 2.742 179.037 176.300 -0.008 0.000 1.132 351 R CA 1.760 57.863 56.100 0.005 0.000 0.925 351 R CB -0.539 29.761 30.300 0.000 0.000 0.842 351 R HN 0.412 nan 8.270 nan 0.000 0.430 352 L N 0.977 122.181 121.223 -0.032 0.000 2.191 352 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 352 L C 2.427 179.247 176.870 -0.082 0.000 1.103 352 L CA 0.247 55.060 54.840 -0.045 0.000 0.769 352 L CB -0.460 41.566 42.059 -0.054 0.000 0.908 352 L HN 0.277 nan 8.230 nan 0.000 0.438 353 L N 0.622 121.786 121.223 -0.098 0.000 1.970 353 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 353 L C 2.710 179.428 176.870 -0.253 0.000 1.071 353 L CA 2.186 56.916 54.840 -0.184 0.000 0.751 353 L CB -1.025 40.922 42.059 -0.187 0.000 0.889 353 L HN 0.152 nan 8.230 nan 0.000 0.432 354 A N -1.157 121.564 122.820 -0.166 0.000 1.892 354 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 354 A C 2.193 179.650 177.584 -0.212 0.000 1.188 354 A CA 1.882 53.826 52.037 -0.155 0.000 0.631 354 A CB -0.740 18.311 19.000 0.086 0.000 0.822 354 A HN 0.642 nan 8.150 nan 0.000 0.447 355 Q N -0.419 119.324 119.800 -0.094 0.000 2.112 355 Q HA -0.184 4.156 4.340 -0.000 0.000 0.206 355 Q C 2.277 178.151 176.000 -0.211 0.000 0.987 355 Q CA 1.825 57.573 55.803 -0.092 0.000 0.858 355 Q CB -0.379 28.358 28.738 -0.001 0.000 0.905 355 Q HN 0.735 nan 8.270 nan 0.000 0.420 356 R N -0.331 120.040 120.500 -0.214 0.000 2.066 356 R HA -0.020 4.320 4.340 -0.000 0.000 0.232 356 R C 2.554 178.663 176.300 -0.317 0.000 1.131 356 R CA 0.853 56.823 56.100 -0.216 0.000 0.955 356 R CB -0.314 29.883 30.300 -0.173 0.000 0.851 356 R HN 0.211 nan 8.270 nan 0.000 0.432 357 L N -0.656 120.265 121.223 -0.503 0.000 1.970 357 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 357 L C 1.842 178.336 176.870 -0.626 0.000 1.071 357 L CA 1.534 55.942 54.840 -0.721 0.000 0.751 357 L CB -0.367 40.893 42.059 -1.330 0.000 0.889 357 L HN 0.247 nan 8.230 nan 0.000 0.432 358 Y N -1.474 118.588 120.300 -0.396 0.000 2.449 358 Y HA 0.228 4.778 4.550 -0.000 0.000 0.254 358 Y C 2.021 177.338 175.900 -0.972 0.000 1.140 358 Y CA 0.056 57.812 58.100 -0.573 0.000 1.272 358 Y CB -0.346 37.785 38.460 -0.549 0.000 1.114 358 Y HN 0.016 nan 8.280 nan 0.000 0.525 359 G N -0.954 107.374 108.800 -0.787 0.000 3.159 359 G HA2 0.342 4.302 3.960 -0.000 0.000 0.232 359 G HA3 0.342 4.302 3.960 -0.000 0.000 0.232 359 G C 1.113 175.911 174.900 -0.170 0.000 1.116 359 G CA 0.006 44.761 45.100 -0.575 0.000 0.767 359 G HN 0.403 nan 8.290 nan 0.000 0.547 360 G N 0.651 109.352 108.800 -0.165 0.000 2.371 360 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.299 360 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.299 360 G C 0.385 175.253 174.900 -0.054 0.000 1.014 360 G CA 0.795 45.847 45.100 -0.080 0.000 1.097 360 G HN 1.485 nan 8.290 nan 0.000 0.512 361 S N -1.658 114.000 115.700 -0.071 0.000 2.689 361 S HA 0.831 5.301 4.470 -0.000 0.000 0.306 361 S C 0.832 175.404 174.600 -0.045 0.000 1.104 361 S CA 0.469 58.644 58.200 -0.042 0.000 0.973 361 S CB 2.223 65.407 63.200 -0.026 0.000 1.121 361 S HN 1.068 nan 8.310 nan 0.000 0.523 362 T N -1.515 113.022 114.554 -0.029 0.000 3.132 362 T HA 0.305 4.655 4.350 -0.000 0.000 0.274 362 T C 0.033 174.721 174.700 -0.020 0.000 1.011 362 T CA -0.230 61.855 62.100 -0.024 0.000 0.899 362 T CB -0.375 68.484 68.868 -0.014 0.000 1.089 362 T HN 0.470 nan 8.240 nan 0.000 0.543 363 V N 2.817 122.716 119.914 -0.025 0.000 2.530 363 V HA 0.359 4.479 4.120 -0.000 0.000 0.282 363 V C 0.211 176.290 176.094 -0.025 0.000 1.048 363 V CA -0.672 61.614 62.300 -0.023 0.000 0.997 363 V CB 0.546 32.354 31.823 -0.025 0.000 0.987 363 V HN 0.413 nan 8.190 nan 0.000 0.477 364 K N 3.043 123.434 120.400 -0.015 0.000 2.245 364 K HA 0.621 4.941 4.320 -0.000 0.000 0.234 364 K C -0.529 176.054 176.600 -0.028 0.000 1.021 364 K CA -0.707 55.577 56.287 -0.004 0.000 0.898 364 K CB 1.545 34.065 32.500 0.033 0.000 1.163 364 K HN 0.647 nan 8.250 nan 0.000 0.459 365 C N 1.594 120.873 119.300 -0.036 0.000 2.415 365 C HA 0.189 4.649 4.460 -0.000 0.000 0.369 365 C C -0.180 174.695 174.990 -0.192 0.000 1.279 365 C CA -0.294 58.607 59.018 -0.194 0.000 1.886 365 C CB -0.601 26.929 27.740 -0.351 0.000 2.468 365 C HN 0.712 nan 8.230 nan 0.000 0.553 366 D N 4.143 124.420 120.400 -0.205 0.000 2.380 366 D HA 0.212 4.852 4.640 -0.000 0.000 0.230 366 D C -0.300 175.936 176.300 -0.106 0.000 1.154 366 D CA -0.182 53.775 54.000 -0.072 0.000 0.859 366 D CB 0.270 41.038 40.800 -0.053 0.000 1.045 366 D HN 0.692 nan 8.370 nan 0.000 0.495 367 Y N 1.499 121.791 120.300 -0.014 0.000 2.596 367 Y HA 0.200 4.750 4.550 -0.000 0.000 0.316 367 Y C 0.083 175.970 175.900 -0.022 0.000 1.156 367 Y CA -0.570 57.519 58.100 -0.018 0.000 1.300 367 Y CB 0.103 38.556 38.460 -0.013 0.000 1.130 367 Y HN 0.174 nan 8.280 nan 0.000 0.518 368 D N 0.721 121.178 120.400 0.095 0.000 2.198 368 D HA 0.144 4.784 4.640 -0.000 0.000 0.245 368 D C 0.098 176.405 176.300 0.013 0.000 1.079 368 D CA -0.105 53.926 54.000 0.052 0.000 0.854 368 D CB 0.608 41.434 40.800 0.043 0.000 1.148 368 D HN 0.100 nan 8.370 nan 0.000 0.456 369 