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 3ala_1_F DATA FIRST_RESID 41 DATA SEQUENCE cXXXXXXXXX XXXXXXSQLF ADLSREELTA VMRFLTQRLG PGLVDAAQAR DATA SEQUENCE PSDNCVFSVE LQLPPKAAAL AHLDRGSPPP AREALAIVFF GRQPQPNVSE DATA SEQUENCE LVVGPLPHPS YMRDVTVERH GGPLPYHRRP VLFQEYLDID QMIFNRELPQ DATA SEQUENCE ASGLLHHCCF YKXXXRNLVT MTTAPRGLQS GDRATWFGLY YNISGAGFFL DATA SEQUENCE HHVGLELLVN HKALDPARWT IQKVFYQGRY YDSLAQLEAQ FEAGLVNVVL DATA SEQUENCE IPDNGTGGSW SLKSPVPPGP APPLQFYPQG PRFSVQGSRV ASSLWTFSFG DATA SEQUENCE LGAFSGPRIF DVRFQGERLV YEISLQEALA IYGGNSPAAM TTRYVDGGFG DATA SEQUENCE MGKYTTPLTR GVDcPYLATY VDWHFLLESQ APKTIRDAFc VFEQNQGLPL DATA SEQUENCE RRHHSDLYSH YFGGLAETVL VVRSMSTLLN XDYVWDTVFH PSGAIEIRFY DATA SEQUENCE ATGYISSAFL FXXTGKYGNQ VSEHTLGTVH THSAHFKVDL DVAGLENWVW DATA SEQUENCE AEDMVFVPMA VPWSPEHQLQ RLQVTRKLLE MEEQAAFLVG SATPRYLYLA DATA SEQUENCE SNHSNKWGHP RGYRIQMLSF AGEPLPQNSS MARGFSWERY QLAVTQRKEE DATA SEQUENCE EPSSSSVFNQ NDPWAPTVDF SDFINNETIA GKDLVAWVTA GFLHIPHAED DATA SEQUENCE IPNTVTVGNG VGFFLRPYNF FDEDPSFYSA DSIYFRGDQD AGAcEVNPLA DATA SEQUENCE cLPQAAAcAP DLPAFSHGGF S 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 41 c HA 0.000 nan 4.570 nan 0.000 0.325 41 c C 0.000 174.101 174.090 0.019 0.000 1.270 41 c CA 0.000 56.338 56.329 0.015 0.000 1.963 41 c CB 0.000 42.518 42.510 0.013 0.000 2.134 58 Q N 4.462 124.280 119.800 0.030 0.000 2.706 58 Q HA 0.317 4.658 4.340 0.001 0.000 0.250 58 Q C 0.500 176.459 176.000 -0.068 0.000 1.120 58 Q CA -0.269 55.538 55.803 0.007 0.000 0.972 58 Q CB 1.170 29.913 28.738 0.007 0.000 1.173 58 Q HN 0.742 nan 8.270 nan 0.000 0.522 59 L N -0.778 120.346 121.223 -0.166 0.000 2.638 59 L HA 0.300 4.641 4.340 0.001 0.000 0.232 59 L C 0.151 176.654 176.870 -0.612 0.000 1.099 59 L CA 0.326 54.931 54.840 -0.392 0.000 0.883 59 L CB 0.503 42.276 42.059 -0.478 0.000 1.136 59 L HN 0.329 nan 8.230 nan 0.000 0.492 60 F N 0.581 120.437 119.950 -0.156 0.000 2.729 60 F HA 0.450 4.977 4.527 0.001 0.000 0.315 60 F C 1.267 176.978 175.800 -0.148 0.000 1.102 60 F CA -0.406 57.418 58.000 -0.293 0.000 1.204 60 F CB 0.284 38.998 39.000 -0.477 0.000 1.052 60 F HN 0.023 nan 8.300 nan 0.000 0.551 61 A N 0.619 123.471 122.820 0.054 0.000 2.462 61 A HA 0.137 4.458 4.320 0.001 0.000 0.243 61 A C 0.127 177.758 177.584 0.079 0.000 1.076 61 A CA -0.372 51.705 52.037 0.066 0.000 0.773 61 A CB 0.021 19.043 19.000 0.036 0.000 1.010 61 A HN 0.132 nan 8.150 nan 0.000 0.493 62 D N 1.118 121.601 120.400 0.139 0.000 2.423 62 D HA 0.163 4.803 4.640 0.001 0.000 0.238 62 D C 0.406 176.768 176.300 0.105 0.000 1.142 62 D CA 0.372 54.479 54.000 0.180 0.000 0.884 62 D CB 0.468 41.468 40.800 0.333 0.000 1.199 62 D HN 0.444 nan 8.370 nan 0.000 0.438 63 L N 1.444 122.711 121.223 0.074 0.000 2.514 63 L HA -0.050 4.290 4.340 0.001 0.000 0.280 63 L C 1.312 178.206 176.870 0.040 0.000 1.223 63 L CA 0.098 54.957 54.840 0.032 0.000 0.864 63 L CB 0.120 42.182 42.059 0.006 0.000 1.118 63 L HN 0.406 nan 8.230 nan 0.000 0.494 64 S N 2.813 118.538 115.700 0.042 0.000 2.632 64 S HA 0.270 4.740 4.470 0.001 0.000 0.267 64 S C 1.134 175.729 174.600 -0.009 0.000 1.276 64 S CA -0.745 57.502 58.200 0.077 0.000 0.998 64 S CB 1.230 64.462 63.200 0.053 0.000 0.953 64 S HN 0.615 nan 8.310 nan 0.000 0.547 65 R N 0.847 121.298 120.500 -0.081 0.000 2.159 65 R HA -0.244 4.097 4.340 0.001 0.000 0.249 65 R C 2.157 178.387 176.300 -0.116 0.000 1.136 65 R CA 2.544 58.534 56.100 -0.183 0.000 0.951 65 R CB -0.656 29.477 30.300 -0.278 0.000 0.876 65 R HN 0.780 nan 8.270 nan 0.000 0.440 66 E N 0.124 120.277 120.200 -0.078 0.000 2.015 66 E HA -0.164 4.187 4.350 0.001 0.000 0.191 66 E C 1.938 178.508 176.600 -0.049 0.000 0.991 66 E CA 1.334 57.700 56.400 -0.056 0.000 0.802 66 E CB -0.069 29.610 29.700 -0.035 0.000 0.759 66 E HN 0.358 nan 8.360 nan 0.000 0.447 67 E N 0.372 120.547 120.200 -0.041 0.000 2.070 67 E HA -0.234 4.117 4.350 0.001 0.000 0.197 67 E C 2.138 178.705 176.600 -0.054 0.000 1.004 67 E CA 1.122 57.496 56.400 -0.044 0.000 0.805 67 E CB -0.214 29.466 29.700 -0.034 0.000 0.744 67 E HN 0.201 nan 8.360 nan 0.000 0.451 68 L N 0.352 121.538 121.223 -0.062 0.000 1.976 68 L HA -0.209 4.131 4.340 0.001 0.000 0.209 68 L C 2.691 179.520 176.870 -0.069 0.000 1.071 68 L CA 1.499 56.295 54.840 -0.073 0.000 0.746 68 L CB -0.794 41.200 42.059 -0.109 0.000 0.890 68 L HN 0.159 nan 8.230 nan 0.000 0.432 69 T N -0.021 114.487 114.554 -0.076 0.000 2.699 69 T HA -0.257 4.093 4.350 0.001 0.000 0.268 69 T C 1.981 176.660 174.700 -0.036 0.000 1.036 69 T CA 1.479 63.542 62.100 -0.061 0.000 1.147 69 T CB -0.340 68.489 68.868 -0.065 0.000 0.862 69 T HN 0.477 nan 8.240 nan 0.000 0.446 70 A N 0.732 123.530 122.820 -0.037 0.000 1.917 70 A HA -0.103 4.217 4.320 0.001 0.000 0.219 70 A C 2.581 180.154 177.584 -0.018 0.000 1.182 70 A CA 1.746 53.764 52.037 -0.032 0.000 0.633 70 A CB -0.968 18.003 19.000 -0.047 0.000 0.819 70 A HN 0.395 nan 8.150 nan 0.000 0.448 71 V N -1.046 118.850 119.914 -0.030 0.000 2.407 71 V HA -0.214 3.907 4.120 0.001 0.000 0.245 71 V C 2.509 178.640 176.094 0.062 0.000 1.041 71 V CA 2.095 64.389 62.300 -0.010 0.000 1.040 71 V CB -0.595 31.202 31.823 -0.043 0.000 0.671 71 V HN 0.624 nan 8.190 nan 0.000 0.455 72 M N 1.117 120.730 119.600 0.022 0.000 2.080 72 M HA -0.147 4.333 4.480 0.001 0.000 0.260 72 M C 2.386 178.708 176.300 0.036 0.000 1.068 72 M CA 2.636 57.949 55.300 0.022 0.000 1.109 72 M CB -0.771 31.819 32.600 -0.016 0.000 1.342 72 M HN 0.296 nan 8.290 nan 0.000 0.405 73 R N -0.239 120.278 120.500 0.028 0.000 2.097 73 R HA -0.236 4.105 4.340 0.001 0.000 0.236 73 R C 2.241 178.565 176.300 0.040 0.000 1.135 73 R CA 2.505 58.617 56.100 0.021 0.000 0.934 73 R CB -2.561 27.746 30.300 0.012 0.000 0.846 73 R HN 0.666 nan 8.270 nan 0.000 0.431 74 F N 0.810 120.718 119.950 -0.071 0.000 2.161 74 F HA -0.094 4.433 4.527 0.001 0.000 0.300 74 F C 2.186 177.966 175.800 -0.033 0.000 1.089 74 F CA 1.806 59.762 58.000 -0.074 0.000 1.282 74 F CB -0.093 38.839 39.000 -0.114 0.000 1.010 74 F HN 0.175 nan 8.300 nan 0.000 0.485 75 L N -0.758 120.581 121.223 0.195 0.000 2.005 75 L HA -0.227 4.113 4.340 0.001 0.000 0.207 75 L C 2.451 179.332 176.870 0.018 0.000 1.072 75 L CA 1.893 56.810 54.840 0.128 0.000 0.744 75 L CB -1.041 41.098 42.059 0.133 0.000 0.895 75 L HN 0.065 nan 8.230 nan 0.000 0.433 76 T N -0.761 113.798 114.554 0.009 0.000 2.699 76 T HA -0.307 4.043 4.350 0.001 0.000 0.268 76 T C 2.165 176.839 174.700 -0.043 0.000 1.036 76 T CA 1.898 63.995 62.100 -0.005 0.000 1.147 76 T CB -0.390 68.476 68.868 -0.003 0.000 0.862 76 T HN 0.549 nan 8.240 nan 0.000 0.446 77 Q N 0.762 120.502 119.800 -0.100 0.000 2.061 77 Q HA -0.164 4.176 4.340 0.001 0.000 0.204 77 Q C 2.409 178.307 176.000 -0.170 0.000 0.984 77 Q CA 2.515 58.227 55.803 -0.151 0.000 0.846 77 Q CB -1.292 27.308 28.738 -0.231 0.000 0.902 77 Q HN 0.763 nan 8.270 nan 0.000 0.421 78 R N -0.736 119.625 120.500 -0.232 0.000 2.080 78 R HA 0.604 4.944 4.340 0.001 0.000 0.222 78 R C 1.959 178.242 176.300 -0.028 0.000 1.107 78 R CA 1.202 57.182 56.100 -0.201 0.000 0.980 78 R CB -1.250 28.840 30.300 -0.350 0.000 0.879 78 R HN 1.225 nan 8.270 nan 0.000 0.439 79 L N 1.230 122.478 121.223 0.041 0.000 2.387 79 L HA 0.652 4.992 4.340 0.001 0.000 0.267 79 L C 1.334 178.296 176.870 0.153 0.000 1.197 79 L CA -0.126 54.802 54.840 0.147 0.000 1.070 79 L CB -1.276 40.909 42.059 0.209 0.000 1.349 79 L HN 1.300 nan 8.230 nan 0.000 0.422 80 G N 2.338 111.199 108.800 0.103 0.000 2.633 80 G HA2 -0.136 3.825 3.960 0.001 0.000 0.263 80 G HA3 -0.136 3.825 3.960 0.001 0.000 0.263 80 G C -1.366 173.575 174.900 0.068 0.000 1.310 80 G CA 0.176 45.323 45.100 0.079 0.000 0.914 80 G HN 1.258 nan 8.290 nan 0.000 0.569 81 P HA 0.584 nan 4.420 nan 0.000 0.289 81 P C 0.784 178.133 177.300 0.082 0.000 1.300 81 P CA 0.977 64.111 63.100 0.057 0.000 0.828 81 P CB 0.920 32.642 31.700 0.038 0.000 1.235 82 G N -1.343 107.498 108.800 0.068 0.000 2.168 82 G HA2 -0.241 3.720 3.960 0.001 0.000 0.263 82 G HA3 -0.241 3.720 3.960 0.001 0.000 0.263 82 G C -0.064 174.893 174.900 0.095 0.000 0.977 82 G CA 0.280 45.426 45.100 0.077 0.000 0.659 82 G HN 0.649 nan 8.290 nan 0.000 0.533 83 L N 0.360 121.640 121.223 0.095 0.000 2.467 83 L HA 0.650 4.991 4.340 0.001 0.000 0.270 83 L C 0.223 177.137 176.870 0.073 0.000 1.205 83 L CA -0.026 54.870 54.840 0.093 0.000 0.828 83 L CB 1.433 43.543 42.059 0.084 0.000 1.101 83 L HN 0.353 nan 8.230 nan 0.000 0.479 84 V N 3.240 123.197 119.914 0.072 0.000 2.823 84 V HA 0.169 4.290 4.120 0.001 0.000 0.296 84 V C -0.930 175.205 176.094 0.069 0.000 1.250 84 V CA -1.111 61.231 62.300 0.070 0.000 0.939 84 V CB 1.736 33.611 31.823 0.086 0.000 1.062 84 V HN 0.836 nan 8.190 nan 0.000 0.433 85 D N 2.886 123.321 120.400 0.059 0.000 2.629 85 D HA 0.156 4.797 4.640 0.001 0.000 0.228 85 D C 1.119 177.474 176.300 0.092 0.000 1.127 85 D CA 1.147 55.183 54.000 0.060 0.000 0.855 85 D CB 1.448 42.280 40.800 0.054 0.000 1.180 85 D HN 0.783 nan 8.370 nan 0.000 0.484 86 A N 3.336 126.212 122.820 0.093 0.000 2.167 86 A HA 0.162 4.483 4.320 0.001 0.000 0.214 86 A C 2.020 179.732 177.584 0.213 0.000 1.151 86 A CA 1.141 53.265 52.037 0.145 0.000 0.735 86 A CB -0.317 18.752 19.000 0.116 0.000 0.802 86 A HN 0.616 nan 8.150 nan 0.000 0.467 87 A N 0.140 123.074 122.820 0.190 0.000 2.015 87 A HA -0.154 4.166 4.320 0.001 0.000 0.219 87 A C 2.120 179.865 177.584 0.267 0.000 1.163 87 A CA 1.672 53.873 52.037 0.274 0.000 0.646 87 A CB -0.267 18.851 19.000 0.196 0.000 0.806 87 A HN 0.735 nan 8.150 nan 0.000 0.448 88 Q N -1.757 118.151 119.800 0.180 0.000 2.342 88 Q HA 0.462 4.802 4.340 0.001 0.000 0.261 88 Q C 0.953 177.030 176.000 0.127 0.000 0.841 88 Q CA 0.478 56.363 55.803 0.137 0.000 0.969 88 Q CB -0.240 28.561 28.738 0.104 0.000 1.136 88 Q HN 0.397 nan 8.270 nan 0.000 0.528 89 A N 2.060 124.966 122.820 0.144 0.000 2.448 89 A HA 0.357 4.677 4.320 0.001 0.000 0.239 89 A C -0.043 177.647 177.584 0.177 0.000 1.080 89 A CA -0.040 52.087 52.037 0.151 0.000 0.779 89 A CB 0.381 19.478 19.000 0.162 0.000 1.026 89 A HN 0.227 nan 8.150 nan 0.000 0.499 90 R N 0.363 120.967 120.500 0.172 0.000 2.919 90 R HA 0.405 4.745 4.340 0.001 0.000 0.260 90 R C -2.126 174.316 176.300 0.236 0.000 1.067 90 R CA -2.171 54.031 56.100 0.171 0.000 1.003 90 R CB 0.126 30.480 30.300 0.091 0.000 1.192 90 R HN 0.366 nan 8.270 nan 0.000 0.488 91 P HA -0.157 nan 4.420 nan 0.000 0.216 91 P C 0.766 178.246 177.300 0.300 0.000 1.154 91 P CA 1.661 64.973 63.100 0.354 0.000 0.865 91 P CB 0.149 32.069 31.700 0.366 0.000 0.789 92 S N -2.426 113.377 115.700 0.171 0.000 2.603 92 S HA 0.028 4.498 4.470 0.001 0.000 0.220 92 S C 0.665 175.332 174.600 0.111 0.000 0.967 92 S CA -0.014 58.240 58.200 0.090 0.000 0.920 92 S CB -0.757 62.473 63.200 0.050 0.000 0.773 92 S HN 0.074 nan 8.310 nan 0.000 0.529 93 D N 2.788 123.289 120.400 0.168 0.000 2.344 93 D HA 0.271 4.911 4.640 0.001 0.000 0.244 93 D C -0.430 176.002 176.300 0.220 0.000 1.134 93 D CA -0.033 54.069 54.000 0.170 0.000 0.930 93 D CB 0.377 41.277 40.800 0.166 0.000 1.175 93 D HN 0.090 nan 8.370 nan 0.000 0.437 94 N N 0.091 118.908 118.700 0.196 0.000 2.426 94 N HA 0.242 4.983 4.740 0.001 0.000 0.275 94 N C -0.790 174.801 175.510 0.135 0.000 1.019 94 N CA -0.215 52.962 53.050 0.211 0.000 0.941 94 N CB 0.962 39.605 38.487 0.260 0.000 1.123 94 N HN 0.224 nan 8.380 nan 0.000 0.486 95 C N 1.365 120.714 119.300 0.082 0.000 2.771 95 C HA 0.619 5.080 4.460 0.001 0.000 0.333 95 C C -0.389 174.542 174.990 -0.099 0.000 1.267 95 C CA -0.501 58.520 59.018 0.005 0.000 1.721 95 C CB 1.750 29.480 27.740 -0.018 0.000 2.222 95 C HN 0.388 nan 8.230 nan 0.000 0.485 96 V N 3.005 122.873 119.914 -0.077 0.000 2.378 96 V HA 0.284 4.405 4.120 0.001 0.000 0.288 96 V C 0.084 176.123 176.094 -0.091 0.000 1.016 96 V CA -0.094 62.160 62.300 -0.076 0.000 0.840 96 V CB 1.188 32.997 31.823 -0.024 0.000 0.994 96 V HN 0.879 nan 8.190 nan 0.000 0.431 97 F N 4.106 123.860 119.950 -0.327 0.000 2.262 97 F HA 0.229 4.757 4.527 0.001 0.000 0.292 97 F C 1.121 176.902 175.800 -0.032 0.000 1.081 97 F CA 0.759 58.543 58.000 -0.359 0.000 1.355 97 F CB 0.528 39.086 39.000 -0.737 0.000 1.069 97 F HN 0.539 nan 8.300 nan 0.000 0.506 98 S N -0.274 115.393 115.700 -0.054 0.000 2.533 98 S HA 0.728 5.198 4.470 0.001 0.000 0.271 98 S C -1.171 173.465 174.600 0.061 0.000 1.143 98 S CA -0.235 57.942 58.200 -0.038 0.000 0.891 98 S CB 0.963 64.266 63.200 0.170 0.000 1.105 98 S HN 0.657 nan 8.310 nan 0.000 0.468 99 V N 1.538 121.463 119.914 0.018 0.000 2.525 99 V HA 0.936 5.056 4.120 0.001 0.000 0.299 99 V C -0.556 175.555 176.094 0.028 0.000 1.034 99 V CA -0.540 61.781 62.300 0.036 0.000 0.863 99 V CB 1.353 33.177 31.823 0.001 0.000 0.999 99 V HN 1.158 nan 8.190 nan 0.000 0.423 100 E N 4.068 124.310 120.200 0.069 0.000 2.445 100 E HA 0.689 5.039 4.350 0.001 0.000 0.279 100 E C -1.226 175.429 176.600 0.092 0.000 1.018 100 E CA -1.015 55.431 56.400 0.076 0.000 0.816 100 E CB 2.201 31.958 29.700 0.095 0.000 1.356 100 E HN 0.937 nan 8.360 nan 0.000 0.462 101 L N 1.707 122.988 121.223 0.097 0.000 2.578 101 L HA 0.075 4.416 4.340 0.001 0.000 0.279 101 L C -0.298 176.635 176.870 0.105 0.000 1.227 101 L CA 0.758 55.648 54.840 0.084 0.000 0.900 101 L CB 0.452 42.563 42.059 0.087 0.000 1.144 101 L HN 0.662 nan 8.230 nan 0.000 0.496 102 Q N 4.496 124.346 119.800 0.084 0.000 2.331 102 Q HA 0.435 4.775 4.340 0.001 0.000 0.257 102 Q C -1.172 174.876 176.000 0.080 0.000 0.957 102 Q CA -0.091 55.773 55.803 0.102 0.000 0.923 102 Q CB 0.720 29.517 28.738 0.098 0.000 1.212 102 Q HN 0.733 nan 8.270 nan 0.000 0.443 103 L N 6.798 128.087 121.223 0.111 0.000 2.456 103 L HA 0.349 4.689 4.340 0.001 0.000 0.272 103 L C -1.690 175.238 176.870 0.096 0.000 1.189 103 L CA -1.552 53.349 54.840 0.102 0.000 0.846 103 L CB 0.327 42.495 42.059 0.183 0.000 1.111 103 L HN 0.672 nan 8.230 nan 0.000 0.475 104 P HA 0.266 nan 4.420 nan 0.000 0.276 104 P C -2.591 174.785 177.300 0.127 0.000 1.244 104 P CA -1.570 61.558 63.100 0.046 0.000 0.801 104 P CB -0.144 31.524 31.700 -0.053 0.000 1.006 105 P HA 0.090 nan 4.420 nan 0.000 0.268 105 P C 1.023 178.395 177.300 0.119 0.000 1.208 105 P CA -0.062 63.094 63.100 0.093 0.000 0.777 105 P CB 0.681 32.410 31.700 0.049 0.000 0.875 106 K N 1.558 121.995 120.400 0.062 0.000 2.031 106 K HA -0.107 4.214 4.320 0.001 0.000 0.205 106 K C 1.887 178.483 176.600 -0.007 0.000 1.049 106 K CA 1.407 57.667 56.287 -0.045 0.000 0.939 106 K CB -0.564 31.727 32.500 -0.348 0.000 0.717 106 K HN 0.488 nan 8.250 nan 0.000 0.438 107 A N 1.403 124.216 122.820 -0.011 0.000 1.873 107 A HA -0.224 4.097 4.320 0.001 0.000 0.218 107 A C 2.338 179.950 177.584 0.046 0.000 1.193 107 A CA 2.399 54.441 52.037 0.009 0.000 0.629 107 A CB -0.903 18.099 19.000 0.003 0.000 0.826 107 A HN 0.466 nan 8.150 nan 0.000 0.447 108 A N -0.411 122.439 122.820 0.050 0.000 1.877 108 A HA 0.166 4.486 4.320 0.001 0.000 0.216 108 A C 2.568 180.209 177.584 0.096 0.000 1.186 108 A CA 2.326 54.398 52.037 0.058 0.000 0.620 108 A CB -1.219 17.799 19.000 0.031 0.000 0.822 108 A HN 1.230 nan 8.150 nan 0.000 0.443 109 A N -0.237 122.654 122.820 0.119 0.000 1.892 109 A HA -0.151 4.170 4.320 0.001 0.000 0.218 109 A C 2.222 179.957 177.584 0.250 0.000 1.188 109 A CA 1.763 53.908 52.037 0.179 0.000 0.631 109 A CB -0.668 18.527 19.000 0.325 0.000 0.822 109 A HN 0.494 nan 8.150 nan 0.000 0.447 110 L N -1.201 120.157 121.223 0.225 0.000 2.005 110 L HA -0.156 4.184 4.340 0.001 0.000 0.207 110 L C 3.171 180.120 176.870 0.132 0.000 1.072 110 L CA 0.970 55.923 54.840 0.189 0.000 0.744 110 L CB -0.776 41.359 42.059 0.127 0.000 0.895 110 L HN 0.455 nan 8.230 nan 0.000 0.433 111 A N -0.079 122.807 122.820 0.109 0.000 1.915 111 A HA -0.375 3.946 4.320 0.001 0.000 0.220 111 A C 2.119 179.769 177.584 0.110 0.000 1.198 111 A CA 2.615 54.707 52.037 0.092 0.000 0.647 111 A CB -1.046 18.001 19.000 0.079 0.000 0.825 111 A HN 0.593 nan 8.150 nan 0.000 0.456 112 H N -0.511 118.585 119.070 0.044 0.000 2.299 112 H HA 0.054 4.610 4.556 0.001 0.000 0.302 112 H C 1.787 177.144 175.328 0.048 0.000 1.078 112 H CA 1.917 57.984 56.048 0.031 0.000 1.323 112 H CB -0.360 29.406 29.762 0.007 0.000 1.381 112 H HN 0.348 nan 8.280 nan 0.000 0.498 113 L N -0.187 121.025 121.223 -0.018 0.000 2.083 113 L HA -0.139 4.202 4.340 0.001 0.000 0.209 113 L C 1.527 178.371 176.870 -0.043 0.000 1.083 113 L CA 1.519 56.326 54.840 -0.056 0.000 0.752 113 L CB -0.132 42.009 42.059 0.137 0.000 0.899 113 L HN 0.432 nan 8.230 nan 0.000 0.433 114 D N -1.137 119.269 120.400 0.009 0.000 3.154 114 D HA 0.024 4.664 4.640 0.001 0.000 0.278 114 D C 2.359 178.663 176.300 0.007 0.000 1.460 114 D CA 0.952 54.966 54.000 0.024 0.000 1.114 114 D CB -0.291 40.546 40.800 0.061 0.000 1.151 114 D HN 0.020 nan 8.370 nan 0.000 0.376 115 R N 1.031 121.545 120.500 0.023 0.000 2.293 115 R HA 0.088 4.428 4.340 0.001 0.000 0.219 115 R C 1.786 178.092 176.300 0.010 0.000 1.091 115 R CA 1.783 57.896 56.100 0.022 0.000 1.004 115 R CB -1.553 28.768 30.300 0.035 0.000 0.865 115 R HN 0.459 nan 8.270 nan 0.000 0.469 116 G N -1.104 107.687 108.800 -0.015 0.000 2.159 116 G HA2 -0.264 3.696 3.960 0.001 0.000 0.256 116 G HA3 -0.264 3.696 3.960 0.001 0.000 0.256 116 G C 0.622 175.546 174.900 0.041 0.000 0.977 116 G CA 0.595 45.679 45.100 -0.027 0.000 0.652 116 G HN 0.865 nan 8.290 nan 0.000 0.531 117 S N 2.070 117.814 115.700 0.075 0.000 2.580 117 S HA 0.439 4.910 4.470 0.001 0.000 0.261 117 S C -1.319 173.398 174.600 0.195 0.000 1.366 117 S CA -0.128 58.134 58.200 0.104 0.000 0.996 117 S CB 0.711 63.962 63.200 0.084 0.000 0.902 117 S HN 0.484 nan 8.310 nan 0.000 0.566 118 P HA 0.228 nan 4.420 nan 0.000 0.270 118 P C -2.732 174.546 177.300 -0.037 0.000 1.223 118 P CA -1.294 61.852 63.100 0.075 0.000 0.785 118 P CB -0.972 30.737 31.700 0.015 0.000 0.923 119 P HA 0.176 nan 4.420 nan 0.000 0.269 119 P C -2.032 175.143 177.300 -0.208 0.000 1.215 119 P CA -0.942 61.841 63.100 -0.528 0.000 0.780 119 P CB -1.204 30.128 31.700 -0.612 0.000 0.898 120 P HA 0.150 nan 4.420 nan 0.000 0.274 120 P C -0.670 176.582 177.300 -0.080 0.000 1.237 120 P CA -0.419 62.632 63.100 -0.082 0.000 0.793 120 P CB 0.373 32.040 31.700 -0.054 0.000 0.977 121 A N 2.406 125.210 122.820 -0.028 0.000 2.573 121 A HA -0.058 4.263 4.320 0.001 0.000 0.250 121 A C 0.727 178.302 177.584 -0.014 0.000 1.049 121 A CA 0.149 52.192 52.037 0.009 0.000 0.767 121 A CB -0.718 18.339 19.000 0.095 0.000 0.965 121 A HN 0.572 nan 8.150 nan 0.000 0.514 122 R N 2.632 123.106 120.500 -0.043 0.000 2.296 122 R HA 0.289 4.629 4.340 0.001 0.000 0.323 122 R C -0.176 176.099 176.300 -0.041 0.000 1.067 122 R CA 0.291 56.355 56.100 -0.060 0.000 0.946 122 R CB 0.260 30.513 30.300 -0.079 0.000 0.991 122 R HN 0.871 nan 8.270 nan 0.000 0.448 123 E N 1.970 122.158 120.200 -0.020 0.000 2.355 123 E HA 0.712 5.063 4.350 0.001 0.000 0.261 123 E C -1.287 175.307 176.600 -0.009 0.000 0.943 123 E CA -1.323 55.071 56.400 -0.011 0.000 0.806 123 E CB 1.991 31.730 29.700 0.064 0.000 1.286 123 E HN 0.639 nan 8.360 nan 0.000 0.424 124 A N 0.797 123.613 122.820 -0.007 0.000 2.515 124 A HA 0.677 4.998 4.320 0.001 0.000 0.296 124 A C -1.843 175.777 177.584 0.060 0.000 1.094 124 A CA -0.577 51.472 52.037 0.020 0.000 0.718 124 A CB 1.228 20.220 19.000 -0.013 0.000 1.307 124 A HN 0.380 nan 8.150 nan 0.000 0.408 125 L N 1.147 122.429 121.223 0.100 0.000 2.341 125 L HA 0.852 5.193 4.340 0.001 0.000 0.278 125 L C -0.034 176.930 176.870 0.157 0.000 1.005 125 L CA -0.048 54.878 54.840 0.144 0.000 0.818 125 L CB 1.624 43.794 42.059 0.186 0.000 1.259 125 L HN 1.069 nan 8.230 nan 0.000 0.418 126 A N 5.935 128.856 122.820 0.167 0.000 2.342 126 A HA 0.766 5.086 4.320 0.001 0.000 0.323 126 A C -0.862 176.858 177.584 0.227 0.000 1.125 126 A CA -0.508 51.631 52.037 0.170 0.000 0.785 126 A CB 0.703 19.780 19.000 0.127 0.000 1.221 126 A HN 0.678 nan 8.150 nan 0.000 0.463 127 I N 2.585 123.320 120.570 0.276 0.000 2.321 127 I HA 0.377 4.547 4.170 0.001 0.000 0.291 127 I C -0.679 175.566 176.117 0.214 0.000 0.998 127 I CA -0.592 60.917 61.300 0.348 0.000 1.227 127 I CB 1.631 39.968 38.000 0.562 0.000 1.368 127 I HN 0.283 nan 8.210 nan 0.000 0.466 128 V N 6.688 126.678 119.914 0.125 0.000 2.448 128 V HA 0.380 4.500 4.120 0.001 0.000 0.295 128 V C -0.322 175.779 176.094 0.011 0.000 1.025 128 V CA -0.645 61.579 62.300 -0.127 0.000 0.859 128 V CB 1.521 33.072 31.823 -0.453 0.000 0.988 128 V