N N 0.288 118.991 118.700 0.003 0.000 2.758 369 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 369 N C -0.194 175.285 175.510 -0.051 0.000 1.076 369 N CA 0.458 53.493 53.050 -0.025 0.000 0.696 369 N CB -1.522 36.953 38.487 -0.022 0.000 0.979 369 N HN 0.352 nan 8.380 nan 0.000 0.550 370 V N -1.585 118.301 119.914 -0.048 0.000 2.432 370 V HA 0.589 4.709 4.120 -0.000 0.000 0.275 370 V C -1.577 174.465 176.094 -0.086 0.000 1.043 370 V CA -1.534 60.727 62.300 -0.065 0.000 0.925 370 V CB 1.081 32.873 31.823 -0.051 0.000 0.985 370 V HN -0.107 nan 8.190 nan 0.000 0.466 371 P HA 0.268 nan 4.420 nan 0.000 0.270 371 P C -0.140 177.095 177.300 -0.109 0.000 1.216 371 P CA 0.499 63.526 63.100 -0.121 0.000 0.788 371 P CB 0.392 32.017 31.700 -0.126 0.000 0.883 372 T N -0.906 113.569 114.554 -0.132 0.000 2.893 372 T HA 0.588 4.938 4.350 -0.000 0.000 0.337 372 T C -1.702 172.882 174.700 -0.193 0.000 1.587 372 T CA -0.423 61.601 62.100 -0.126 0.000 1.066 372 T CB 0.967 69.768 68.868 -0.110 0.000 1.414 372 T HN 0.595 nan 8.240 nan 0.000 0.488 373 T N 0.303 114.714 114.554 -0.239 0.000 2.956 373 T HA 0.658 5.008 4.350 -0.000 0.000 0.312 373 T C -1.271 173.078 174.700 -0.585 0.000 1.151 373 T CA -0.627 61.216 62.100 -0.428 0.000 1.024 373 T CB 1.497 70.095 68.868 -0.450 0.000 1.140 373 T HN 0.837 nan 8.240 nan 0.000 0.473 374 V N 4.987 124.606 119.914 -0.492 0.000 2.394 374 V HA 0.614 4.734 4.120 -0.000 0.000 0.282 374 V C -0.723 175.125 176.094 -0.410 0.000 1.031 374 V CA -1.029 61.079 62.300 -0.320 0.000 0.881 374 V CB 0.400 32.151 31.823 -0.120 0.000 0.982 374 V HN 0.895 nan 8.190 nan 0.000 0.451 375 F N 5.327 125.266 119.950 -0.018 0.000 2.733 375 F HA 0.240 4.767 4.527 -0.000 0.000 0.344 375 F C 1.535 177.163 175.800 -0.287 0.000 1.179 375 F CA -0.283 57.587 58.000 -0.217 0.000 1.316 375 F CB -0.591 38.170 39.000 -0.398 0.000 1.577 375 F HN 0.638 nan 8.300 nan 0.000 0.591 376 T N -2.453 112.112 114.554 0.018 0.000 2.766 376 T HA 0.094 4.444 4.350 -0.000 0.000 0.295 376 T C -1.494 173.312 174.700 0.175 0.000 1.024 376 T CA -1.490 60.668 62.100 0.097 0.000 1.018 376 T CB 0.786 69.717 68.868 0.105 0.000 1.002 376 T HN -0.005 nan 8.240 nan 0.000 0.532 377 P HA -0.034 nan 4.420 nan 0.000 0.217 377 P C 0.379 177.842 177.300 0.273 0.000 1.151 377 P CA 0.793 64.092 63.100 0.332 0.000 0.849 377 P CB 0.092 31.969 31.700 0.295 0.000 0.787 378 L N 0.312 121.599 121.223 0.106 0.000 2.324 378 L HA 0.276 4.615 4.340 -0.000 0.000 0.274 378 L C -0.101 176.803 176.870 0.056 0.000 1.012 378 L CA -0.466 54.351 54.840 -0.039 0.000 0.859 378 L CB 0.250 41.922 42.059 -0.645 0.000 1.224 378 L HN -0.034 nan 8.230 nan 0.000 0.429 379 E N 3.512 123.806 120.200 0.157 0.000 2.438 379 E HA -0.023 4.327 4.350 -0.000 0.000 0.261 379 E C -1.430 175.262 176.600 0.153 0.000 1.103 379 E CA 0.511 56.983 56.400 0.120 0.000 0.959 379 E CB 0.702 30.494 29.700 0.155 0.000 0.958 379 E HN 0.409 nan 8.360 nan 0.000 0.447 380 Y N 0.185 120.439 120.300 -0.078 0.000 2.315 380 Y HA 0.465 5.015 4.550 -0.000 0.000 0.324 380 Y C -0.594 175.288 175.900 -0.030 0.000 1.062 380 Y CA -0.983 57.106 58.100 -0.017 0.000 1.159 380 Y CB 1.198 39.648 38.460 -0.016 0.000 1.145 380 Y HN 0.479 nan 8.280 nan 0.000 0.442 381 G N 3.428 112.191 108.800 -0.061 0.000 2.420 381 G HA2 0.656 4.616 3.960 -0.000 0.000 0.331 381 G HA3 0.656 4.616 3.960 -0.000 0.000 0.331 381 G C -1.209 173.552 174.900 -0.231 0.000 1.168 381 G CA -0.408 44.564 45.100 -0.214 0.000 0.936 381 G HN 1.234 nan 8.290 nan 0.000 0.479 382 C N -0.945 118.189 119.300 -0.278 0.000 3.284 382 C HA 0.814 5.274 4.460 -0.000 0.000 0.338 382 C C -0.753 174.124 174.990 -0.188 0.000 1.237 382 C CA -1.425 57.466 59.018 -0.212 0.000 1.276 382 C CB 0.991 28.536 27.740 -0.324 0.000 1.601 382 C HN 1.099 nan 8.230 nan 0.000 0.494 383 C N 2.757 121.960 119.300 -0.162 0.000 2.642 383 C HA 0.931 5.391 4.460 -0.000 0.000 0.344 383 C C 0.655 175.586 174.990 -0.098 0.000 1.110 383 C CA 1.979 60.914 59.018 -0.139 0.000 1.298 383 C CB 0.692 28.327 27.740 -0.176 0.000 1.827 383 C HN 3.054 nan 8.230 nan 0.000 0.467 384 G N 4.554 113.312 108.800 -0.070 0.000 2.512 384 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.210 384 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.210 384 G C -0.953 173.966 174.900 0.033 0.000 1.295 384 G CA -0.294 44.803 45.100 -0.004 0.000 0.934 384 G HN 1.101 nan 8.290 nan 0.000 0.554 385 L N 0.845 122.130 121.223 0.103 0.000 2.453 385 L HA 0.561 4.901 4.340 -0.000 0.000 0.261 385 L C 1.453 178.476 176.870 0.255 0.000 1.179 385 L CA 0.030 54.957 54.840 0.145 0.000 0.813 385 L CB 1.283 43.441 42.059 0.166 0.000 1.110 385 L HN 0.977 nan 8.230 nan 0.000 0.466 386 S N -0.485 115.347 115.700 0.219 0.000 2.585 386 S HA 0.158 4.628 4.470 -0.000 0.000 0.277 386 S C 0.777 175.450 174.600 0.121 0.000 1.241 386 S CA -0.645 57.693 58.200 0.229 0.000 1.041 386 S CB 1.591 64.892 63.200 0.168 0.000 0.987 386 S HN 0.775 nan 8.310 nan 0.000 0.512 387 E N 1.474 121.689 120.200 0.025 0.000 2.068 387 E HA -0.293 4.057 4.350 -0.000 0.000 0.207 387 E C 1.979 178.610 176.600 0.051 0.000 1.032 387 E CA 2.143 58.560 56.400 0.028 0.000 0.839 387 E CB -0.222 29.465 29.700 -0.022 0.000 0.758 387 E HN 0.914 nan 8.360 nan 0.000 0.457 388 E N 0.559 120.783 120.200 0.041 0.000 2.153 388 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 388 E C 1.946 178.586 176.600 0.066 0.000 0.988 388 E CA 1.303 57.731 56.400 0.047 0.000 0.811 388 E CB -0.261 29.462 29.700 0.037 0.000 0.746 388 E HN 0.039 nan 8.360 nan 0.000 0.466 389 K N 1.231 121.679 120.400 0.079 0.000 2.288 389 K HA 0.064 4.384 4.320 -0.000 0.000 0.201 389 K C 1.969 178.644 176.600 0.125 0.000 1.048 389 K CA 1.151 57.490 56.287 0.087 0.000 0.956 389 K CB -0.303 32.247 32.500 0.084 0.000 0.746 389 K HN 0.203 nan 8.250 nan 0.000 0.461 390 A N 0.185 123.093 122.820 0.147 0.000 1.897 390 A HA -0.060 4.260 4.320 -0.000 0.000 0.215 390 A C 2.169 179.886 177.584 0.222 0.000 1.181 390 A CA 1.474 53.642 52.037 0.218 0.000 0.620 390 A CB -0.885 18.207 19.000 0.153 0.000 0.821 390 A HN 0.225 nan 8.150 nan 0.000 0.443 391 V N -1.205 118.790 119.914 0.134 0.000 2.626 391 V HA -0.189 3.931 4.120 -0.000 0.000 0.252 391 V C 1.927 178.085 176.094 0.105 0.000 1.067 391 V CA 2.583 64.952 62.300 0.115 0.000 1.081 391 V CB -0.573 31.292 31.823 0.070 0.000 0.686 391 V HN 0.658 nan 8.190 nan 0.000 0.468 392 E N 0.775 121.028 120.200 0.089 0.000 2.046 392 E HA -0.259 4.091 4.350 -0.000 0.000 0.190 392 E C 2.291 178.914 176.600 0.038 0.000 0.982 392 E CA 1.576 58.008 56.400 0.055 0.000 0.800 392 E CB -0.097 29.629 29.700 0.043 0.000 0.756 392 E HN 0.744 nan 8.360 nan 0.000 0.449 393 K N -0.746 119.685 120.400 0.051 0.000 2.062 393 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 393 K C 1.435 177.934 176.600 -0.169 0.000 1.051 393 K CA 1.232 57.471 56.287 -0.081 0.000 0.941 393 K CB -0.012 32.419 32.500 -0.115 0.000 0.719 393 K HN 0.076 nan 8.250 nan 0.000 0.440 394 F N 0.047 120.011 119.950 0.023 0.000 2.704 394 F HA 0.326 4.853 4.527 -0.000 0.000 0.304 394 F C 0.396 176.208 175.800 0.020 0.000 1.094 394 F CA 0.324 58.337 58.000 0.023 0.000 1.275 394 F CB 1.411 40.428 39.000 0.028 0.000 1.073 394 F HN 0.175 nan 8.300 nan 0.000 0.586 395 G N 1.545 110.447 108.800 0.170 0.000 3.307 395 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.686 395 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.686 395 G C 0.530 175.487 174.900 0.095 0.000 0.983 395 G CA -0.136 45.027 45.100 0.104 0.000 0.804 395 G HN 0.103 nan 8.290 nan 0.000 0.531 396 E N 1.367 121.606 120.200 0.065 0.000 2.113 396 E HA -0.261 4.089 4.350 -0.000 0.000 0.210 396 E C 2.381 179.005 176.600 0.040 0.000 1.040 396 E CA 2.268 58.696 56.400 0.046 0.000 0.847 396 E CB -0.088 29.630 29.700 0.030 0.000 0.755 396 E HN 0.812 nan 8.360 nan 0.000 0.459 397 E N 0.211 120.434 120.200 0.038 0.000 2.187 397 E HA -0.202 4.148 4.350 -0.000 0.000 0.199 397 E C 1.321 177.942 176.600 0.035 0.000 1.004 397 E CA 1.053 57.471 56.400 0.030 0.000 0.813 397 E CB -0.526 29.192 29.700 0.029 0.000 0.736 397 E HN 0.376 nan 8.360 nan 0.000 0.468 398 N N 0.206 118.940 118.700 0.056 0.000 2.235 398 N HA 0.098 4.838 4.740 -0.000 0.000 0.209 398 N C -0.207 175.318 175.510 0.025 0.000 1.122 398 N CA -0.029 53.054 53.050 0.054 0.000 0.845 398 N CB 0.644 39.190 38.487 0.098 0.000 1.004 398 N HN 0.073 nan 8.380 nan 0.000 0.499 399 I N 1.042 121.624 120.570 0.021 0.000 2.412 399 I HA 0.222 4.391 4.170 -0.000 0.000 0.296 399 I C -0.093 176.022 176.117 -0.004 0.000 0.987 399 I CA -1.321 59.977 61.300 -0.002 0.000 1.180 399 I CB 1.855 39.863 38.000 0.013 0.000 1.340 399 I HN -0.128 nan 8.210 nan 0.000 0.455 400 E N 4.767 124.975 120.200 0.014 0.000 2.199 400 E HA 0.587 4.937 4.350 -0.000 0.000 0.265 400 E C -1.635 174.998 176.600 0.054 0.000 0.882 400 E CA -0.417 55.985 56.400 0.003 0.000 0.759 400 E CB 1.592 31.341 29.700 0.082 0.000 1.148 400 E HN 0.271 nan 8.360 nan 0.000 0.412 401 V N 6.106 125.974 119.914 -0.076 0.000 2.304 401 V HA 0.294 4.414 4.120 -0.000 0.000 0.278 401 V C -1.101 174.881 176.094 -0.186 0.000 1.018 401 V CA -0.631 61.642 62.300 -0.045 0.000 0.814 401 V CB 0.113 31.883 31.823 -0.087 0.000 1.021 401 V HN 0.622 nan 8.190 nan 0.000 0.440 402 Y N 5.264 125.474 120.300 -0.150 0.000 2.316 402 Y HA 0.567 5.117 4.550 -0.000 0.000 0.331 402 Y C 0.811 176.629 175.900 -0.136 0.000 1.083 402 Y CA -0.557 57.450 58.100 -0.156 0.000 1.206 402 Y CB 0.529 38.940 38.460 -0.081 0.000 1.195 402 Y HN 0.774 nan 8.280 nan 0.000 0.497 403 H N -0.920 118.127 119.070 -0.040 0.000 2.990 403 H HA 0.852 5.408 4.556 -0.000 0.000 0.336 403 H C -1.433 173.770 175.328 -0.208 0.000 1.306 403 H CA -1.180 54.731 56.048 -0.227 0.000 1.118 403 H CB 2.201 31.821 29.762 -0.237 0.000 1.856 403 H HN 0.528 nan 8.280 nan 0.000 0.538 404 S N 0.535 116.069 115.700 -0.276 0.000 2.578 404 S HA 0.454 4.924 4.470 -0.000 0.000 0.272 404 S C -1.947 172.564 174.600 -0.150 0.000 1.145 404 S CA -0.751 57.373 58.200 -0.125 0.000 0.835 404 S CB 1.229 64.388 63.200 -0.068 0.000 1.104 404 S HN 0.409 nan 8.310 nan 0.000 0.458 405 F N 2.480 122.387 119.950 -0.071 0.000 2.411 405 F HA 0.838 5.365 4.527 -0.000 0.000 0.324 405 