HN 0.317 nan 8.190 nan 0.000 0.431 129 F N 4.496 124.359 119.950 -0.146 0.000 2.424 129 F HA 0.496 5.024 4.527 0.001 0.000 0.356 129 F C -0.043 175.737 175.800 -0.034 0.000 1.110 129 F CA -1.456 56.560 58.000 0.027 0.000 1.161 129 F CB 0.404 39.483 39.000 0.131 0.000 1.115 129 F HN 0.309 nan 8.300 nan 0.000 0.507 130 F N 2.053 122.276 119.950 0.455 0.000 2.300 130 F HA 0.414 4.941 4.527 0.001 0.000 0.364 130 F C 1.142 176.960 175.800 0.032 0.000 1.090 130 F CA -0.773 57.358 58.000 0.219 0.000 1.200 130 F CB 0.963 40.048 39.000 0.141 0.000 1.493 130 F HN 0.585 nan 8.300 nan 0.000 0.518 131 G N 1.071 109.985 108.800 0.190 0.000 2.437 131 G HA2 0.034 3.995 3.960 0.001 0.000 0.212 131 G HA3 0.034 3.995 3.960 0.001 0.000 0.212 131 G C 1.306 176.182 174.900 -0.039 0.000 1.174 131 G CA -0.019 45.017 45.100 -0.108 0.000 0.811 131 G HN 0.517 nan 8.290 nan 0.000 0.537 132 R N 0.615 121.159 120.500 0.073 0.000 3.152 132 R HA 0.516 4.856 4.340 0.001 0.000 0.209 132 R C 0.141 176.457 176.300 0.027 0.000 1.649 132 R CA 0.456 56.587 56.100 0.051 0.000 1.185 132 R CB -1.159 29.189 30.300 0.080 0.000 1.258 132 R HN 0.557 nan 8.270 nan 0.000 0.656 133 Q N 0.793 120.582 119.800 -0.019 0.000 2.503 133 Q HA 0.234 4.574 4.340 0.001 0.000 0.268 133 Q C -2.223 173.745 176.000 -0.054 0.000 0.982 133 Q CA -1.452 54.329 55.803 -0.036 0.000 0.907 133 Q CB 2.559 31.274 28.738 -0.039 0.000 1.467 133 Q HN 0.285 nan 8.270 nan 0.000 0.394 134 P HA -0.142 nan 4.420 nan 0.000 0.214 134 P C -0.433 176.840 177.300 -0.045 0.000 1.163 134 P CA 1.312 64.390 63.100 -0.038 0.000 0.889 134 P CB 0.322 32.005 31.700 -0.029 0.000 0.790 135 Q N -0.424 119.348 119.800 -0.046 0.000 2.560 135 Q HA 0.295 4.635 4.340 0.001 0.000 0.238 135 Q C -2.480 173.486 176.000 -0.056 0.000 1.079 135 Q CA -2.120 53.658 55.803 -0.041 0.000 0.866 135 Q CB 0.456 29.182 28.738 -0.020 0.000 1.153 135 Q HN 0.194 nan 8.270 nan 0.000 0.530 136 P HA 0.136 nan 4.420 nan 0.000 0.271 136 P C -0.752 176.522 177.300 -0.044 0.000 1.216 136 P CA -0.348 62.618 63.100 -0.223 0.000 0.776 136 P CB 0.855 32.119 31.700 -0.726 0.000 0.881 137 N N 0.445 119.239 118.700 0.158 0.000 2.455 137 N HA 0.421 5.161 4.740 0.001 0.000 0.278 137 N C -1.532 174.213 175.510 0.391 0.000 1.291 137 N CA -1.042 52.166 53.050 0.263 0.000 0.780 137 N CB 0.808 39.391 38.487 0.160 0.000 1.520 137 N HN -0.009 nan 8.380 nan 0.000 0.486 138 V N 0.490 120.500 119.914 0.160 0.000 2.567 138 V HA 0.598 4.719 4.120 0.001 0.000 0.289 138 V C -0.032 176.154 176.094 0.154 0.000 1.049 138 V CA -0.327 62.033 62.300 0.099 0.000 0.969 138 V CB 1.070 32.757 31.823 -0.228 0.000 0.995 138 V HN 0.792 nan 8.190 nan 0.000 0.471 139 S N 2.853 118.709 115.700 0.262 0.000 2.542 139 S HA 0.515 4.985 4.470 0.001 0.000 0.293 139 S C -0.777 173.992 174.600 0.282 0.000 1.089 139 S CA -0.779 57.600 58.200 0.299 0.000 0.961 139 S CB 1.705 65.199 63.200 0.491 0.000 1.062 139 S HN 0.775 nan 8.310 nan 0.000 0.483 140 E N 1.685 122.051 120.200 0.277 0.000 2.145 140 E HA 0.427 4.778 4.350 0.001 0.000 0.270 140 E C -1.469 175.272 176.600 0.236 0.000 0.906 140 E CA -0.692 55.878 56.400 0.284 0.000 0.761 140 E CB 1.209 31.096 29.700 0.312 0.000 1.116 140 E HN 0.122 nan 8.360 nan 0.000 0.408 141 L N 3.321 124.679 121.223 0.225 0.000 2.349 141 L HA 0.325 4.665 4.340 0.001 0.000 0.278 141 L C -0.521 176.454 176.870 0.175 0.000 0.996 141 L CA -0.906 54.057 54.840 0.204 0.000 0.825 141 L CB 1.827 44.017 42.059 0.217 0.000 1.243 141 L HN 0.303 nan 8.230 nan 0.000 0.412 142 V N 4.638 124.652 119.914 0.167 0.000 2.432 142 V HA 0.512 4.632 4.120 0.001 0.000 0.275 142 V C -0.033 176.141 176.094 0.133 0.000 1.043 142 V CA -0.588 61.803 62.300 0.151 0.000 0.925 142 V CB 1.747 33.669 31.823 0.166 0.000 0.985 142 V HN 0.446 nan 8.190 nan 0.000 0.466 143 V N 4.416 124.343 119.914 0.021 0.000 2.495 143 V HA 0.999 5.119 4.120 0.001 0.000 0.298 143 V C 0.519 176.392 176.094 -0.368 0.000 1.031 143 V CA 0.197 62.377 62.300 -0.200 0.000 0.871 143 V CB 1.354 33.054 31.823 -0.205 0.000 0.988 143 V HN 1.076 nan 8.190 nan 0.000 0.432 144 G N 5.093 113.340 108.800 -0.920 0.000 2.489 144 G HA2 0.654 4.615 3.960 0.001 0.000 0.305 144 G HA3 0.654 4.615 3.960 0.001 0.000 0.305 144 G C -3.489 170.519 174.900 -1.486 0.000 1.311 144 G CA -0.807 43.740 45.100 -0.922 0.000 0.813 144 G HN 0.476 nan 8.290 nan 0.000 0.480 145 P HA 0.558 nan 4.420 nan 0.000 0.296 145 P C -0.489 176.699 177.300 -0.187 0.000 1.306 145 P CA -0.555 62.413 63.100 -0.220 0.000 0.818 145 P CB 1.702 33.413 31.700 0.018 0.000 0.969 146 L N 5.632 126.765 121.223 -0.150 0.000 2.467 146 L HA 0.155 4.495 4.340 0.001 0.000 0.270 146 L C -0.537 176.304 176.870 -0.049 0.000 1.205 146 L CA -0.677 54.103 54.840 -0.100 0.000 0.828 146 L CB -0.661 41.346 42.059 -0.087 0.000 1.101 146 L HN 0.380 nan 8.230 nan 0.000 0.479 147 P HA -0.075 nan 4.420 nan 0.000 0.241 147 P C -0.164 177.155 177.300 0.033 0.000 1.191 147 P CA 0.913 64.010 63.100 -0.006 0.000 0.771 147 P CB 0.088 31.793 31.700 0.008 0.000 0.929 148 H N 1.156 120.178 119.070 -0.079 0.000 2.716 148 H HA 0.345 4.901 4.556 0.001 0.000 0.260 148 H C -2.508 172.744 175.328 -0.127 0.000 1.280 148 H CA -2.251 53.757 56.048 -0.067 0.000 1.506 148 H CB 0.876 30.622 29.762 -0.027 0.000 1.514 148 H HN -0.086 nan 8.280 nan 0.000 0.502 149 P HA 0.027 nan 4.420 nan 0.000 0.271 149 P C 0.250 177.219 177.300 -0.552 0.000 1.218 149 P CA 0.065 62.807 63.100 -0.596 0.000 0.780 149 P CB 1.827 32.982 31.700 -0.909 0.000 0.901 150 S N 1.118 116.516 115.700 -0.503 0.000 2.663 150 S HA 0.121 4.592 4.470 0.001 0.000 0.247 150 S C 0.400 175.043 174.600 0.071 0.000 1.074 150 S CA -0.288 57.888 58.200 -0.040 0.000 0.955 150 S CB -0.474 62.788 63.200 0.104 0.000 0.901 150 S HN 0.528 nan 8.310 nan 0.000 0.505 151 Y N 0.508 120.736 120.300 -0.120 0.000 2.650 151 Y HA 0.865 5.416 4.550 0.001 0.000 0.331 151 Y C -0.580 175.290 175.900 -0.050 0.000 1.082 151 Y CA -1.762 56.352 58.100 0.024 0.000 1.171 151 Y CB 1.174 39.644 38.460 0.017 0.000 1.326 151 Y HN 0.232 nan 8.280 nan 0.000 0.513 152 M N 2.460 122.288 119.600 0.381 0.000 2.296 152 M HA 0.507 4.987 4.480 0.001 0.000 0.268 152 M C -2.356 174.112 176.300 0.280 0.000 1.048 152 M CA -0.593 54.883 55.300 0.293 0.000 0.966 152 M CB 1.886 34.717 32.600 0.384 0.000 1.912 152 M HN 0.961 nan 8.290 nan 0.000 0.484 153 R N 1.583 122.229 120.500 0.244 0.000 2.534 153 R HA 0.617 4.957 4.340 0.001 0.000 0.301 153 R C -1.394 175.002 176.300 0.160 0.000 0.961 153 R CA -0.806 55.398 56.100 0.174 0.000 0.871 153 R CB 1.629 32.006 30.300 0.129 0.000 1.170 153 R HN 0.619 nan 8.270 nan 0.000 0.446 154 D N 2.740 123.227 120.400 0.144 0.000 2.336 154 D HA 0.057 4.698 4.640 0.001 0.000 0.249 154 D C 0.924 177.292 176.300 0.112 0.000 1.213 154 D CA -0.530 53.559 54.000 0.148 0.000 0.870 154 D CB 1.541 42.428 40.800 0.145 0.000 1.076 154 D HN 0.505 nan 8.370 nan 0.000 0.483 155 V N 1.016 120.999 119.914 0.115 0.000 3.621 155 V HA 0.057 4.178 4.120 0.001 0.000 0.285 155 V C 1.678 177.800 176.094 0.047 0.000 1.346 155 V CA 0.501 62.845 62.300 0.073 0.000 1.104 155 V CB -0.315 31.551 31.823 0.072 0.000 0.913 155 V HN 0.499 nan 8.190 nan 0.000 0.432 156 T N 2.177 116.791 114.554 0.101 0.000 2.597 156 T HA -0.223 4.128 4.350 0.001 0.000 0.267 156 T C 1.897 176.636 174.700 0.065 0.000 1.053 156 T CA 2.500 64.675 62.100 0.126 0.000 1.165 156 T CB -0.476 68.497 68.868 0.175 0.000 0.863 156 T HN 0.464 nan 8.240 nan 0.000 0.427 157 V N 1.307 121.260 119.914 0.064 0.000 2.548 157 V HA -0.112 4.008 4.120 0.001 0.000 0.249 157 V C 2.472 178.578 176.094 0.020 0.000 1.055 157 V CA 1.579 63.910 62.300 0.051 0.000 1.065 157 V CB -0.707 31.144 31.823 0.048 0.000 0.681 157 V HN 0.525 nan 8.190 nan 0.000 0.462 158 E N 0.818 121.021 120.200 0.005 0.000 2.021 158 E HA -0.274 4.076 4.350 0.001 0.000 0.200 158 E C 2.503 179.071 176.600 -0.052 0.000 1.015 158 E CA 1.896 58.289 56.400 -0.013 0.000 0.824 158 E CB -0.046 29.650 29.700 -0.006 0.000 0.762 158 E HN 0.546 nan 8.360 nan 0.000 0.454 159 R N -0.887 119.529 120.500 -0.139 0.000 2.057 159 R HA -0.056 4.284 4.340 0.001 0.000 0.229 159 R C 2.077 178.200 176.300 -0.294 0.000 1.136 159 R CA 1.377 57.299 56.100 -0.297 0.000 0.952 159 R CB -0.238 29.734 30.300 -0.546 0.000 0.848 159 R HN 0.376 nan 8.270 nan 0.000 0.430 160 H N -0.957 118.161 119.070 0.080 0.000 2.520 160 H HA 0.221 4.777 4.556 0.001 0.000 0.284 160 H C 0.878 176.236 175.328 0.050 0.000 1.037 160 H CA 0.508 56.599 56.048 0.071 0.000 1.168 160 H CB 0.702 30.503 29.762 0.064 0.000 1.497 160 H HN 0.498 nan 8.280 nan 0.000 0.547 161 G N 0.843 109.702 108.800 0.099 0.000 2.249 161 G HA2 -0.121 3.839 3.960 0.001 0.000 0.273 161 G HA3 -0.121 3.839 3.960 0.001 0.000 0.273 161 G C 0.603 175.546 174.900 0.072 0.000 1.036 161 G CA 0.744 45.887 45.100 0.072 0.000 0.824 161 G HN 0.929 nan 8.290 nan 0.000 0.504 162 G N -1.476 107.374 108.800 0.083 0.000 2.352 162 G HA2 0.591 4.551 3.960 0.001 0.000 0.302 162 G HA3 0.591 4.551 3.960 0.001 0.000 0.302 162 G C -2.961 171.982 174.900 0.071 0.000 1.370 162 G CA -0.020 45.119 45.100 0.065 0.000 0.918 162 G HN 0.648 nan 8.290 nan 0.000 0.610 163 P HA 0.337 nan 4.420 nan 0.000 0.271 163 P C -0.110 177.183 177.300 -0.012 0.000 1.218 163 P CA -0.183 62.938 63.100 0.036 0.000 0.780 163 P CB 0.948 32.666 31.700 0.030 0.000 0.901 164 L N 4.580 125.766 121.223 -0.062 0.000 2.315 164 L HA 0.255 4.595 4.340 0.001 0.000 0.283 164 L C -1.931 174.811 176.870 -0.213 0.000 1.089 164 L CA -2.033 52.672 54.840 -0.226 0.000 0.833 164 L CB 0.378 42.174 42.059 -0.440 0.000 1.170 164 L HN 0.186 nan 8.230 nan 0.000 0.442 165 P HA -0.125 nan 4.420 nan 0.000 0.264 165 P C 0.048 177.148 177.300 -0.334 0.000 1.183 165 P CA 0.195 63.149 63.100 -0.242 0.000 0.763 165 P CB 0.394 31.860 31.700 -0.390 0.000 0.807 166 Y N 3.637 123.792 120.300 -0.242 0.000 2.293 166 Y HA -0.239 4.312 4.550 0.001 0.000 0.291 166 Y C 2.382 178.130 175.900 -0.253 0.000 1.137 166 Y CA 1.716 59.683 58.100 -0.223 0.000 1.202 166 Y CB -0.519 37.888 38.460 -0.088 0.000 0.990 166 Y HN 0.526 nan 8.280 nan 0.000 0.537 167 H N -1.239 117.787 119.070 -0.073 0.000 2.521 167 H HA -0.005 4.551 4.556 0.001 0.000 0.286 167 H C 1.588 176.815 175.328 -0.167 0.000 1.034 167 H CA 1.053 57.029 56.048 -0.119 0.000 1.278 167 H CB -0.343 29.393 29.762 -0.044 0.000 1.386 167 H HN 0.326 nan 8.280 nan 0.000 0.567 168 R N 1.431 121.589 120.500 -0.569 0.000 2.235 168 R HA 0.001 4.342 4.340 0.001 0.000 0.213 168 R C 0.985 177.140 176.300 -0.242 0.000 1.059 168 R CA 0.055 55.956 56.100 -0.331 0.000 0.997 168 R CB -0.025 30.035 30.300 -0.398 0.000 0.884 168 R HN 0.395 nan 8.270 nan 0.000 0.462 169 R N 2.637 122.834 120.500 -0.505 0.000 2.583 169 R HA 0.050 4.391 4.340 0.001 0.000 0.274 169 R C -2.585 173.449 176.300 -0.443 0.000 0.998 169 R CA -1.316 54.357 56.100 -0.712 0.000 1.081 169 R CB -0.206 29.179 30.300 -1.525 0.000 0.940 169 R HN -0.207 nan 8.270 nan 0.000 0.413 170 P HA -0.051 nan 4.420 nan 0.000 0.269 170 P C -0.532 176.689 177.300 -0.132 0.000 1.215 170 P CA -0.292 62.679 63.100 -0.215 0.000 0.780 170 P CB 0.506 32.105 31.700 -0.168 0.000 0.898 171 V N 4.455 124.312 119.914 -0.096 0.000 2.446 171 V HA -0.019 4.101 4.120 0.001 0.000 0.276 171 V C 0.974 177.082 176.094 0.024 0.000 1.030 171 V CA 0.196 62.407 62.300 -0.149 0.000 1.033 171 V CB -0.612 30.935 31.823 -0.461 0.000 0.993 171 V HN 0.366 nan 8.190 nan 0.000 0.477 172 L N 4.181 125.496 121.223 0.154 0.000 2.479 172 L HA 0.093 4.433 4.340 0.001 0.000 0.270 172 L C 1.411 178.545 176.870 0.440 0.000 1.236 172 L CA -0.057 55.014 54.840 0.385 0.000 0.823 172 L CB 0.005 42.295 42.059 0.386 0.000 1.098 172 L HN 0.662 nan 8.230 nan 0.000 0.500 173 F N 0.971 121.181 119.950 0.432 0.000 2.134 173 F HA -0.251 4.276 4.527 0.001 0.000 0.299 173 F C 2.404 178.422 175.800 0.363 0.000 1.097 173 F CA 1.843 60.120 58.000 0.462 0.000 1.264 173 F CB -0.204 38.991 39.000 0.325 0.000 1.001 173 F HN 0.587 nan 8.300 nan 0.000 0.479 174 Q N 0.976 120.838 119.800 0.104 0.000 2.061 174 Q HA -0.261 4.079 4.340 0.001 0.000 0.204 174 Q C 2.294 178.318 176.000 0.041 0.000 0.984 174 Q CA 2.366 58.160 55.803 -0.015 0.000 0.846 174 Q CB -0.727 28.085 28.738 0.122 0.000 0.902 174 Q HN 0.652 nan 8.270 nan 0.000 0.421 175 E N -1.455 118.819 120.200 0.124 0.000 2.097 175 E HA -0.247 4.104 4.350 0.001 0.000 0.196 175 E C 1.660 178.277 176.600 0.029 0.000 1.000 175 E CA 1.446 57.924 56.400 0.129 0.000 0.804 175 E CB -0.248 29.478 29.700 0.042 0.000 0.740 175 E HN 0.523 nan 8.360 nan 0.000 0.454 176 Y N 0.478 120.818 120.300 0.067 0.000 2.181 176 Y HA -0.179 4.372 4.550 0.001 0.000 0.288 176 Y C 2.206 178.085 175.900 -0.034 0.000 1.146 176 Y CA 1.168 59.294 58.100 0.043 0.000 1.164 176 Y CB -0.281 38.271 38.460 0.153 0.000 0.982 176 Y HN 0.085 nan 8.280 nan 0.000 0.515 177 L N -0.484 120.746 121.223 0.012 0.000 2.017 177 L HA -0.246 4.095 4.340 0.001 0.000 0.208 177 L C 2.042 178.934 176.870 0.037 0.000 1.073 177 L CA 1.411 56.219 54.840 -0.053 0.000 0.745 177 L CB -0.584 41.344 42.059 -0.219 0.000 0.894 177 L HN 0.166 nan 8.230 nan 0.000 0.432 178 D N 0.400 120.847 120.400 0.078 0.000 2.116 178 D HA -0.212 4.428 4.640 0.001 0.000 0.193 178 D C 2.250 178.678 176.300 0.214 0.000 0.998 178 D CA 1.404 55.480 54.000 0.128 0.000 0.836 178 D CB -0.232 40.660 40.800 0.153 0.000 0.951 178 D HN 0.302 nan 8.370 nan 0.000 0.449 179 I N 0.971 121.695 120.570 0.255 0.000 2.264 179 I HA -0.269 3.901 4.170 0.001 0.000 0.248 179 I C 1.688 177.802 176.117 -0.005 0.000 1.111 179 I CA 1.204 62.564 61.300 0.099 0.000 1.382 179 I CB -0.109 37.760 38.000 -0.218 0.000 1.060 179 I HN -0.099 nan 8.210 nan 0.000 0.418 180 D N 0.161 120.588 120.400 0.045 0.000 2.183 180 D HA -0.146 4.494 4.640 0.001 0.000 0.203 180 D C 2.226 178.675 176.300 0.249 0.000 0.969 180 D CA 0.786 54.887 54.000 0.169 0.000 0.842 180 D CB -0.123 40.823 40.800 0.245 0.000 0.957 180 D HN 0.358 nan 8.370 nan 0.000 0.484 181 Q N -0.060 119.830 119.800 0.151 0.000 2.002 181 Q HA -0.201 4.140 4.340 0.001 0.000 0.204 181 Q C 2.235 178.304 176.000 0.115 0.000 0.988 181 Q CA 1.286 57.165 55.803 0.126 0.000 0.843 181 Q CB -0.233 28.544 28.738 0.065 0.000 0.908 181 Q HN 0.325 nan 8.270 nan 0.000 0.420 182 M N 0.493 120.147 119.600 0.090 0.000 2.073 182 M HA -0.251 4.230 4.480 0.001 0.000 0.258 182 M C 2.029 178.338 176.300 0.014 0.000 1.070 182 M CA 1.770 57.111 55.300 0.068 0.000 1.103 182 M CB -0.190 32.485 32.600 0.125 0.000 1.321 182 M HN 0.193 nan 8.290 nan 0.000 0.405 183 I N -0.500 120.035 120.570 -0.058 0.000 2.163 183 I HA -0.304 3.867 4.170 0.001 0.000 0.243 183 I C 1.883 177.847 176.117 -0.255 0.000 1.085 183 I CA 1.544 62.700 61.300 -0.240 0.000 1.347 183 I CB -0.367 37.345 38.000 -0.480 0.000 1.044 183 I HN 0.272 nan 8.210 nan 0.000 0.408 184 F N 0.364 120.321 119.950 0.013 0.000 2.387 184 F HA -0.014 4.513 4.527 0.001 0.000 0.294 184 F C 2.247 178.085 175.800 0.063 0.000 1.093 184 F CA 0.632 58.661 58.000 0.048 0.000 1.420 184 F CB -0.433 38.593 39.000 0.044 0.000 1.086 184 F HN 0.052 nan 8.300 nan 0.000 0.531 185 N N 0.388 119.214 118.700 0.209 0.000 2.178 185 N HA -0.007 4.734 4.740 0.001 0.000 0.189 185 N C 1.848 177.409 175.510 0.085 0.000 1.048 185 N CA 1.043 54.171 53.050 0.130 0.000 0.855 185 N CB -0.610 37.932 38.487 0.091 0.000 1.028 185 N HN 0.124 nan 8.380 nan 0.000 0.441 186 R N 0.502 121.035 120.500 0.055 0.000 2.148 186 R HA 0.079 4.420 4.340 0.001 0.000 0.223 186 R C 1.455 177.762 176.300 0.011 0.000 1.088 186 R CA 0.892 57.010 56.100 0.030 0.000 0.985 186 R CB 0.205 30.521 30.300 0.026 0.000 0.880 186 R HN 0.306 nan 8.270 nan 0.000 0.451 187 E N 0.091 120.283 120.200 -0.013 0.000 2.290 187 E HA 0.057 4.407 4.350 0.001 0.000 0.195 187 E C 2.063 178.610 176.600 -0.088 0.000 0.938 187 E CA 0.239 56.607 56.400 -0.053 0.000 1.018 187 E CB -0.261 29.392 29.700 -0.079 0.000 1.042 187 E HN 0.142 nan 8.360 nan 0.000 0.483 188 L N 1.583 122.728 121.223 -0.130 0.000 2.127 188 L HA -0.130 4.210 4.340 0.001 0.000 0.211 188 L C -0.639 176.118 176.870 -0.189 0.000 1.089 188 L CA 1.252 55.962 54.840 -0.217 0.000 0.757 188 L CB -1.394 40.501 42.059 -0.274 0.000 0.899 188 L HN 0.106 nan 8.230 nan 0.000 0.434 189 P HA -0.200 nan 4.420 nan 0.000 0.218 189 P C 1.304 178.610 177.300 0.010 0.000 1.148 189 P CA 1.167 64.316 63.100 0.081 0.000 0.822 189 P CB -0.032 31.749 31.700 0.135 0.000 0.784 190 Q N -1.033 118.748 119.800 -0.031 0.000 2.368 190 Q HA -0.074 4.266 4.340 0.001 0.000 0.210 190 Q C 1.388 177.340 176.000 -0.081 0.000 0.982 190 Q CA 1.309 57.087 55.803 -0.043 0.000 0.884 190 Q CB -0.389 28.320 28.738 -0.049 0.000 0.933 190 Q HN 0.218 nan 8.270 nan 0.000 0.460 191 A N 0.176 122.910 122.820 -0.144 0.000 2.589 191 A HA 0.129 4.450 4.320 0.001 0.000 0.283 191 A C 1.688 179.148 177.584 -0.206 0.000 1.187 191 A CA 0.077 51.993 52.037 -0.203 0.000 0.957 191 A CB 0.176 18.988 19.000 -0.312 0.000 1.175 191 A HN 0.270 nan 8.150 nan 0.000 0.532 192 S N -0.562 115.078 115.700 -0.100 0.000 2.440 192 S HA -0.094 4.376 4.470 0.001 0.000 0.238 192 S C 1.871 176.621 174.600 0.249 0.000 1.010 192 S CA 1.507 59.747 58.200 0.067 0.000 0.972 192 S CB -0.697 62.733 63.200 0.383 0.000 0.774 192 S HN 0.675 nan 8.310 nan 0.000 0.501 193 G N 2.236 111.109 108.800 0.122 0.000 2.453 193 G HA2 -0.130 3.830 3.960 0.001 0.000 0.215 193 G HA3 -0.130 3.830 3.960 0.001 0.000 0.215 193 G C 1.306 176.306 174.900 0.167 0.000 1.201 193 G CA 0.990 46.200 45.100 0.184 0.000 0.784 193 G HN 0.485 nan 8.290 nan 0.000 0.545 194 L N 0.781 121.912 121.223 -0.153 0.000 1.990 194 L HA -0.029 4.311 4.340 0.001 0.000 0.213 194 L C 2.796 179.410 176.870 -0.427 0.000 1.072 194 L CA 1.592 55.941 54.840 -0.819 0.000 0.755 194 L CB -0.715 40.779 42.059 -0.942 0.000 0.889 194 L HN 0.251 nan 8.230 nan 0.000 0.432 195 L N -1.267 119.764 121.223 -0.319 0.000 2.042 195 L HA -0.282 4.058 4.340 0.001 0.000 0.210 195 L C 2.542 179.363 176.870 -0.083 0.000 1.076 195 L CA 1.545 56.222 54.840 -0.273 0.000 0.749 195 L CB -0.874 40.858 42.059 -0.543 0.000 0.893 195 L HN 0.407 nan 8.230 nan 0.000 0.432 196 H N -2.052 117.035 119.070 0.028 0.000 2.421 196 H HA -0.185 4.371 4.556 0.001 0.000 0.298 196 H C 2.288 177.617 175.328 0.002 0.000 1.087 196 H CA 1.646 57.744 56.048 0.083 0.000 1.330 196 H CB -0.053 29.785 29.762 0.126 0.000 1.388 196 H HN 0.334 nan 8.280 nan 0.000 0.526 197 H N -0.540 118.530 119.070 -0.001 0.000 2.436 197 H HA -0.068 4.489 4.556 0.001 0.000 0.294 197 H C 1.711 176.934 175.328 -0.175 0.000 1.048 197 H CA 1.500 57.518 56.048 -0.049 0.000 1.353 197 H CB 0.256 30.037 29.762 0.031 0.000 1.414 197 H HN 0.580 nan 8.280 nan 0.000 0.536 198 C N -1.664 117.475 119.300 -0.268 0.000 2.935 198 C HA 0.358 4.819 4.460 0.001 0.000 0.308 198 C C 1.712 176.547 174.990 -0.258 0.000 1.263 198 C CA -0.117 58.729 59.018 -0.288 0.000 1.738 198 C CB -0.596 27.043 27.740 -0.168 0.000 2.237 198 C HN 0.568 nan 8.230 nan 0.000 0.600 199 C N -0.756 118.400 119.300 -0.240 0.000 3.722 199 C HA 0.466 4.927 4.460 0.001 0.000 0.279 199 C C 0.303 175.494 174.990 0.335 0.000 1.819 199 C CA -0.545 58.557 59.018 0.140 0.000 1.744 199 C CB -2.064 25.724 27.740 0.080 0.000 3.247 199 C HN 0.555 nan 8.230 nan 0.000 0.549 200 F N -0.705 119.321 119.950 0.126 0.000 3.090 200 F HA -0.244 4.283 4.527 0.001 0.000 0.282 200 F C 0.541 176.370 175.800 0.049 0.000 0.923 200 F CA 0.413 58.451 58.000 0.064 0.000 0.977 200 F CB -2.453 36.558 39.000 0.018 0.000 0.954 200 F HN 0.482 nan 8.300 nan 0.000 0.695 201 Y N 1.291 121.541 120.300 -0.083 0.000 2.578 201 Y HA 0.461 5.011 4.550 0.001 0.000 0.339 201 Y C 0.349 176.048 175.900 -0.336 0.000 1.231 201 Y CA 0.328 58.301 58.100 -0.211 0.000 1.461 201 Y CB 0.376 38.624 38.460 -0.352 0.000 1.323 201 Y HN 0.358 nan 8.280 nan 0.000 0.590 207 N N 1.892 120.608 118.700 0.027 0.000 2.268 207 N HA 0.286 5.027 4.740 0.001 0.000 0.204 207 N C 0.013 175.634 175.510 0.185 0.000 1.124 207 N CA 0.221 53.321 53.050 0.084 0.000 0.838 207 N CB 0.494 39.042 38.487 0.102 0.000 0.994 207 N HN 0.581 nan 8.380 nan 0.000 0.489 208 L N 0.453 121.786 121.223 0.184 0.000 2.354 208 L HA 0.642 4.982 4.340 0.001 0.000 0.264 208 L C -0.515 176.492 176.870 0.228 0.000 1.008 208 L CA -1.368 53.629 54.840 0.260 0.000 0.819 208 L CB 2.304 44.588 42.059 0.374 0.000 1.339 208 L HN -0.105 nan 8.230 nan 0.000 0.420 209 V N -1.896 118.123 119.914 0.176 