F C 0.230 176.124 175.800 0.157 0.000 1.086 405 F CA -0.469 57.544 58.000 0.021 0.000 1.028 405 F CB 1.250 40.250 39.000 -0.001 0.000 1.284 405 F HN 0.629 nan 8.300 nan 0.000 0.501 406 F N -0.989 119.060 119.950 0.166 0.000 2.711 406 F HA 0.571 5.098 4.527 -0.000 0.000 0.313 406 F C -2.142 173.794 175.800 0.227 0.000 1.141 406 F CA -1.704 56.375 58.000 0.132 0.000 0.941 406 F CB 1.166 40.172 39.000 0.009 0.000 1.349 406 F HN 0.367 nan 8.300 nan 0.000 0.464 407 W N 3.872 125.228 121.300 0.093 0.000 2.521 407 W HA 0.649 5.309 4.660 -0.000 0.000 0.310 407 W C -3.022 173.471 176.519 -0.043 0.000 1.000 407 W CA -3.284 54.049 57.345 -0.020 0.000 1.353 407 W CB 1.263 30.774 29.460 0.085 0.000 1.276 407 W HN 0.342 nan 8.180 nan 0.000 0.417 408 P HA -0.097 nan 4.420 nan 0.000 0.262 408 P C 1.118 178.188 177.300 -0.382 0.000 1.199 408 P CA 0.019 62.877 63.100 -0.404 0.000 0.763 408 P CB 0.627 31.702 31.700 -1.042 0.000 0.790 409 L N 4.652 125.751 121.223 -0.207 0.000 2.064 409 L HA -0.273 4.067 4.340 -0.000 0.000 0.216 409 L C 1.658 178.459 176.870 -0.115 0.000 1.077 409 L CA 2.115 56.844 54.840 -0.185 0.000 0.766 409 L CB -0.997 41.008 42.059 -0.088 0.000 0.890 409 L HN 0.281 nan 8.230 nan 0.000 0.435 410 E N -1.211 118.975 120.200 -0.023 0.000 2.209 410 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 410 E C 1.709 178.561 176.600 0.420 0.000 0.993 410 E CA 1.434 57.953 56.400 0.198 0.000 0.819 410 E CB -0.423 29.402 29.700 0.208 0.000 0.745 410 E HN 0.629 nan 8.360 nan 0.000 0.477 411 W N 0.462 121.732 121.300 -0.049 0.000 3.047 411 W HA 0.110 4.770 4.660 -0.000 0.000 0.250 411 W C 2.021 178.471 176.519 -0.115 0.000 1.314 411 W CA 1.014 58.364 57.345 0.008 0.000 1.540 411 W CB -1.190 28.358 29.460 0.147 0.000 1.127 411 W HN 0.177 nan 8.180 nan 0.000 0.679 412 T N -2.603 111.824 114.554 -0.212 0.000 2.732 412 T HA -0.153 4.197 4.350 -0.000 0.000 0.261 412 T C 1.929 176.580 174.700 -0.080 0.000 1.040 412 T CA 1.625 63.495 62.100 -0.382 0.000 1.145 412 T CB -0.841 67.670 68.868 -0.594 0.000 0.866 412 T HN -0.121 nan 8.240 nan 0.000 0.427 413 V N 3.202 123.044 119.914 -0.120 0.000 2.282 413 V HA -0.087 4.033 4.120 -0.000 0.000 0.249 413 V C -0.016 175.983 176.094 -0.158 0.000 1.057 413 V CA 2.123 64.270 62.300 -0.255 0.000 1.032 413 V CB -1.530 29.868 31.823 -0.708 0.000 0.645 413 V HN 0.413 nan 8.190 nan 0.000 0.447 414 P HA -0.100 nan 4.420 nan 0.000 0.218 414 P C 0.785 178.144 177.300 0.097 0.000 1.148 414 P CA 1.493 64.629 63.100 0.060 0.000 0.822 414 P CB -0.100 31.686 31.700 0.143 0.000 0.784 415 S N -0.901 114.902 115.700 0.171 0.000 3.766 415 S HA -0.160 4.310 4.470 -0.000 0.000 0.416 415 S C 0.007 174.776 174.600 0.281 0.000 0.902 415 S CA 0.478 58.843 58.200 0.275 0.000 1.283 415 S CB -1.452 61.847 63.200 0.165 0.000 0.891 415 S HN 0.448 nan 8.310 nan 0.000 0.556 416 R N 0.172 120.906 120.500 0.391 0.000 2.739 416 R HA 0.707 5.047 4.340 -0.000 0.000 0.271 416 R C -0.683 175.843 176.300 0.378 0.000 1.010 416 R CA -0.566 55.685 56.100 0.252 0.000 0.897 416 R CB 0.406 30.751 30.300 0.074 0.000 1.236 416 R HN 0.028 nan 8.270 nan 0.000 0.466 417 D N 0.028 120.557 120.400 0.215 0.000 2.708 417 D HA -0.198 4.442 4.640 -0.000 0.000 0.236 417 D C -0.671 175.788 176.300 0.266 0.000 1.146 417 D CA 1.134 55.300 54.000 0.277 0.000 0.662 417 D CB -0.872 40.074 40.800 0.243 0.000 1.059 417 D HN 0.635 nan 8.370 nan 0.000 0.428 418 N N 1.486 120.086 118.700 -0.167 0.000 2.444 418 N HA 0.002 4.742 4.740 -0.000 0.000 0.255 418 N C 0.337 175.661 175.510 -0.309 0.000 1.255 418 N CA 0.123 52.684 53.050 -0.816 0.000 0.933 418 N CB 0.338 37.980 38.487 -1.407 0.000 1.143 418 N HN 0.060 nan 8.380 nan 0.000 0.453 419 N N 0.842 119.391 118.700 -0.252 0.000 2.686 419 N HA -0.195 4.545 4.740 -0.000 0.000 0.261 419 N C -0.406 175.271 175.510 0.278 0.000 1.001 419 N CA 0.534 53.584 53.050 -0.001 0.000 0.764 419 N CB -0.246 38.070 38.487 -0.285 0.000 0.898 419 N HN 0.622 nan 8.380 nan 0.000 0.544 420 K N -1.001 119.561 120.400 0.271 0.000 2.485 420 K HA 0.177 4.497 4.320 -0.000 0.000 0.200 420 K C 0.654 177.259 176.600 0.008 0.000 1.344 420 K CA 0.232 56.657 56.287 0.230 0.000 0.948 420 K CB -0.113 32.538 32.500 0.252 0.000 1.454 420 K HN 0.250 nan 8.250 nan 0.000 0.502 421 C N 2.932 122.127 119.300 -0.174 0.000 2.634 421 C HA 0.171 4.631 4.460 -0.000 0.000 0.418 421 C C 0.304 174.891 174.990 -0.670 0.000 1.373 421 C CA -0.063 58.593 59.018 -0.604 0.000 1.756 421 C CB -1.587 25.366 27.740 -1.313 0.000 2.589 421 C HN 0.348 nan 8.230 nan 0.000 0.602 422 Y N 1.545 121.545 120.300 -0.499 0.000 2.553 422 Y HA 0.690 5.240 4.550 -0.000 0.000 0.347 422 Y C -0.338 175.542 175.900 -0.034 0.000 1.019 422 Y CA -0.519 57.328 58.100 -0.421 0.000 1.032 422 Y CB 1.351 39.428 38.460 -0.638 0.000 1.284 422 Y HN 0.791 nan 8.280 nan 0.000 0.466 423 A N 5.052 127.478 122.820 -0.656 0.000 2.488 423 A HA 0.736 5.056 4.320 -0.000 0.000 0.298 423 A C -1.766 175.351 177.584 -0.777 0.000 1.044 423 A CA -0.794 50.912 52.037 -0.551 0.000 0.693 423 A CB 1.493 20.007 19.000 -0.811 0.000 1.272 423 A HN 0.787 nan 8.150 nan 0.000 0.402 424 K N 0.195 120.367 120.400 -0.380 0.000 2.533 424 K HA 0.857 5.177 4.320 -0.000 0.000 0.272 424 K C -1.965 174.630 176.600 -0.008 0.000 0.985 424 K CA -0.776 55.403 56.287 -0.181 0.000 0.876 424 K CB 2.338 34.843 32.500 0.007 0.000 1.452 424 K HN 0.553 nan 8.250 nan 0.000 0.439 425 V N 2.644 122.593 119.914 0.059 0.000 2.733 425 V HA 0.426 4.546 4.120 -0.000 0.000 0.306 425 V C -0.873 175.307 176.094 0.144 0.000 1.084 425 V CA -0.765 61.605 62.300 0.117 0.000 0.905 425 V CB 1.801 33.685 31.823 0.102 0.000 1.010 425 V HN 0.796 nan 8.190 nan 0.000 0.424 426 I N 1.992 122.656 120.570 0.156 0.000 2.377 426 I HA 0.811 4.981 4.170 -0.000 0.000 0.293 426 I C -0.489 175.664 176.117 0.059 0.000 0.987 426 I CA -0.097 61.272 61.300 0.114 0.000 1.185 426 I CB 1.428 39.497 38.000 0.114 0.000 1.341 426 I HN 0.462 nan 8.210 nan 0.000 0.455 427 C N 4.279 123.605 119.300 0.043 0.000 2.614 427 C HA 0.480 4.940 4.460 -0.000 0.000 0.320 427 C C 0.141 175.063 174.990 -0.113 0.000 1.200 427 C CA -0.515 58.486 59.018 -0.027 0.000 1.700 427 C CB 1.366 29.120 27.740 0.023 0.000 2.275 427 C HN 0.845 nan 8.230 nan 0.000 0.492 428 N N 1.579 120.148 118.700 -0.218 0.000 2.558 428 N HA 0.271 5.011 4.740 -0.000 0.000 0.233 428 N C 0.614 176.046 175.510 -0.129 0.000 1.038 428 N CA -0.298 52.557 53.050 -0.325 0.000 0.934 428 N CB 0.179 38.236 38.487 -0.717 0.000 1.175 428 N HN 0.662 nan 8.380 nan 0.000 0.512 429 L N 2.273 123.462 121.223 -0.056 0.000 2.189 429 L HA -0.128 4.212 4.340 -0.000 0.000 0.214 429 L C 1.846 178.723 176.870 0.011 0.000 1.097 429 L CA 1.113 55.952 54.840 -0.002 0.000 0.764 429 L CB -0.082 41.987 42.059 0.016 0.000 0.900 429 L HN 0.530 nan 8.230 nan 0.000 0.436 430 K N -0.796 119.618 120.400 0.023 0.000 2.505 430 K HA -0.061 4.259 4.320 -0.000 0.000 0.192 430 K C 0.044 176.676 176.600 0.053 0.000 1.025 430 K CA 0.234 56.556 56.287 0.057 0.000 1.086 430 K CB 0.142 32.708 32.500 0.110 0.000 0.840 430 K HN 0.051 nan 8.250 nan 0.000 0.514 431 D N 0.051 120.461 120.400 0.016 0.000 2.849 431 D HA 0.096 4.736 4.640 -0.000 0.000 0.314 431 D C -1.004 175.293 176.300 -0.004 0.000 1.210 431 D CA -0.267 53.744 54.000 0.018 0.000 0.756 431 D CB -0.466 40.354 40.800 0.033 0.000 1.222 431 D HN -0.008 nan 8.370 nan 0.000 0.521 432 N N 1.777 120.478 118.700 0.002 0.000 2.708 432 N HA -0.238 4.502 4.740 -0.000 0.000 0.251 432 N C -0.634 174.867 175.510 -0.017 0.000 1.123 432 N CA 1.234 54.282 53.050 -0.004 0.000 0.739 432 N CB -0.999 37.484 38.487 -0.005 0.000 1.113 432 N HN 0.556 nan 8.380 nan 0.000 0.561 433 E N -2.561 117.626 120.200 -0.022 0.000 2.389 433 E HA -0.324 4.026 4.350 -0.000 0.000 0.243 433 E C -0.007 176.559 176.600 -0.056 0.000 1.154 433 E CA 0.619 56.999 56.400 -0.034 0.000 0.723 433 E CB -0.863 28.825 29.700 -0.021 0.000 1.261 433 E HN 0.467 nan 8.360 nan 0.000 0.390 434 R N 0.741 121.203 120.500 -0.063 0.000 2.484 434 R HA 0.105 4.445 4.340 -0.000 0.000 0.293 434 R C -0.390 175.871 176.300 -0.065 0.000 1.023 434 R CA 0.088 56.156 56.100 -0.054 0.000 1.037 434 R CB 0.649 30.922 30.300 -0.045 0.000 0.951 434 R HN 0.047 nan 8.270 nan 0.000 0.418 435 V N 7.350 127.248 119.914 -0.026 0.000 2.421 435 V HA 0.015 4.135 4.120 -0.000 0.000 0.271 435 V C 1.069 177.173 176.094 0.016 0.000 1.031 435 V CA 0.378 62.682 62.300 0.008 0.000 1.032 435 V CB 0.757 32.618 31.823 0.063 0.000 1.009 435 V HN 0.814 nan 8.190 nan 0.000 0.477 436 V N 1.939 121.853 119.914 0.000 0.000 3.528 436 V HA 0.650 4.770 4.120 -0.000 0.000 0.294 436 V C 0.702 176.845 176.094 0.082 0.000 1.404 436 V CA 0.539 62.850 62.300 0.019 0.000 1.065 436 V CB 0.270 32.060 31.823 -0.056 0.000 0.904 436 V HN 0.775 nan 8.190 nan 0.000 0.435 437 G N -0.037 108.836 108.800 0.122 0.000 2.682 437 G HA2 0.632 4.592 3.960 -0.000 0.000 0.300 437 G HA3 0.632 4.592 3.960 -0.000 0.000 0.300 437 G C -2.019 173.014 174.900 0.222 0.000 1.391 437 G CA -0.652 44.568 45.100 0.199 0.000 0.990 437 G HN 0.210 nan 8.290 nan 0.000 0.501 438 F N 2.009 121.868 119.950 -0.152 0.000 2.562 438 F HA 0.687 5.214 4.527 -0.000 0.000 0.319 438 F C -1.255 174.304 175.800 -0.402 0.000 1.154 438 F CA -0.780 57.127 58.000 -0.156 0.000 0.931 438 F CB 1.861 40.723 39.000 -0.230 0.000 1.198 438 F HN 0.535 nan 8.300 nan 0.000 0.444 439 H N 4.054 122.966 119.070 -0.262 0.000 2.759 439 H HA 0.706 5.262 4.556 -0.000 0.000 0.354 439 H C -1.423 173.926 175.328 0.034 0.000 1.074 439 H CA -0.941 55.153 56.048 0.077 0.000 1.226 439 H CB 2.206 32.124 29.762 0.261 0.000 1.648 439 H HN 0.539 nan 8.280 nan 0.000 0.529 440 V N 4.227 124.345 119.914 0.340 0.000 2.760 440 V HA 0.480 4.600 4.120 -0.000 0.000 0.309 440 V C -1.647 174.709 176.094 0.437 0.000 1.077 440 V CA -0.783 61.733 62.300 0.359 0.000 0.910 440 V CB 1.875 33.923 31.823 0.374 0.000 1.008 440 V HN 0.618 nan 8.190 nan 0.000 0.424 441 L N 7.080 128.506 121.223 0.338 0.000 2.408 441 L HA 0.982 5.322 4.340 -0.000 0.000 0.257 441 L C 0.043 176.997 176.870 0.139 0.000 1.053 441 L CA 0.972 55.942 54.840 0.216 0.000 0.922 441 L CB 0.701 42.794 42.059 0.057 0.000 1.261 441 L HN 0.955 nan 8.230 nan 0.000 0.458 