0.000 3.007 209 V HA 0.786 4.906 4.120 0.001 0.000 0.311 209 V C -0.239 175.957 176.094 0.170 0.000 1.120 209 V CA -0.604 61.746 62.300 0.083 0.000 0.980 209 V CB 1.739 33.375 31.823 -0.311 0.000 1.033 209 V HN 0.850 nan 8.190 nan 0.000 0.429 210 T N 1.021 115.699 114.554 0.207 0.000 2.895 210 T HA 0.757 5.107 4.350 0.001 0.000 0.283 210 T C -0.501 174.433 174.700 0.389 0.000 1.014 210 T CA -0.598 61.690 62.100 0.313 0.000 1.037 210 T CB 1.748 70.751 68.868 0.226 0.000 1.006 210 T HN 1.039 nan 8.240 nan 0.000 0.468 211 M N 2.658 122.633 119.600 0.625 0.000 2.259 211 M HA 0.368 4.849 4.480 0.001 0.000 0.304 211 M C 0.135 176.772 176.300 0.561 0.000 1.019 211 M CA -0.566 55.081 55.300 0.579 0.000 0.922 211 M CB 2.165 35.118 32.600 0.589 0.000 1.600 211 M HN 0.966 nan 8.290 nan 0.000 0.433 212 T N 2.358 117.192 114.554 0.466 0.000 2.734 212 T HA 0.378 4.728 4.350 0.001 0.000 0.314 212 T C 0.086 174.900 174.700 0.190 0.000 1.057 212 T CA 0.345 62.537 62.100 0.153 0.000 1.047 212 T CB 0.426 69.573 68.868 0.464 0.000 0.991 212 T HN 0.875 nan 8.240 nan 0.000 0.540 213 T N -0.760 113.826 114.554 0.053 0.000 2.742 213 T HA 0.857 5.208 4.350 0.001 0.000 0.282 213 T C -0.878 173.904 174.700 0.136 0.000 1.025 213 T CA -0.418 61.740 62.100 0.098 0.000 1.020 213 T CB 1.516 70.360 68.868 -0.040 0.000 1.317 213 T HN 1.072 nan 8.240 nan 0.000 0.538 214 A N 0.667 123.458 122.820 -0.048 0.000 2.601 214 A HA 0.865 5.186 4.320 0.001 0.000 0.291 214 A C -3.147 174.394 177.584 -0.072 0.000 1.075 214 A CA -1.524 50.545 52.037 0.053 0.000 0.671 214 A CB 0.801 19.963 19.000 0.270 0.000 1.277 214 A HN 0.732 nan 8.150 nan 0.000 0.417 215 P HA 0.341 nan 4.420 nan 0.000 0.277 215 P C -0.913 176.481 177.300 0.157 0.000 1.276 215 P CA -0.206 62.927 63.100 0.056 0.000 0.788 215 P CB 0.499 32.139 31.700 -0.099 0.000 1.114 216 R N 0.207 120.836 120.500 0.216 0.000 2.664 216 R HA 0.601 4.941 4.340 0.001 0.000 0.281 216 R C 0.517 176.923 176.300 0.177 0.000 1.383 216 R CA -0.296 55.895 56.100 0.152 0.000 1.563 216 R CB 0.182 30.520 30.300 0.063 0.000 1.131 216 R HN 0.877 nan 8.270 nan 0.000 0.599 217 G N 0.412 109.346 108.800 0.224 0.000 2.265 217 G HA2 -0.136 3.825 3.960 0.001 0.000 0.246 217 G HA3 -0.136 3.825 3.960 0.001 0.000 0.246 217 G C -0.318 174.655 174.900 0.123 0.000 1.299 217 G CA -0.923 44.227 45.100 0.083 0.000 1.117 217 G HN 0.294 nan 8.290 nan 0.000 0.485 218 L N 0.304 121.344 121.223 -0.305 0.000 3.259 218 L HA 0.555 4.895 4.340 0.001 0.000 0.292 218 L C 0.275 176.456 176.870 -1.148 0.000 1.219 218 L CA 0.269 54.895 54.840 -0.358 0.000 1.035 218 L CB 0.927 42.875 42.059 -0.186 0.000 1.424 218 L HN 0.754 nan 8.230 nan 0.000 0.603 219 Q N -0.036 118.505 119.800 -2.099 0.000 2.617 219 Q HA 0.177 4.517 4.340 0.001 0.000 0.270 219 Q C -1.098 174.178 176.000 -1.207 0.000 0.967 219 Q CA -0.274 54.564 55.803 -1.608 0.000 0.887 219 Q CB 1.976 30.268 28.738 -0.744 0.000 1.516 219 Q HN -0.013 nan 8.270 nan 0.000 0.395 220 S N 1.017 116.412 115.700 -0.509 0.000 2.546 220 S HA 0.433 4.903 4.470 0.001 0.000 0.290 220 S C 1.083 175.509 174.600 -0.289 0.000 1.290 220 S CA 1.992 60.179 58.200 -0.021 0.000 1.069 220 S CB -0.049 63.234 63.200 0.138 0.000 0.846 220 S HN 1.266 nan 8.310 nan 0.000 0.495 221 G N 4.463 112.940 108.800 -0.538 0.000 2.308 221 G HA2 -0.193 3.767 3.960 0.001 0.000 0.221 221 G HA3 -0.193 3.767 3.960 0.001 0.000 0.221 221 G C -0.218 174.377 174.900 -0.508 0.000 1.032 221 G CA 0.064 44.586 45.100 -0.963 0.000 0.623 221 G HN 0.701 nan 8.290 nan 0.000 0.506 222 D N 0.235 120.433 120.400 -0.338 0.000 2.400 222 D HA 0.501 5.142 4.640 0.001 0.000 0.238 222 D C 1.014 177.226 176.300 -0.146 0.000 1.157 222 D CA 0.349 54.204 54.000 -0.242 0.000 0.889 222 D CB 0.715 41.349 40.800 -0.277 0.000 1.199 222 D HN 0.447 nan 8.370 nan 0.000 0.436 223 R N 0.388 120.756 120.500 -0.220 0.000 2.593 223 R HA 0.474 4.814 4.340 0.001 0.000 0.258 223 R C -1.516 174.452 176.300 -0.553 0.000 1.410 223 R CA -0.314 55.573 56.100 -0.356 0.000 1.537 223 R CB 0.284 30.341 30.300 -0.405 0.000 1.362 223 R HN 0.402 nan 8.270 nan 0.000 0.734 224 A N 0.825 123.460 122.820 -0.307 0.000 2.288 224 A HA 0.632 4.953 4.320 0.001 0.000 0.320 224 A C -0.578 176.926 177.584 -0.133 0.000 1.217 224 A CA -0.366 51.520 52.037 -0.251 0.000 0.840 224 A CB 1.480 20.353 19.000 -0.212 0.000 1.179 224 A HN 0.269 nan 8.150 nan 0.000 0.504 225 T N 2.231 116.767 114.554 -0.029 0.000 2.812 225 T HA 0.377 4.728 4.350 0.001 0.000 0.282 225 T C -0.755 173.896 174.700 -0.082 0.000 0.990 225 T CA -0.044 62.052 62.100 -0.007 0.000 0.960 225 T CB 0.457 69.367 68.868 0.069 0.000 0.948 225 T HN 0.599 nan 8.240 nan 0.000 0.438 226 W N 2.826 124.076 121.300 -0.083 0.000 2.253 226 W HA 0.499 5.159 4.660 0.001 0.000 0.322 226 W C -0.461 175.954 176.519 -0.174 0.000 1.342 226 W CA -0.472 56.857 57.345 -0.026 0.000 1.218 226 W CB 0.329 29.773 29.460 -0.026 0.000 1.205 226 W HN 0.518 nan 8.180 nan 0.000 0.551 227 F N 2.472 122.651 119.950 0.380 0.000 2.493 227 F HA 0.520 5.047 4.527 0.001 0.000 0.329 227 F C 0.920 176.889 175.800 0.282 0.000 1.126 227 F CA -0.931 57.253 58.000 0.306 0.000 0.937 227 F CB 1.149 40.275 39.000 0.210 0.000 1.146 227 F HN 0.324 nan 8.300 nan 0.000 0.442 228 G N 3.268 112.340 108.800 0.453 0.000 2.537 228 G HA2 0.561 4.521 3.960 0.001 0.000 0.273 228 G HA3 0.561 4.521 3.960 0.001 0.000 0.273 228 G C -1.241 173.701 174.900 0.070 0.000 1.189 228 G CA -0.485 44.765 45.100 0.251 0.000 0.881 228 G HN 0.425 nan 8.290 nan 0.000 0.535 229 L N 0.626 121.615 121.223 -0.390 0.000 2.362 229 L HA 0.519 4.860 4.340 0.001 0.000 0.275 229 L C -1.153 175.359 176.870 -0.597 0.000 0.998 229 L CA -0.666 53.994 54.840 -0.300 0.000 0.820 229 L CB 1.400 43.324 42.059 -0.225 0.000 1.270 229 L HN 0.573 nan 8.230 nan 0.000 0.415 230 Y N 1.246 121.522 120.300 -0.041 0.000 2.553 230 Y HA 0.420 4.970 4.550 0.001 0.000 0.347 230 Y C -0.402 175.501 175.900 0.005 0.000 1.019 230 Y CA -1.083 57.013 58.100 -0.006 0.000 1.032 230 Y CB 1.571 40.166 38.460 0.225 0.000 1.284 230 Y HN 0.273 nan 8.280 nan 0.000 0.466 231 Y N 1.408 121.883 120.300 0.291 0.000 2.632 231 Y HA -0.053 4.498 4.550 0.001 0.000 0.329 231 Y C 0.929 176.907 175.900 0.130 0.000 1.174 231 Y CA -0.443 57.771 58.100 0.190 0.000 1.469 231 Y CB 0.024 38.596 38.460 0.185 0.000 1.242 231 Y HN 0.505 nan 8.280 nan 0.000 0.540 232 N N 4.526 123.358 118.700 0.219 0.000 2.814 232 N HA -0.018 4.722 4.740 0.001 0.000 0.304 232 N C -0.508 175.055 175.510 0.089 0.000 1.211 232 N CA 0.038 53.125 53.050 0.061 0.000 1.158 232 N CB -0.511 37.974 38.487 -0.004 0.000 1.458 232 N HN 0.387 nan 8.380 nan 0.000 0.519 233 I N 0.626 121.283 120.570 0.145 0.000 2.813 233 I HA -0.068 4.103 4.170 0.001 0.000 0.287 233 I C 0.854 177.021 176.117 0.083 0.000 1.196 233 I CA 0.194 61.563 61.300 0.116 0.000 1.421 233 I CB 0.517 38.603 38.000 0.142 0.000 1.365 233 I HN 0.303 nan 8.210 nan 0.000 0.591 234 S N 3.379 119.117 115.700 0.063 0.000 2.429 234 S HA 0.526 4.997 4.470 0.001 0.000 0.302 234 S C 0.725 175.361 174.600 0.060 0.000 1.115 234 S CA 0.192 58.417 58.200 0.041 0.000 1.095 234 S CB 0.722 63.928 63.200 0.009 0.000 0.987 234 S HN 1.034 nan 8.310 nan 0.000 0.474 235 G N 2.867 111.700 108.800 0.056 0.000 2.153 235 G HA2 0.019 3.979 3.960 0.001 0.000 0.252 235 G HA3 0.019 3.979 3.960 0.001 0.000 0.252 235 G C 0.137 175.111 174.900 0.125 0.000 0.994 235 G CA 0.249 45.391 45.100 0.071 0.000 0.698 235 G HN 1.421 nan 8.290 nan 0.000 0.521 236 A N -1.664 121.238 122.820 0.138 0.000 2.599 236 A HA 0.925 5.245 4.320 0.001 0.000 0.290 236 A C 0.366 177.974 177.584 0.039 0.000 1.101 236 A CA 0.391 52.539 52.037 0.185 0.000 0.674 236 A CB 0.406 19.546 19.000 0.233 0.000 1.277 236 A HN 1.874 nan 8.150 nan 0.000 0.419 237 G N -0.334 108.340 108.800 -0.210 0.000 2.365 237 G HA2 0.429 4.390 3.960 0.001 0.000 0.249 237 G HA3 0.429 4.390 3.960 0.001 0.000 0.249 237 G C 0.447 175.041 174.900 -0.509 0.000 1.288 237 G CA 0.369 44.931 45.100 -0.898 0.000 0.887 237 G HN 1.333 nan 8.290 nan 0.000 0.524 238 F N 1.240 120.810 119.950 -0.634 0.000 2.416 238 F HA 0.169 4.697 4.527 0.001 0.000 0.296 238 F C 1.735 177.279 175.800 -0.426 0.000 1.099 238 F CA -0.167 57.613 58.000 -0.367 0.000 1.427 238 F CB -0.562 38.195 39.000 -0.406 0.000 1.079 238 F HN 0.338 nan 8.300 nan 0.000 0.536 239 F N 1.529 120.905 119.950 -0.957 0.000 2.287 239 F HA -0.139 4.389 4.527 0.001 0.000 0.301 239 F C 1.707 177.307 175.800 -0.333 0.000 1.069 239 F CA 1.012 58.529 58.000 -0.805 0.000 1.372 239 F CB -1.021 37.504 39.000 -0.793 0.000 1.056 239 F HN 0.067 nan 8.300 nan 0.000 0.523 240 L N -0.248 120.807 121.223 -0.281 0.000 2.629 240 L HA 0.064 4.404 4.340 0.001 0.000 0.230 240 L C 0.130 176.604 176.870 -0.658 0.000 1.151 240 L CA 0.251 54.829 54.840 -0.438 0.000 0.924 240 L CB -0.408 41.291 42.059 -0.601 0.000 1.137 240 L HN 0.239 nan 8.230 nan 0.000 0.457 241 H N -1.385 117.821 119.070 0.226 0.000 2.716 241 H HA 0.190 4.747 4.556 0.001 0.000 0.230 241 H C -0.369 175.195 175.328 0.394 0.000 1.401 241 H CA -0.363 55.852 56.048 0.279 0.000 1.168 241 H CB 0.152 30.060 29.762 0.243 0.000 1.935 241 H HN 0.150 nan 8.280 nan 0.000 0.538 242 H N 2.052 121.324 119.070 0.337 0.000 2.929 242 H HA 0.035 4.592 4.556 0.001 0.000 0.317 242 H C 1.252 176.528 175.328 -0.087 0.000 1.031 242 H CA 0.187 56.191 56.048 -0.073 0.000 1.466 242 H CB 1.421 31.174 29.762 -0.015 0.000 1.482 242 H HN 0.277 nan 8.280 nan 0.000 0.561 243 V N 2.182 121.759 119.914 -0.561 0.000 3.306 243 V HA 0.184 4.305 4.120 0.001 0.000 0.264 243 V C 1.386 177.166 176.094 -0.524 0.000 1.149 243 V CA 0.860 62.858 62.300 -0.503 0.000 1.143 243 V CB -0.015 31.475 31.823 -0.555 0.000 0.767 243 V HN 1.008 nan 8.190 nan 0.000 0.476 244 G N 0.020 108.454 108.800 -0.609 0.000 2.148 244 G HA2 -0.155 3.806 3.960 0.001 0.000 0.203 244 G HA3 -0.155 3.806 3.960 0.001 0.000 0.203 244 G C -0.524 174.197 174.900 -0.299 0.000 0.993 244 G CA 0.088 44.941 45.100 -0.411 0.000 0.661 244 G HN 0.802 nan 8.290 nan 0.000 0.518 245 L N 0.869 121.909 121.223 -0.306 0.000 2.381 245 L HA 0.865 5.206 4.340 0.001 0.000 0.274 245 L C -0.484 176.409 176.870 0.039 0.000 0.988 245 L CA -0.831 54.007 54.840 -0.004 0.000 0.824 245 L CB 1.462 43.527 42.059 0.011 0.000 1.263 245 L HN 0.221 nan 8.230 nan 0.000 0.410 246 E N 5.457 125.820 120.200 0.272 0.000 2.288 246 E HA 0.662 5.013 4.350 0.001 0.000 0.268 246 E C -1.521 175.394 176.600 0.525 0.000 0.885 246 E CA -0.815 55.822 56.400 0.395 0.000 0.767 246 E CB 2.635 32.561 29.700 0.378 0.000 1.220 246 E HN 0.486 nan 8.360 nan 0.000 0.427 247 L N 2.360 123.870 121.223 0.479 0.000 2.409 247 L HA 0.370 4.711 4.340 0.001 0.000 0.272 247 L C -1.023 175.869 176.870 0.036 0.000 0.980 247 L CA -1.077 53.912 54.840 0.247 0.000 0.826 247 L CB 1.503 43.632 42.059 0.117 0.000 1.268 247 L HN 0.324 nan 8.230 nan 0.000 0.407 248 L N 4.850 125.790 121.223 -0.473 0.000 2.334 248 L HA 0.316 4.656 4.340 0.001 0.000 0.286 248 L C -0.318 176.376 176.870 -0.293 0.000 1.108 248 L CA 0.086 54.428 54.840 -0.829 0.000 0.875 248 L CB 0.865 42.075 42.059 -1.415 0.000 1.246 248 L HN 0.297 nan 8.230 nan 0.000 0.439 249 V N 4.954 124.837 119.914 -0.051 0.000 2.461 249 V HA 0.262 4.383 4.120 0.001 0.000 0.275 249 V C 0.380 176.475 176.094 0.002 0.000 1.047 249 V CA -0.643 61.686 62.300 0.048 0.000 0.955 249 V CB 1.154 33.093 31.823 0.194 0.000 0.988 249 V HN 0.744 nan 8.190 nan 0.000 0.471 250 N N 3.988 122.646 118.700 -0.070 0.000 2.469 250 N HA 0.165 4.905 4.740 0.001 0.000 0.239 250 N C 0.187 175.535 175.510 -0.270 0.000 1.053 250 N CA -0.448 52.501 53.050 -0.168 0.000 0.937 250 N CB 0.348 38.767 38.487 -0.114 0.000 1.163 250 N HN 0.843 nan 8.380 nan 0.000 0.509 251 H N 0.962 119.696 119.070 -0.560 0.000 2.490 251 H HA 0.323 4.880 4.556 0.001 0.000 0.285 251 H C 1.122 176.020 175.328 -0.717 0.000 1.127 251 H CA -0.588 54.661 56.048 -1.332 0.000 0.993 251 H CB 0.561 29.258 29.762 -1.775 0.000 1.653 251 H HN 0.384 nan 8.280 nan 0.000 0.557 252 K N 1.131 121.315 120.400 -0.361 0.000 2.103 252 K HA 0.137 4.457 4.320 0.001 0.000 0.204 252 K C 0.889 177.579 176.600 0.150 0.000 1.052 252 K CA 0.587 56.805 56.287 -0.115 0.000 0.945 252 K CB -0.056 32.380 32.500 -0.108 0.000 0.722 252 K HN 0.430 nan 8.250 nan 0.000 0.443 253 A N 1.415 124.416 122.820 0.302 0.000 2.540 253 A HA 0.017 4.337 4.320 0.001 0.000 0.239 253 A C 1.015 178.876 177.584 0.462 0.000 1.061 253 A CA 0.034 52.290 52.037 0.365 0.000 0.758 253 A CB 0.071 19.295 19.000 0.373 0.000 0.991 253 A HN 0.410 nan 8.150 nan 0.000 0.502 254 L N 0.711 122.089 121.223 0.259 0.000 2.265 254 L HA -0.081 4.259 4.340 0.001 0.000 0.215 254 L C 0.702 177.638 176.870 0.111 0.000 1.117 254 L CA 0.962 55.931 54.840 0.215 0.000 0.782 254 L CB -0.181 41.947 42.059 0.115 0.000 0.914 254 L HN 0.747 nan 8.230 nan 0.000 0.441 255 D N -0.412 120.004 120.400 0.027 0.000 2.427 255 D HA 0.159 4.800 4.640 0.001 0.000 0.226 255 D C -1.738 174.305 176.300 -0.429 0.000 1.076 255 D CA -2.466 51.452 54.000 -0.137 0.000 0.849 255 D CB 1.555 42.306 40.800 -0.082 0.000 1.052 255 D HN -0.209 nan 8.370 nan 0.000 0.515 256 P HA -0.197 nan 4.420 nan 0.000 0.218 256 P C 1.090 177.892 177.300 -0.829 0.000 1.146 256 P CA 1.505 63.582 63.100 -1.705 0.000 0.820 256 P CB 0.196 31.096 31.700 -1.334 0.000 0.778 257 A N 0.080 122.649 122.820 -0.417 0.000 1.917 257 A HA -0.255 4.066 4.320 0.001 0.000 0.219 257 A C 2.196 179.717 177.584 -0.105 0.000 1.182 257 A CA 1.808 53.726 52.037 -0.197 0.000 0.633 257 A CB -1.163 17.762 19.000 -0.126 0.000 0.819 257 A HN 0.152 nan 8.150 nan 0.000 0.448 258 R N -1.882 118.566 120.500 -0.087 0.000 2.316 258 R HA -0.061 4.280 4.340 0.001 0.000 0.202 258 R C -0.360 176.065 176.300 0.208 0.000 1.029 258 R CA -0.028 56.102 56.100 0.050 0.000 1.018 258 R CB -0.040 30.299 30.300 0.065 0.000 0.888 258 R HN 0.599 nan 8.270 nan 0.000 0.471 259 W N 1.859 123.175 121.300 0.026 0.000 2.193 259 W HA 0.042 4.702 4.660 0.001 0.000 0.338 259 W C 1.009 177.538 176.519 0.016 0.000 1.310 259 W CA -0.342 57.023 57.345 0.034 0.000 1.243 259 W CB -0.038 29.457 29.460 0.057 0.000 1.165 259 W HN -0.025 nan 8.180 nan 0.000 0.566 260 T N 0.038 114.727 114.554 0.226 0.000 2.864 260 T HA 0.763 5.113 4.350 0.001 0.000 0.289 260 T C -0.781 173.954 174.700 0.058 0.000 1.082 260 T CA -0.977 61.189 62.100 0.110 0.000 1.009 260 T CB 1.755 70.664 68.868 0.068 0.000 1.234 260 T HN 0.223 nan 8.240 nan 0.000 0.526 261 I N 2.215 122.799 120.570 0.025 0.000 2.359 261 I HA 0.232 4.403 4.170 0.001 0.000 0.284 261 I C 1.310 177.410 176.117 -0.029 0.000 1.018 261 I CA -0.647 60.645 61.300 -0.013 0.000 1.173 261 I CB 1.731 39.726 38.000 -0.008 0.000 1.326 261 I HN 0.794 nan 8.210 nan 0.000 0.462 262 Q N 3.970 123.725 119.800 -0.075 0.000 2.172 262 Q HA 0.056 4.396 4.340 0.001 0.000 0.200 262 Q C 0.143 176.123 176.000 -0.033 0.000 0.964 262 Q CA 0.970 56.732 55.803 -0.067 0.000 0.855 262 Q CB 0.425 29.096 28.738 -0.112 0.000 0.918 262 Q HN 0.419 nan 8.270 nan 0.000 0.444 263 K N -0.471 119.893 120.400 -0.060 0.000 2.579 263 K HA 0.475 4.796 4.320 0.001 0.000 0.284 263 K C -1.646 175.047 176.600 0.156 0.000 0.990 263 K CA -0.559 55.786 56.287 0.097 0.000 0.880 263 K CB 2.602 35.236 32.500 0.222 0.000 1.488 263 K HN -0.227 nan 8.250 nan 0.000 0.425 264 V N 1.873 122.007 119.914 0.365 0.000 2.686 264 V HA 0.483 4.604 4.120 0.001 0.000 0.306 264 V C -1.208 175.192 176.094 0.509 0.000 1.065 264 V CA -0.913 61.622 62.300 0.392 0.000 0.894 264 V CB 1.831 33.804 31.823 0.250 0.000 1.004 264 V HN 0.688 nan 8.190 nan 0.000 0.424 265 F N 5.223 125.353 119.950 0.299 0.000 2.458 265 F HA 0.748 5.275 4.527 0.001 0.000 0.336 265 F C -1.210 174.674 175.800 0.140 0.000 1.114 265 F CA -0.688 57.317 58.000 0.009 0.000 0.987 265 F CB 1.462 40.261 39.000 -0.335 0.000 1.130 265 F HN 0.530 nan 8.300 nan 0.000 0.458 266 Y N 5.176 125.169 120.300 -0.511 0.000 2.386 266 Y HA 0.253 4.803 4.550 0.001 0.000 0.334 266 Y C -0.088 175.458 175.900 -0.590 0.000 1.002 266 Y CA -1.037 56.833 58.100 -0.384 0.000 1.068 266 Y CB 1.326 39.643 38.460 -0.239 0.000 1.203 266 Y HN 0.752 nan 8.280 nan 0.000 0.443 267 Q N 4.632 123.799 119.800 -1.056 0.000 2.372 267 Q HA -0.286 4.054 4.340 0.001 0.000 0.333 267 Q C 1.016 176.572 176.000 -0.740 0.000 1.285 267 Q CA 1.487 56.803 55.803 -0.811 0.000 0.983 267 Q CB -1.401 26.676 28.738 -1.101 0.000 1.229 267 Q HN 1.301 nan 8.270 nan 0.000 0.442 268 G N -0.956 107.139 108.800 -1.175 0.000 2.218 268 G HA2 -0.243 3.717 3.960 0.001 0.000 0.216 268 G HA3 -0.243 3.717 3.960 0.001 0.000 0.216 268 G C 0.073 174.413 174.900 -0.933 0.000 0.994 268 G CA 0.082 44.316 45.100 -1.443 0.000 0.637 268 G HN 0.311 nan 8.290 nan 0.000 0.505 269 R N -0.989 118.886 120.500 -1.041 0.000 2.867 269 R HA 0.706 5.047 4.340 0.001 0.000 0.268 269 R C -1.147 174.803 176.300 -0.584 0.000 1.014 269 R CA -0.829 54.944 56.100 -0.545 0.000 0.946 269 R CB 1.346 31.438 30.300 -0.347 0.000 1.208 269 R HN 0.171 nan 8.270 nan 0.000 0.477 270 Y N -0.246 119.773 120.300 -0.469 0.000 2.549 270 Y HA 0.531 5.082 4.550 0.001 0.000 0.339 270 Y C -0.630 174.938 175.900 -0.554 0.000 1.053 270 Y CA -0.785 57.197 58.100 -0.195 0.000 1.105 270 Y CB 1.926 40.437 38.460 0.085 0.000 1.258 270 Y HN 0.407 nan 8.280 nan 0.000 0.478 271 Y N -0.795 119.660 120.300 0.257 0.000 2.597 271 Y HA 0.195 4.746 4.550 0.001 0.000 0.340 271 Y C 0.154 176.136 175.900 0.137 0.000 1.097 271 Y CA -1.247 56.936 58.100 0.138 0.000 1.037 271 Y CB 1.448 39.943 38.460 0.059 0.000 1.305 271 Y HN 0.568 nan 8.280 nan 0.000 0.463 272 D N 0.224 120.765 120.400 0.234 0.000 2.323 272 D HA 0.024 4.665 4.640 0.001 0.000 0.209 272 D C 0.230 176.596 176.300 0.109 0.000 0.973 272 D CA 0.995 55.080 54.000 0.141 0.000 0.874 272 D CB 0.455 41.309 40.800 0.089 0.000 0.930 272 D HN 0.400 nan 8.370 nan 0.000 0.521 273 S N -1.343 114.424 115.700 0.112 0.000 2.615 273 S HA 0.289 4.760 4.470 0.001 0.000 0.268 273 S C 0.323 174.923 174.600 0.000 0.000 1.146 273 S CA -0.801 57.427 58.200 0.046 0.000 0.818 273 S CB 0.989 64.206 63.200 0.027 0.000 1.111 273 S HN -0.063 nan 8.310 nan 0.000 0.465 274 L N 1.188 122.384 121.223 -0.044 0.000 2.072 274 L HA 0.148 4.489 4.340 0.001 0.000 0.205 274 L C 3.066 179.868 176.870 -0.114 0.000 1.079 274 L CA 1.621 56.395 54.840 -0.111 0.000 0.752 274 L CB -0.937 41.050 42.059 -0.119 0.000 0.906 274 L HN 0.973 nan 8.230 nan 0.000 0.436 275 A N -0.667 122.114 122.820 -0.064 0.000 1.884 275 A HA -0.324 3.997 4.320 0.001 0.000 0.219 275 A C 2.248 179.804 177.584 -0.047 0.000 1.197 275 A CA 1.884 53.893 52.037 -0.047 0.000 0.637 275 A CB -0.659 18.328 19.000 -0.021 0.000 0.827 275 A HN 0.394 nan 8.150 nan 0.000 0.450 276 Q N -0.949 118.837 119.800 -0.023 0.000 1.998 276 Q HA -0.220 4.120 4.340 0.001 0.000 0.209 276 Q C 2.158 178.113 176.000 -0.074 0.000 1.002 276 Q CA 1.967 57.774 55.803 0.007 0.000 0.858 276 Q CB -0.850 27.943 28.738 0.093 0.000 0.932 276 Q HN 0.602 nan 8.270 nan 0.000 0.416 277 L N 1.304 122.386 121.223 -0.236 0.000 2.013 277 L HA -0.199 4.141 4.340 0.001 0.000 0.212 277 L C 2.189 178.853 176.870 -0.343 0.000 1.073 277 L CA 2.277 56.766 54.840 -0.585 0.000 0.753 277 L CB -1.013 40.586 42.059 -0.767 0.000 0.890 277 L HN 0.170 nan 8.230 nan 0.000 0.432 278 E N 0.146 120.215 120.200 -0.218 0.000 2.017 278 E HA -0.165 4.186 4.350 0.001 0.000 0.193 278 E C 2.149 178.744 176.600 -0.010 0.000 0.997 278 E CA 1.692 58.037 56.400 -0.091 0.000 0.804 278 E CB -0.760 28.893 29.700 -0.078 0.000 0.757 278 E HN 0.518 nan 8.360 nan 0.000 0.448 279 A N 0.965 123.764 122.820 -0.036 0.000 1.882 279 A HA -0.365 3.956 4.320 0.001 0.000 0.220 279 A C 2.226 179.800 177.584 -0.016 0.000 1.253 279 A CA 2.713 54.736 52.037 -0.023 0.000 0.664 279 A CB -1.066 17.924 19.000 -0.015 0.000 0.838 279 A HN 0.501 nan 8.150 nan 0.000 0.460 280 Q N -2.443 117.354 119.800 -0.005 0.000 2.291 280 Q HA -0.095 4.245 4.340 0.001 0.000 0.205 280 Q C 1.871 177.895 176.000 0.041 0.000 0.970 280 Q CA 1.260 57.080 55.803 0.027 0.000 0.876 280 Q CB -0.205 28.587 28.738 0.089 0.000 0.935 280 Q HN 0.779 nan 8.270 nan 0.000 0.455 281 F N 1.944 121.812 119.950 -0.137 0.000 2.074 281 F HA -0.105 4.423 4.527 0.001 0.000 0.293 281 F C 1.838 177.568 175.800 -0.116 0.000 1.116 281 F CA 1.499 59.414 58.000 -0.141 0.000 1.212 281 F CB -0.211 38.669 39.000 -0.200 0.000 0.998 281 F HN -0.061 nan 8.300 nan 0.000 0.471 282 E N 0.485 120.540 120.200 -0.242 0.000 2.086 282 E HA -0.280 4.070 4.350 0.001 0.000 0.200 282 E C 2.138 178.593 176.600 -0.241 0.000 1.012 282 E CA 1.519 57.739 56.400 -0.301 0.000 0.812 282 E CB -0.576 29.044 29.700 -0.135 0.000 0.743 282 E HN 0.480 nan 8.360 nan 0.000 0.453 283 A N -0.107 122.632 122.820 -0.135 0.000 2.225 283 A HA 0.092 4.412 4.320 0.001 0.000 0.215 283 A C 1.731 179.259 177.584 -0.094 0.000 1.164 283 A CA 1.148 53.132 52.037 -0.088 0.000 0.710 283 A CB -0.460 18.518 19.000 -0.037 0.000 0.780 283 A HN 0.415 nan 8.150 nan 0.000 0.473 284 G N -2.982 105.730 108.800 -0.146 0.000 2.138 284 G HA2 -0.152 3.808 3.960 0.001 0.000 0.193 284 G HA3 -0.152 3.808 3.960 0.001 0.000 0.193 284 G C 0.438 175.301 174.900 -0.062 0.000 0.998 284 G CA 0.454 45.471 45.100 -0.139 0.000 0.668 284 G HN 0.795 nan 8.290 nan 0.000 0.516 285 L N -0.265 120.952 121.223 -0.011 0.000 2.614 285 L HA 0.535 4.875 4.340 0.001 0.000 0.185 285 L C 1.756 178.692 176.870 0.110 0.000 1.098 285 L CA 0.817 55.688 54.840 0.050 0.000 0.852 285 L CB 0.185 42.282 42.059 0.064 0.000 1.213 285 L HN 0.158 nan 8.230 nan 0.000 0.491 286 V N 4.135 124.147 119.914 0.163 0.000 1.983 286 V HA -0.010 4.111 4.120 0.001 0.000 0.237 286 V C 0.396 176.649 176.094 0.264 0.000 1.601 286 V CA 0.040 62.464 62.300 0.207 0.000 1.566 286 V CB -2.077 29.825 31.823 0.132 0.000 1.557 286 V HN 0.506 nan 8.190 nan 0.000 0.500 287 N N 2.909 121.733 118.700 0.207 0.000 2.513 287 N HA 0.145 4.886 4.740 0.001 0.000 0.268 287 N C -0.716 174.913 175.510 0.198 0.000 1.180 287 N CA -0.037 53.143 53.050 0.216 0.000 0.948 287 N CB 1.768 40.340 38.487 0.142 0.000 1.083 287 N HN 0.213 nan 8.380 nan 0.000 0.455 288 V N 1.285 121.340 119.914 0.234 0.000 2.628 288 V HA 0.625 4.746 4.120 0.001 0.000 0.306 288 V C 0.576 176.722 176.094 0.085 0.000 1.045 288 V CA -1.126 61.263 62.300 0.148 0.000 0.905 288 V CB 1.099 33.008 31.823 0.144 0.000 0.997 288 V HN 0.632 nan 8.190 nan 0.000 0.436 289 V N 3.400 123.311 119.914 -0.006 0.000 2.350 289 V HA 0.820 4.941 4.120 0.001 0.000 0.276 289 V C 0.223 176.261 176.094 -0.092 0.000 1.028 289 V CA -0.583 61.707 62.300 -0.017 0.000 0.860 289 V CB 1.315 nan 31.823 nan 0.000 0.990 289 V HN 1.189 nan 8.190 nan 0.000 0.453 290 L N 4.968 126.156 121.223 -0.059 0.000 2.385 290 L HA 0.774 5.115 4.340 0.001 0.000 0.281 290 L C 0.624 177.560 176.870 0.110 0.000 1.106 290 L CA 0.294 55.104 54.840 -0.050 0.000 0.856 290 L CB -0.175 41.805 42.059 -0.132 0.000 1.186 290 L HN 1.787 nan 8.230 nan 0.000 0.453 291 I N 3.321 123.990 120.570 0.164 0.000 2.452 291 I HA 0.619 4.790 4.170 0.001 0.000 0.287 291 I C -1.411 175.083 176.117 0.627 0.000 1.079 291 I CA -2.226 59.302 61.300 0.380 0.000 1.387 291 I CB -0.044 38.141 38.000 0.307 0.000 1.404 291 I HN 0.765 nan 8.210 nan 0.000 0.522 292 P HA 0.235 nan 4.420 nan 0.000 0.270 292 P C 0.083 177.597 177.300 0.357 0.000 1.223 292 P CA 0.111 63.489 63.100 0.464 0.000 0.785 292 P CB 0.769 32.687 31.700 0.363 0.000 0.923 293 D N -0.286 119.986 120.400 -0.214 0.000 2.367 293 D HA 0.050 4.690 4.640 0.001 0.000 0.207 293 D C -0.064 175.907 176.300 -0.548 0.000 1.034 293 D CA 0.669 54.189 54.000 -0.800 0.000 0.861 293 D CB 0.022 39.999 40.800 -1.371 0.000 0.943 293 D HN 0.273 nan 8.370 nan 0.000 0.515 294 N N -1.525 116.696 118.700 -0.798 0.000 3.265 294 N HA 0.515 5.255 4.740 0.001 0.000 0.235 294 N C -0.633 173.754 175.510 -1.871 0.000 1.343 294 N CA 0.117 52.435 53.050 -1.220 0.000 0.904 294 N CB 1.128 39.212 38.487 -0.671 0.000 1.492 294 N HN 0.028 nan 8.380 nan 0.000 0.504 295 G N -0.567 107.106 108.800 -1.879 0.000 2.356 295 G HA2 0.486 4.447 3.960 0.001 0.000 0.281 295 G HA3 0.486 4.447 3.960 0.001 0.000 0.281 295 G C -1.734 172.688 174.900 -0.796 0.000 1.246 295 G CA 0.117 44.351 45.100 -1.443 0.000 0.889 295 G HN 1.168 nan 8.290 nan 0.000 0.486 296 T N -3.010 111.350 114.554 -0.323 0.000 2.868 296 T HA 0.924 5.274 4.350 0.001 0.000 0.306 296 T C 0.382 175.252 174.700 0.282 0.000 1.224 296 T CA 0.427 62.564 62.100 0.062 0.000 1.012 296 T CB 1.577 70.445 68.868 -0.000 0.000 1.221 296 T HN 2.799 nan 8.240 nan 0.000 0.499 297 G N 0.160 109.109 108.800 0.249 0.000 2.466 297 G HA2 0.310 4.270 3.960 0.001 0.000 0.316 297 G HA3 0.310 4.270 3.960 0.001 0.000 0.316 297 G C 0.682 175.727 174.900 0.242 0.000 1.270 297 G CA -0.040 45.194 45.100 0.224 0.000 0.982 297 G HN 1.586 nan 8.290 nan 0.000 0.506 298 G N -0.539 108.364 108.800 0.171 0.000 2.421 298 G HA2 0.142 4.103 3.960 0.001 0.000 0.217 298 G HA3 0.142 4.103 3.960 0.001 0.000 0.217 298 G C 2.050 177.032 174.900 0.138 0.000 1.143 298 G CA 2.125 47.305 45.100 0.133 0.000 0.784 298 G HN 1.339 nan 8.290 nan 0.000 0.541 299 S N -0.121 115.637 115.700 0.097 0.000 2.400 299 S HA -0.132 4.339 4.470 0.001 0.000 0.232 299 S C 1.743 176.231 174.600 -0.187 0.000 1.025 299 S CA 1.389 59.517 58.200 -0.120 0.000 0.993 299 S CB -0.282 62.784 63.200 -0.224 0.000 0.808 299 S HN 0.731 nan 8.310 nan 0.000 0.478 300 W N 0.290 121.743 121.300 0.254 0.000 2.915 300 W HA 0.487 5.148 4.660 0.001 0.000 0.276 300 W C 0.935 177.561 176.519 0.179 0.000 1.215 300 W CA -0.251 57.226 57.345 0.220 0.000 1.514 300 W CB 0.231 29.756 29.460 0.108 0.000 1.017 300 W HN 0.008 nan 8.180 nan 0.000 0.598 301 S N -0.300 115.602 115.700 0.337 0.000 2.588 301 S HA 0.482 4.952 4.470 0.001 0.000 0.275 301 S C -0.061 174.658 174.600 0.198 0.000 1.130 301 S CA -0.598 57.751 58.200 0.247 0.000 0.855 301 S CB 1.086 64.403 63.200 0.196 0.000 1.116 301 S HN 0.016 nan 8.310 nan 0.000 0.472 302 L N 1.369 122.690 121.223 0.164 0.000 2.575 302 L HA 0.399 4.740 4.340 0.001 0.000 0.228 302 L C 0.929 177.840 176.870 0.068 0.000 1.075 302 L CA 0.117 55.019 54.840 0.104 0.000 0.867 302 L CB 0.063 42.188 42.059 0.109 0.000 1.097 302 L HN 0.547 nan 8.230 nan 0.000 0.485 303 K N 1.314 121.758 120.400 0.074 0.000 2.379 303 K HA 0.060 4.381 4.320 0.001 0.000 0.284 303 K C 0.221 176.846 176.600 0.042 0.000 1.044 303 K CA 0.003 56.319 56.287 0.048 0.000 0.974 303 K CB 0.935 33.461 32.500 0.045 0.000 0.962 303 K HN -0.112 nan 8.250 nan 0.000 0.474 304 S N 4.046 119.761 115.700 0.025 0.000 2.580 304 S HA 0.231 4.701 4.470 0.001 0.000 0.274 304 S C -1.352 173.260 174.600 0.020 0.000 1.329 304 S CA -1.387 56.826 58.200 0.021 0.000 1.036 304 S CB 0.736 63.941 63.200 0.008 0.000 0.919 304 S HN 0.652 nan 8.310 nan 0.000 0.515 305 P HA 0.190 nan 4.420 nan 0.000 0.253 305 P C -0.630 176.675 177.300 0.010 0.000 1.260 305 P CA 0.107 63.218 63.100 0.017 0.000 0.800 305 P CB 0.038 31.751 31.700 0.022 0.000 1.162 306 V N 3.522 123.440 119.914 0.006 0.000 2.448 306 V HA 0.326 4.446 4.120 0.001 0.000 0.295 306 V C -1.990 174.103 176.094 -0.003 0.000 1.025 306 V CA -1.750 60.551 62.300 0.002 0.000 0.859 306 V CB 1.835 33.659 31.823 0.002 0.000 0.988 306 V HN 0.056 nan 8.190 nan 0.000 0.431 307 P HA 0.364 nan 4.420 nan 0.000 0.274 307 P C -2.671 174.621 177.300 -0.013 0.000 1.231 307 P CA -1.405 61.689 63.100 -0.009 0.000 0.790 307 P CB -0.263 31.432 31.700 -0.009 0.000 0.951 308 P HA 0.108 nan 4.420 nan 0.000 0.260 308 P C 0.616 177.905 177.300 -0.018 0.000 1.172 308 P CA 0.493 63.580 63.100 -0.021 0.000 0.760 308 P CB 0.034 31.718 31.700 -0.027 0.000 0.773 309 G N 3.783 112.573 108.800 -0.017 0.000 2.543 309 G HA2 0.482 4.443 3.960 0.001 0.000 0.267 309 G HA3 0.482 4.443 3.960 0.001 0.000 0.267 309 G C -2.165 172.724 174.900 -0.018 0.000 1.406 309 G CA -0.858 44.233 45.100 -0.016 0.000 1.048 309 G HN 0.422 nan 8.290 nan 0.000 0.548 310 P HA 0.319 nan 4.420 nan 0.000 0.267 310 P C 0.020 177.307 177.300 -0.021 0.000 1.200 310 P CA -0.071 63.018 63.100 -0.018 0.000 0.772 310 P CB 0.447 32.137 31.700 -0.015 0.000 0.855 311 A N 5.022 127.827 122.820 -0.025 0.000 2.565 311 A HA 0.255 4.575 4.320 0.001 0.000 0.237 311 A C -1.195 176.375 177.584 -0.022 0.000 1.053 311 A CA -0.674 51.346 52.037 -0.029 0.000 0.755 311 A CB -1.352 17.625 19.000 -0.038 0.000 0.980 311 A HN 0.525 nan 8.150 nan 0.000 0.506 312 P HA 0.375 nan 4.420 nan 0.000 0.274 312 P C -2.538 174.755 177.300 -0.012 0.000 1.256 312 P CA -1.142 61.950 63.100 -0.014 0.000 0.795 312 P CB -0.817 30.876 31.700 -0.012 0.000 1.038 313 P HA 0.201 nan 4.420 nan 0.000 0.264 313 P C -0.563 176.740 177.300 0.004 0.000 1.179 313 P CA 0.438 63.538 63.100 0.000 0.000 0.763 313 P CB -0.193 31.511 31.700 0.007 0.000 0.806 314 L N 2.290 123.516 121.223 0.004 0.000 2.408 314 L HA 0.621 4.961 4.340 0.001 0.000 0.268 314 L C -0.194 176.691 176.870 0.025 0.000 0.986 314 L CA -0.940 53.905 54.840 0.009 0.000 0.820 314 L CB 1.351 43.397 42.059 -0.021 0.000 1.303 314 L HN 0.433 nan 8.230 nan 0.000 0.411 315 Q N 1.465 121.293 119.800 0.047 0.000 2.266 315 Q HA 0.950 5.290 4.340 0.001 0.000 0.261 315 Q C -0.949 175.097 176.000 0.078 0.000 0.985 315 Q CA -0.121 55.722 55.803 0.065 0.000 0.873 315 Q CB 1.959 30.748 28.738 0.084 0.000 1.306 315 Q HN 1.478 nan 8.270 nan 0.000 0.447 316 F N -0.723 119.274 119.950 0.079 0.000 2.686 316 F HA 0.690 5.217 4.527 0.001 0.000 0.311 316 F C -1.448 174.406 175.800 0.091 0.000 1.128 316 F CA -0.694 57.357 58.000 0.085 0.000 0.946 316 F CB 0.689 39.724 39.000 0.058 0.000 1.336 316 F HN 0.706 nan 8.300 nan 0.000 0.457 317 Y N 1.155 121.512 120.300 0.095 0.000 2.804 317 Y HA 0.589 5.139 4.550 0.001 0.000 0.330 317 Y C -2.101 173.838 175.900 0.065 0.000 1.092 317 Y CA -2.679 55.478 58.100 0.094 0.000 1.315 317 Y CB -0.157 38.370 38.460 0.113 0.000 1.188 317 Y HN 0.487 nan 8.280 nan 0.000 0.512 318 P HA -0.118 nan 4.420 nan 0.000 0.226 318 P C 0.267 177.588 177.300 0.036 0.000 1.146 318 P CA 1.621 64.746 63.100 0.042 0.000 0.773 318 P CB 0.263 31.987 31.700 0.039 0.000 0.772 319 Q N -0.918 118.906 119.800 0.040 0.000 2.106 319 Q HA 0.436 4.777 4.340 0.001 0.000 0.273 319 Q C 0.291 176.307 176.000 0.027 0.000 0.853 319 Q CA -0.156 55.665 55.803 0.031 0.000 1.118 319 Q CB 1.031 29.788 28.738 0.031 0.000 1.240 319 Q HN 0.129 nan 8.270 nan 0.000 0.445 320 G N 2.587 111.404 108.800 0.027 0.000 2.707 320 G HA2 -0.149 3.811 3.960 0.001 0.000 0.686 320 G HA3 -0.149 3.811 3.960 0.001 0.000 0.686 320 G C -2.934 171.980 174.900 0.024 0.000 1.315 320 G CA -1.098 44.011 45.100 0.014 0.000 0.832 320 G HN 