442 G N 2.841 111.762 108.800 0.202 0.000 2.554 442 G HA2 0.447 4.407 3.960 -0.000 0.000 0.306 442 G HA3 0.447 4.407 3.960 -0.000 0.000 0.306 442 G C -3.291 171.741 174.900 0.221 0.000 1.320 442 G CA -0.923 44.276 45.100 0.164 0.000 0.800 442 G HN 0.133 nan 8.290 nan 0.000 0.481 443 P HA 0.121 nan 4.420 nan 0.000 0.267 443 P C -0.073 177.364 177.300 0.229 0.000 1.201 443 P CA 0.204 63.457 63.100 0.255 0.000 0.775 443 P CB 0.259 32.087 31.700 0.214 0.000 0.854 444 N N 0.184 119.027 118.700 0.239 0.000 2.686 444 N HA -0.276 4.464 4.740 -0.000 0.000 0.249 444 N C 1.105 176.730 175.510 0.193 0.000 1.082 444 N CA 1.023 54.200 53.050 0.212 0.000 0.725 444 N CB -1.375 37.209 38.487 0.162 0.000 1.009 444 N HN 0.510 nan 8.380 nan 0.000 0.545 445 A N 0.146 123.081 122.820 0.191 0.000 1.927 445 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 445 A C 2.363 180.008 177.584 0.102 0.000 1.185 445 A CA 2.457 54.585 52.037 0.153 0.000 0.639 445 A CB -1.026 18.042 19.000 0.113 0.000 0.820 445 A HN 0.540 nan 8.150 nan 0.000 0.451 446 G N -0.336 108.519 108.800 0.091 0.000 2.459 446 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 446 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 446 G C 1.318 176.266 174.900 0.080 0.000 1.183 446 G CA 0.974 46.120 45.100 0.078 0.000 0.776 446 G HN 0.587 nan 8.290 nan 0.000 0.552 447 E N 0.499 120.765 120.200 0.110 0.000 2.160 447 E HA -0.100 4.250 4.350 -0.000 0.000 0.195 447 E C 2.752 179.396 176.600 0.074 0.000 0.991 447 E CA 0.890 57.338 56.400 0.080 0.000 0.810 447 E CB -0.492 29.259 29.700 0.086 0.000 0.742 447 E HN 0.378 nan 8.360 nan 0.000 0.466 448 V N 1.380 121.357 119.914 0.105 0.000 2.283 448 V HA -0.180 3.940 4.120 -0.000 0.000 0.243 448 V C 2.380 178.527 176.094 0.088 0.000 1.039 448 V CA 2.057 64.437 62.300 0.133 0.000 1.016 448 V CB -0.774 31.155 31.823 0.177 0.000 0.650 448 V HN 0.257 nan 8.190 nan 0.000 0.449 449 T N -0.593 113.976 114.554 0.025 0.000 2.833 449 T HA -0.269 4.081 4.350 -0.000 0.000 0.269 449 T C 1.879 176.459 174.700 -0.200 0.000 1.054 449 T CA 1.779 63.783 62.100 -0.160 0.000 1.135 449 T CB -0.236 68.575 68.868 -0.096 0.000 0.869 449 T HN 0.429 nan 8.240 nan 0.000 0.466 450 Q N 1.312 121.052 119.800 -0.099 0.000 2.029 450 Q HA -0.103 4.237 4.340 -0.000 0.000 0.209 450 Q C 2.442 178.348 176.000 -0.156 0.000 0.999 450 Q CA 2.373 58.108 55.803 -0.112 0.000 0.857 450 Q CB -1.172 27.527 28.738 -0.064 0.000 0.926 450 Q HN 0.490 nan 8.270 nan 0.000 0.415 451 G N -0.734 107.977 108.800 -0.149 0.000 2.529 451 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.219 451 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.219 451 G C 1.155 175.826 174.900 -0.382 0.000 1.177 451 G CA 1.104 46.051 45.100 -0.255 0.000 0.773 451 G HN 0.438 nan 8.290 nan 0.000 0.573 452 F N 1.863 121.531 119.950 -0.470 0.000 2.202 452 F HA 0.011 4.538 4.527 -0.000 0.000 0.301 452 F C 3.043 178.545 175.800 -0.496 0.000 1.082 452 F CA 0.863 58.504 58.000 -0.599 0.000 1.313 452 F CB -0.437 37.832 39.000 -1.218 0.000 1.024 452 F HN 0.254 nan 8.300 nan 0.000 0.495 453 A N 0.096 122.729 122.820 -0.311 0.000 1.933 453 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 453 A C 2.449 179.930 177.584 -0.172 0.000 1.175 453 A CA 1.746 53.645 52.037 -0.230 0.000 0.628 453 A CB -1.242 17.639 19.000 -0.198 0.000 0.814 453 A HN 0.316 nan 8.150 nan 0.000 0.444 454 A N -0.011 122.700 122.820 -0.181 0.000 1.877 454 A HA 0.137 4.457 4.320 -0.000 0.000 0.216 454 A C 2.551 180.049 177.584 -0.144 0.000 1.186 454 A CA 2.235 54.182 52.037 -0.150 0.000 0.620 454 A CB -1.202 17.704 19.000 -0.156 0.000 0.822 454 A HN 1.146 nan 8.150 nan 0.000 0.443 455 A N -0.038 122.669 122.820 -0.187 0.000 1.903 455 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 455 A C 2.176 179.703 177.584 -0.095 0.000 1.191 455 A CA 1.790 53.734 52.037 -0.156 0.000 0.638 455 A CB -0.826 18.051 19.000 -0.204 0.000 0.823 455 A HN 0.516 nan 8.150 nan 0.000 0.451 456 L N -0.961 120.208 121.223 -0.089 0.000 2.079 456 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 456 L C 2.337 179.179 176.870 -0.047 0.000 1.081 456 L CA 1.380 56.190 54.840 -0.051 0.000 0.752 456 L CB -0.503 41.527 42.059 -0.048 0.000 0.896 456 L HN 0.224 nan 8.230 nan 0.000 0.433 457 K N -0.230 120.132 120.400 -0.063 0.000 2.442 457 K HA -0.097 4.223 4.320 -0.000 0.000 0.199 457 K C 1.322 177.895 176.600 -0.045 0.000 1.044 457 K CA 0.809 57.064 56.287 -0.052 0.000 0.941 457 K CB -0.479 31.983 32.500 -0.064 0.000 0.759 457 K HN 0.421 nan 8.250 nan 0.000 0.472 458 C N 0.324 119.594 119.300 -0.050 0.000 2.760 458 C HA 0.333 4.793 4.460 -0.000 0.000 0.293 458 C C 1.015 175.987 174.990 -0.031 0.000 1.383 458 C CA -0.511 58.482 59.018 -0.043 0.000 1.771 458 C CB -0.740 26.967 27.740 -0.055 0.000 2.353 458 C HN 0.573 nan 8.230 nan 0.000 0.578 459 G N 1.782 110.568 108.800 -0.023 0.000 2.295 459 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.287 459 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.287 459 G C -0.046 174.845 174.900 -0.014 0.000 1.055 459 G CA 0.230 45.323 45.100 -0.011 0.000 0.922 459 G HN 0.639 nan 8.290 nan 0.000 0.503 460 L N 1.641 122.854 121.223 -0.018 0.000 2.578 460 L HA 0.514 4.854 4.340 -0.000 0.000 0.279 460 L C 1.098 177.964 176.870 -0.006 0.000 1.227 460 L CA 1.220 56.052 54.840 -0.013 0.000 0.900 460 L CB 0.467 42.525 42.059 -0.001 0.000 1.144 460 L HN 0.675 nan 8.230 nan 0.000 0.496 461 T N 1.168 115.714 114.554 -0.014 0.000 2.940 461 T HA 0.383 4.732 4.350 -0.000 0.000 0.288 461 T C 0.828 175.504 174.700 -0.040 0.000 1.033 461 T CA -0.465 61.619 62.100 -0.026 0.000 1.033 461 T CB 1.586 70.439 68.868 -0.025 0.000 1.079 461 T HN 0.642 nan 8.240 nan 0.000 0.496 462 K N 0.961 121.315 120.400 -0.077 0.000 2.063 462 K HA -0.200 4.119 4.320 -0.000 0.000 0.208 462 K C 2.381 178.917 176.600 -0.107 0.000 1.048 462 K CA 2.445 58.645 56.287 -0.146 0.000 0.928 462 K CB -0.579 31.760 32.500 -0.268 0.000 0.713 462 K HN 0.829 nan 8.250 nan 0.000 0.442 463 Q N 0.218 119.978 119.800 -0.068 0.000 2.124 463 Q HA -0.233 4.107 4.340 -0.000 0.000 0.202 463 Q C 1.801 177.783 176.000 -0.029 0.000 0.977 463 Q CA 1.547 57.325 55.803 -0.042 0.000 0.850 463 Q CB -0.422 28.302 28.738 -0.024 0.000 0.901 463 Q HN 0.541 nan 8.270 nan 0.000 0.429 464 Q N 0.700 120.485 119.800 -0.026 0.000 2.046 464 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 464 Q C 2.341 178.336 176.000 -0.008 0.000 0.975 464 Q CA 1.301 57.093 55.803 -0.018 0.000 0.836 464 Q CB -0.369 28.356 28.738 -0.021 0.000 0.896 464 Q HN 0.326 nan 8.270 nan 0.000 0.428 465 L N 2.226 123.451 121.223 0.003 0.000 1.990 465 L HA -0.234 4.106 4.340 -0.000 0.000 0.213 465 L C 1.693 178.585 176.870 0.037 0.000 1.072 465 L CA 2.108 56.977 54.840 0.049 0.000 0.755 465 L CB -0.669 41.444 42.059 0.089 0.000 0.889 465 L HN 0.105 nan 8.230 nan 0.000 0.432 466 D N -0.586 119.812 120.400 -0.004 0.000 2.149 466 D HA -0.185 4.455 4.640 -0.000 0.000 0.198 466 D C 2.331 178.634 176.300 0.005 0.000 0.990 466 D CA 1.711 55.709 54.000 -0.003 0.000 0.839 466 D CB -0.222 40.564 40.800 -0.022 0.000 0.948 466 D HN 0.644 nan 8.370 nan 0.000 0.460 467 S N -0.266 115.433 115.700 -0.001 0.000 2.474 467 S HA -0.062 4.407 4.470 -0.000 0.000 0.235 467 S C 1.091 175.691 174.600 -0.001 0.000 0.997 467 S CA 0.357 58.555 58.200 -0.003 0.000 0.949 467 S CB -0.409 62.786 63.200 -0.009 0.000 0.766 467 S HN 0.022 nan 8.310 nan 0.000 0.517 468 T N 2.295 116.853 114.554 0.005 0.000 2.899 468 T HA 0.518 4.868 4.350 -0.000 0.000 0.295 468 T C -0.022 174.688 174.700 0.016 0.000 1.033 468 T CA -0.328 61.774 62.100 0.003 0.000 1.084 468 T CB 0.869 69.739 68.868 0.002 0.000 0.979 468 T HN 0.209 nan 8.240 nan 0.000 0.532 469 I N 0.772 121.349 120.570 0.011 0.000 2.577 469 I HA 0.547 4.717 4.170 -0.000 0.000 0.305 469 I C 0.993 177.128 176.117 0.030 0.000 0.986 469 I CA -0.403 60.907 61.300 0.017 0.000 1.189 469 I CB 1.427 39.432 38.000 0.009 0.000 1.355 469 I HN 0.730 nan 8.210 nan 0.000 0.476 470 G N 4.760 113.581 108.800 0.035 0.000 2.451 470 G HA2 0.614 4.574 3.960 -0.000 0.000 0.303 470 G HA3 0.614 4.574 3.960 -0.000 0.000 0.303 470 G C -0.612 174.327 174.900 0.065 0.000 1.166 470 G CA -0.554 44.579 45.100 0.056 0.000 0.884 470 G HN 0.452 nan 8.290 nan 0.000 0.514 471 I N 0.592 121.210 120.570 0.080 0.000 2.353 471 I HA 0.265 4.435 4.170 -0.000 0.000 0.293 471 I C -0.306 175.896 176.117 0.140 0.000 0.992 471 I CA -0.628 60.723 61.300 0.085 0.000 1.268 471 I CB 1.535 39.569 38.000 0.058 0.000 1.387 471 I HN 0.499 nan 8.210 nan 0.000 0.478 472 H N 7.448 126.524 119.070 0.010 0.000 2.600 472 H HA 0.628 5.184 4.556 -0.000 0.000 0.357 472 H C -2.673 172.660 175.328 0.007 0.000 1.106 472 H CA -1.961 54.092 56.048 0.008 0.000 1.193 472 H CB 1.874 31.641 29.762 0.008 0.000 1.594 472 H HN 0.296 nan 8.280 nan 0.000 0.526 473 P HA 0.489 nan 4.420 nan 0.000 0.304 473 P C -1.453 175.822 177.300 -0.043 0.000 1.360 473 P CA -0.683 62.252 63.100 -0.276 0.000 0.869 473 P CB 1.826 33.250 31.700 -0.461 0.000 0.988 474 V N 2.168 122.117 119.914 0.058 0.000 2.969 474 V HA 0.041 4.161 4.120 -0.000 0.000 0.304 474 V C 1.097 177.208 176.094 0.028 0.000 1.192 474 V CA -0.576 61.746 62.300 0.036 0.000 0.962 474 V CB 1.750 33.600 31.823 0.046 0.000 1.045 474 V HN 0.710 nan 8.190 nan 0.000 0.428 475 C N 2.316 121.625 119.300 0.015 0.000 2.413 475 C HA -0.149 4.311 4.460 -0.000 0.000 0.277 475 C C 2.828 177.711 174.990 -0.179 0.000 1.228 475 C CA 1.488 60.465 59.018 -0.068 0.000 1.731 475 C CB -1.122 26.669 27.740 0.084 0.000 2.042 475 C HN 1.073 nan 8.230 nan 0.000 0.468 476 A N 1.648 124.471 122.820 0.005 0.000 2.093 476 A HA -0.269 4.051 4.320 -0.000 0.000 0.222 476 A C 2.030 179.707 177.584 0.156 0.000 1.162 476 A CA 2.091 54.208 52.037 0.132 0.000 0.655 476 A CB -0.804 18.335 19.000 0.232 0.000 0.805 476 A HN 0.874 nan 8.150 nan 0.000 0.461 477 E N 0.439 120.670 120.200 0.053 0.000 2.209 477 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 477 E C 1.440 178.018 176.600 -0.038 0.000 0.993 477 E CA 1.417 57.850 56.400 0.056 0.000 0.819 477 E CB -0.866 28.865 29.700 0.051 0.000 0.745 477 E HN 0.707 nan 8.360 nan 0.000 0.477 478 I N -0.525 119.899 120.570 -0.243 0.000 2.657 478 I HA -0.159 4.011 4.170 -0.000 0.000 0.261 478 I C 1.595 177.500 176.117 -0.354 0.000 1.212 478 I CA 1.031 62.127 61.300 -0.341 0.000 1.453 478 I CB -0.763 36.900 38.000 -0.562 0.000 1.092 478 I HN -0.053 nan 8.210 nan 0.000 0.452 479 F N 1.531 121.381 119.950 -0.167 0.000 2.502 479 F HA -0.072 4.455 4.527 -0.000 0.000 0.298 479 F C 2.533 178.333 175.800 0.001 0.000 1.111 479 F CA 1.421 59.347 58.000 -0.124 0.000 1.445 479 F CB -0.741 38.139 39.000 -0.200 0.000 1.081 479 F HN 0.225 nan 8.300 nan 0.000 0.558 480 T N -4.204 110.444 114.554 0.157 0.000 3.129 480 T HA 0.008 4.358 4.350 -0.000 0.000 0.251 480 T C 0.977 175.700 174.700 0.039 0.000 1.117 480 T CA 0.979 63.150 62.100 0.118 0.000 1.034 480 T CB -0.596 68.331 68.868 0.099 0.000 0.968 480 T HN 0.202 nan 8.240 nan 0.000 0.526 481 T N -0.201 114.350 114.554 -0.004 0.000 3.748 481 T HA 0.411 4.761 4.350 -0.000 0.000 0.281 481 T C -0.081 174.608 174.700 -0.020 0.000 0.977 481 T CA -0.658 61.434 62.100 -0.014 0.000 1.056 481 T CB -0.647 68.206 68.868 -0.024 0.000 1.138 481 T HN 0.267 nan 8.240 nan 0.000 0.498 482 L N 3.044 124.253 121.223 -0.022 0.000 2.433 482 L HA 0.277 4.617 4.340 -0.000 0.000 0.284 482 L C 1.373 178.344 176.870 0.167 0.000 1.120 482 L CA -0.195 54.660 54.840 0.024 0.000 0.879 482 L CB 0.434 42.494 42.059 0.003 0.000 1.232 482 L HN 0.603 nan 8.230 nan 0.000 0.454 483 S N 1.229 117.011 115.700 0.137 0.000 2.514 483 S HA 0.104 4.574 4.470 -0.000 0.000 0.223 483 S C 0.545 175.207 174.600 0.103 0.000 1.046 483 S CA -0.330 57.965 58.200 0.158 0.000 0.914 483 S CB 0.374 63.622 63.200 0.080 0.000 0.807 483 S HN 0.247 nan 8.310 nan 0.000 0.497 484 V N 3.881 123.836 119.914 0.069 0.000 2.546 484 V HA 0.517 4.637 4.120 -0.000 0.000 0.284 484 V C 0.599 176.610 176.094 -0.139 0.000 1.050 484 V CA -0.277 62.025 62.300 0.004 0.000 0.981 484 V CB 1.102 32.973 31.823 0.080 0.000 0.990 484 V HN 0.632 nan 8.190 nan 0.000 0.474 485 T N 1.159 115.547 114.554 -0.278 0.000 2.902 485 T HA 0.371 4.721 4.350 -0.000 0.000 0.283 485 T C 0.819 175.298 174.700 -0.368 0.000 1.009 485 T CA -0.692 61.119 62.100 -0.482 0.000 1.051 485 T CB 1.635 70.150 68.868 -0.589 0.000 0.999 485 T HN 0.618 nan 8.240 nan 0.000 0.474 486 K N 0.952 121.043 120.400 -0.515 0.000 2.057 486 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 486 K C 2.340 178.853 176.600 -0.144 0.000 1.049 486 K CA 1.223 57.302 56.287 -0.346 0.000 0.931 486 K CB -0.150 32.156 32.500 -0.322 0.000 0.714 486 K HN 0.740 nan 8.250 nan 0.000 0.440 487 R N 0.129 120.530 120.500 -0.165 0.000 2.355 487 R HA -0.101 4.238 4.340 -0.000 0.000 0.219 487 R C 1.115 177.372 176.300 -0.072 0.000 1.107 487 R CA 1.864 57.904 56.100 -0.100 0.000 1.021 487 R CB 0.064 30.300 30.300 -0.107 0.000 0.852 487 R HN 0.303 nan 8.270 nan 0.000 0.475 488 S N -3.262 112.392 115.700 -0.076 0.000 3.364 488 S HA 0.149 4.619 4.470 -0.000 0.000 0.257 488 S C 1.953 176.539 174.600 -0.023 0.000 1.098 488 S CA 0.102 58.274 58.200 -0.047 0.000 0.888 488 S CB -0.743 62.422 63.200 -0.060 0.000 0.925 488 S HN 0.291 nan 8.310 nan 0.000 0.442 489 G N 2.812 111.594 108.800 -0.031 0.000 3.404 489 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.260 489 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.260 489 G C 1.598 176.523 174.900 0.043 0.000 1.060 489 G CA 2.213 47.323 45.100 0.016 0.000 0.752 489 G HN 1.821 nan 8.290 nan 0.000 0.717 490 G N -0.038 108.787 108.800 0.042 0.000 2.556 490 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.283 490 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.283 490 G C -0.108 174.817 174.900 0.041 0.000 1.177 490 G CA 0.791 45.910 45.100 0.031 0.000 0.978 490 G HN 1.031 nan 8.290 nan 0.000 0.554 491 D N 1.269 121.679 120.400 0.016 0.000 2.304 491 D HA 0.539 5.178 4.640 -0.000 0.000 0.250 491 D C 1.395 177.700 176.300 0.007 0.000 1.107 491 D CA 0.254 54.250 54.000 -0.007 0.000 0.885 491 D CB 0.398 41.181 40.800 -0.029 0.000 1.192 491 D HN 0.844 nan 8.370 nan 0.000 0.436 492 I N 0.480 121.038 120.570 -0.019 0.000 3.994 492 I HA 0.241 4.411 4.170 -0.000 0.000 0.323 492 I C -0.391 175.681 176.117 -0.075 0.000 1.501 492 I CA -0.414 60.895 61.300 0.015 0.000 1.112 492 I CB 0.134 38.179 38.000 0.076 0.000 1.254 492 I HN 0.043 nan 8.210 nan 0.000 0.495 493 L N 4.117 125.236 121.223 -0.173 0.000 2.407 493 L HA 0.177 4.516 4.340 -0.000 0.000 0.282 493 L C 0.640 177.427 176.870 -0.138 0.000 1.110 493 L CA -0.055 54.626 54.840 -0.264 0.000 0.863 493 L CB 0.351 42.242 42.059 -0.280 0.000 1.207 493 L HN 0.555 nan 8.230 nan 0.000 0.454 494 Q N 2.256 121.994 119.800 -0.103 0.000 2.374 494 Q HA -0.310 4.029 4.340 -0.000 0.000 0.281 494 Q C 0.364 176.358 176.000 -0.009 0.000 1.154 494 Q CA 0.781 56.559 55.803 -0.041 0.000 0.926 494 Q CB -2.107 26.574 28.738 -0.095 0.000 1.308 494 Q HN 0.942 nan 8.270 nan 0.000 0.520 495 S N 0.000 115.699 115.700 -0.001 0.000 2.498 495 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 495 S CA 0.000 58.204 58.200 0.007 0.000 1.107 495 S CB 0.000 63.216 63.200 0.027 0.000 0.593 495 S HN 0.000 nan 8.310 nan 0.000 0.517