0.083 nan 8.290 nan 0.000 0.573 321 P HA 0.409 nan 4.420 nan 0.000 0.276 321 P C 0.053 177.358 177.300 0.009 0.000 1.252 321 P CA -0.392 62.700 63.100 -0.012 0.000 0.802 321 P CB 0.690 32.248 31.700 -0.236 0.000 1.035 322 R N 0.719 121.313 120.500 0.158 0.000 2.613 322 R HA 0.335 4.676 4.340 0.001 0.000 0.361 322 R C -0.070 176.388 176.300 0.263 0.000 1.072 322 R CA -0.117 56.085 56.100 0.170 0.000 1.089 322 R CB -0.262 30.143 30.300 0.175 0.000 1.343 322 R HN 0.526 nan 8.270 nan 0.000 0.571 323 F N -1.426 118.531 119.950 0.011 0.000 2.685 323 F HA 0.702 5.230 4.527 0.001 0.000 0.315 323 F C -0.742 175.043 175.800 -0.025 0.000 1.126 323 F CA -1.325 56.667 58.000 -0.013 0.000 0.950 323 F CB 1.318 40.308 39.000 -0.017 0.000 1.360 323 F HN -0.159 nan 8.300 nan 0.000 0.469 324 S N 0.568 116.255 115.700 -0.023 0.000 2.570 324 S HA 0.851 5.322 4.470 0.001 0.000 0.286 324 S C -1.678 172.913 174.600 -0.016 0.000 1.099 324 S CA -0.740 57.380 58.200 -0.133 0.000 0.913 324 S CB 1.738 64.886 63.200 -0.087 0.000 1.085 324 S HN 0.837 nan 8.310 nan 0.000 0.480 325 V N 1.664 121.549 119.914 -0.048 0.000 2.350 325 V HA 0.799 4.920 4.120 0.001 0.000 0.285 325 V C 0.151 176.216 176.094 -0.047 0.000 1.014 325 V CA -0.316 61.964 62.300 -0.033 0.000 0.831 325 V CB 0.611 32.439 31.823 0.010 0.000 1.000 325 V HN 1.147 nan 8.190 nan 0.000 0.433 326 Q N 3.052 122.817 119.800 -0.058 0.000 2.456 326 Q HA 0.673 5.013 4.340 0.001 0.000 0.252 326 Q C 0.795 176.772 176.000 -0.037 0.000 1.042 326 Q CA 0.340 56.119 55.803 -0.040 0.000 0.766 326 Q CB 1.164 29.880 28.738 -0.037 0.000 1.196 326 Q HN 1.938 nan 8.270 nan 0.000 0.504 327 G N 1.018 109.803 108.800 -0.024 0.000 2.536 327 G HA2 -0.291 3.670 3.960 0.001 0.000 0.277 327 G HA3 -0.291 3.670 3.960 0.001 0.000 0.277 327 G C 1.603 176.475 174.900 -0.047 0.000 1.155 327 G CA 1.262 46.352 45.100 -0.017 0.000 0.960 327 G HN 2.111 nan 8.290 nan 0.000 0.544 328 S N 0.138 115.812 115.700 -0.043 0.000 2.558 328 S HA 0.377 4.847 4.470 0.001 0.000 0.217 328 S C 1.043 175.583 174.600 -0.101 0.000 0.975 328 S CA 1.336 59.496 58.200 -0.067 0.000 0.912 328 S CB 0.259 63.460 63.200 0.002 0.000 0.776 328 S HN 0.795 nan 8.310 nan 0.000 0.526 329 R N 1.173 121.607 120.500 -0.110 0.000 2.338 329 R HA 0.638 4.978 4.340 0.001 0.000 0.317 329 R C -1.355 174.785 176.300 -0.266 0.000 0.968 329 R CA -0.382 55.622 56.100 -0.161 0.000 0.849 329 R CB 1.431 31.683 30.300 -0.081 0.000 1.128 329 R HN 0.154 nan 8.270 nan 0.000 0.448 330 V N 2.979 122.575 119.914 -0.530 0.000 2.630 330 V HA 0.874 4.994 4.120 0.001 0.000 0.305 330 V C -0.370 175.463 176.094 -0.435 0.000 1.046 330 V CA -0.621 61.345 62.300 -0.557 0.000 0.934 330 V CB 1.711 32.962 31.823 -0.952 0.000 1.003 330 V HN 0.929 nan 8.190 nan 0.000 0.451 331 A N 2.888 125.592 122.820 -0.192 0.000 2.455 331 A HA 0.929 5.249 4.320 0.001 0.000 0.300 331 A C -0.387 177.208 177.584 0.020 0.000 1.040 331 A CA -0.046 51.938 52.037 -0.087 0.000 0.697 331 A CB 2.063 21.026 19.000 -0.062 0.000 1.265 331 A HN 1.174 nan 8.150 nan 0.000 0.407 332 S N 0.178 115.905 115.700 0.045 0.000 2.794 332 S HA 0.634 5.105 4.470 0.001 0.000 0.299 332 S C 1.115 175.730 174.600 0.025 0.000 1.179 332 S CA 0.396 58.650 58.200 0.091 0.000 0.838 332 S CB 0.895 64.188 63.200 0.155 0.000 1.206 332 S HN 1.533 nan 8.310 nan 0.000 0.523 333 S N -0.329 115.385 115.700 0.024 0.000 2.378 333 S HA -0.115 4.355 4.470 0.001 0.000 0.229 333 S C 1.492 175.996 174.600 -0.160 0.000 1.052 333 S CA 2.086 60.260 58.200 -0.043 0.000 1.084 333 S CB -0.922 62.271 63.200 -0.012 0.000 0.950 333 S HN 0.575 nan 8.310 nan 0.000 0.440 334 L N -2.278 118.819 121.223 -0.210 0.000 2.467 334 L HA 0.340 4.681 4.340 0.001 0.000 0.213 334 L C 0.315 176.783 176.870 -0.670 0.000 1.053 334 L CA -0.199 54.263 54.840 -0.629 0.000 0.847 334 L CB 0.008 41.646 42.059 -0.701 0.000 1.075 334 L HN 0.311 nan 8.230 nan 0.000 0.479 335 W N -0.602 120.645 121.300 -0.089 0.000 2.578 335 W HA 0.526 5.187 4.660 0.001 0.000 0.346 335 W C -0.241 176.264 176.519 -0.023 0.000 1.075 335 W CA -0.406 56.942 57.345 0.006 0.000 1.233 335 W CB 1.840 31.303 29.460 0.005 0.000 1.358 335 W HN -0.403 nan 8.180 nan 0.000 0.574 336 T N 3.249 118.041 114.554 0.396 0.000 3.293 336 T HA 0.513 4.863 4.350 0.001 0.000 0.320 336 T C -1.555 173.314 174.700 0.283 0.000 0.995 336 T CA -0.547 61.649 62.100 0.161 0.000 1.041 336 T CB 0.174 69.100 68.868 0.098 0.000 1.058 336 T HN 0.275 nan 8.240 nan 0.000 0.453 337 F N 0.213 120.155 119.950 -0.014 0.000 2.703 337 F HA 0.798 5.325 4.527 0.001 0.000 0.308 337 F C -0.595 175.193 175.800 -0.020 0.000 1.126 337 F CA -1.142 56.847 58.000 -0.019 0.000 0.959 337 F CB 0.995 39.948 39.000 -0.079 0.000 1.297 337 F HN 0.353 nan 8.300 nan 0.000 0.441 338 S N 1.336 117.157 115.700 0.201 0.000 2.554 338 S HA 0.875 5.346 4.470 0.001 0.000 0.278 338 S C -0.603 174.160 174.600 0.272 0.000 1.242 338 S CA 0.042 58.334 58.200 0.154 0.000 1.051 338 S CB 0.220 63.551 63.200 0.218 0.000 0.986 338 S HN 1.340 nan 8.310 nan 0.000 0.502 339 F N 0.805 120.844 119.950 0.147 0.000 2.618 339 F HA 0.965 5.492 4.527 0.001 0.000 0.332 339 F C 0.712 176.519 175.800 0.011 0.000 1.061 339 F CA -0.502 57.558 58.000 0.101 0.000 0.974 339 F CB 1.272 40.283 39.000 0.019 0.000 1.310 339 F HN 1.148 nan 8.300 nan 0.000 0.491 340 G N -0.862 107.955 108.800 0.028 0.000 2.321 340 G HA2 0.550 4.510 3.960 0.001 0.000 0.296 340 G HA3 0.550 4.510 3.960 0.001 0.000 0.296 340 G C -2.319 172.727 174.900 0.244 0.000 1.287 340 G CA -0.560 44.635 45.100 0.157 0.000 0.846 340 G HN 1.276 nan 8.290 nan 0.000 0.508 341 L N 0.725 122.078 121.223 0.216 0.000 2.439 341 L HA 0.599 4.939 4.340 0.001 0.000 0.270 341 L C 0.808 177.720 176.870 0.071 0.000 0.972 341 L CA -0.787 54.011 54.840 -0.072 0.000 0.836 341 L CB 2.107 43.713 42.059 -0.755 0.000 1.255 341 L HN 0.917 nan 8.230 nan 0.000 0.404 342 G N 1.333 110.147 108.800 0.023 0.000 2.441 342 G HA2 0.345 4.306 3.960 0.001 0.000 0.243 342 G HA3 0.345 4.306 3.960 0.001 0.000 0.243 342 G C 0.949 175.818 174.900 -0.051 0.000 1.281 342 G CA 0.337 45.470 45.100 0.057 0.000 0.854 342 G HN 0.879 nan 8.290 nan 0.000 0.560 343 A N 2.212 124.985 122.820 -0.079 0.000 1.892 343 A HA -0.026 4.294 4.320 0.001 0.000 0.218 343 A C 1.837 179.128 177.584 -0.488 0.000 1.188 343 A CA 1.728 53.553 52.037 -0.353 0.000 0.631 343 A CB -0.336 18.150 19.000 -0.857 0.000 0.822 343 A HN 0.596 nan 8.150 nan 0.000 0.447 344 F N -0.355 119.658 119.950 0.105 0.000 2.419 344 F HA 0.055 4.583 4.527 0.001 0.000 0.283 344 F C 2.879 178.681 175.800 0.004 0.000 1.044 344 F CA 0.951 59.001 58.000 0.083 0.000 1.376 344 F CB -0.817 38.236 39.000 0.087 0.000 1.131 344 F HN 0.271 nan 8.300 nan 0.000 0.585 345 S N -0.336 115.447 115.700 0.138 0.000 2.428 345 S HA 0.332 4.803 4.470 0.001 0.000 0.230 345 S C 1.428 175.910 174.600 -0.196 0.000 1.014 345 S CA 0.711 58.901 58.200 -0.017 0.000 0.957 345 S CB -0.776 62.436 63.200 0.019 0.000 0.784 345 S HN 0.719 nan 8.310 nan 0.000 0.499 346 G N 1.007 109.684 108.800 -0.205 0.000 2.545 346 G HA2 -0.102 3.859 3.960 0.001 0.000 0.216 346 G HA3 -0.102 3.859 3.960 0.001 0.000 0.216 346 G C -3.131 171.566 174.900 -0.338 0.000 1.314 346 G CA -0.606 44.276 45.100 -0.364 0.000 0.906 346 G HN 0.469 nan 8.290 nan 0.000 0.563 347 P HA 0.389 nan 4.420 nan 0.000 0.267 347 P C -0.028 177.169 177.300 -0.171 0.000 1.200 347 P CA 0.541 63.504 63.100 -0.228 0.000 0.772 347 P CB 0.387 31.953 31.700 -0.223 0.000 0.855 348 R N 1.262 121.714 120.500 -0.079 0.000 2.663 348 R HA 0.749 5.089 4.340 0.001 0.000 0.267 348 R C -1.642 174.563 176.300 -0.159 0.000 1.038 348 R CA -0.911 55.091 56.100 -0.163 0.000 0.886 348 R CB 0.953 31.191 30.300 -0.104 0.000 1.249 348 R HN 0.235 nan 8.270 nan 0.000 0.463 349 I N 1.424 121.748 120.570 -0.410 0.000 2.730 349 I HA 0.586 4.757 4.170 0.001 0.000 0.298 349 I C -1.181 174.518 176.117 -0.696 0.000 1.089 349 I CA -0.861 60.263 61.300 -0.292 0.000 1.041 349 I CB 2.074 39.924 38.000 -0.250 0.000 1.235 349 I HN 0.490 nan 8.210 nan 0.000 0.423 350 F N 1.286 121.080 119.950 -0.260 0.000 2.629 350 F HA 0.320 4.848 4.527 0.001 0.000 0.316 350 F C 0.151 175.741 175.800 -0.349 0.000 1.081 350 F CA -0.856 56.801 58.000 -0.573 0.000 0.954 350 F CB 1.178 39.373 39.000 -1.341 0.000 1.337 350 F HN 0.482 nan 8.300 nan 0.000 0.474 351 D N 1.026 121.319 120.400 -0.178 0.000 2.697 351 D HA -0.151 4.490 4.640 0.001 0.000 0.235 351 D C -0.942 175.446 176.300 0.147 0.000 1.167 351 D CA 0.309 54.326 54.000 0.028 0.000 0.656 351 D CB -0.603 40.265 40.800 0.113 0.000 1.025 351 D HN 0.205 nan 8.370 nan 0.000 0.419 352 V N 1.661 121.664 119.914 0.149 0.000 2.508 352 V HA 0.292 4.413 4.120 0.001 0.000 0.281 352 V C 1.129 177.426 176.094 0.338 0.000 1.041 352 V CA 0.375 62.847 62.300 0.287 0.000 1.016 352 V CB 1.216 33.179 31.823 0.233 0.000 0.984 352 V HN 0.186 nan 8.190 nan 0.000 0.478 353 R N 4.074 124.826 120.500 0.420 0.000 2.483 353 R HA 0.420 4.760 4.340 0.001 0.000 0.303 353 R C -1.310 175.154 176.300 0.273 0.000 0.987 353 R CA -0.541 55.746 56.100 0.312 0.000 0.881 353 R CB 2.069 32.488 30.300 0.198 0.000 1.177 353 R HN 0.631 nan 8.270 nan 0.000 0.451 354 F N 2.825 122.773 119.950 -0.003 0.000 2.411 354 F HA 0.111 4.638 4.527 0.001 0.000 0.350 354 F C 0.616 176.350 175.800 -0.111 0.000 1.114 354 F CA 0.063 57.847 58.000 -0.359 0.000 1.135 354 F CB 1.020 39.775 39.000 -0.408 0.000 1.120 354 F HN 0.595 nan 8.300 nan 0.000 0.495 355 Q N 4.667 124.019 119.800 -0.746 0.000 2.406 355 Q HA -0.251 4.089 4.340 0.001 0.000 0.339 355 Q C 1.091 177.027 176.000 -0.107 0.000 1.337 355 Q CA 1.044 56.593 55.803 -0.423 0.000 0.985 355 Q CB -1.409 27.085 28.738 -0.407 0.000 1.216 355 Q HN 1.276 nan 8.270 nan 0.000 0.415 356 G N -0.457 108.312 108.800 -0.053 0.000 2.217 356 G HA2 -0.345 3.616 3.960 0.001 0.000 0.246 356 G HA3 -0.345 3.616 3.960 0.001 0.000 0.246 356 G C -0.110 174.844 174.900 0.091 0.000 0.990 356 G CA 0.254 45.366 45.100 0.020 0.000 0.627 356 G HN 0.485 nan 8.290 nan 0.000 0.522 357 E N 0.316 120.610 120.200 0.156 0.000 2.171 357 E HA 0.591 4.941 4.350 0.001 0.000 0.271 357 E C 0.387 177.133 176.600 0.244 0.000 0.916 357 E CA -1.067 55.462 56.400 0.216 0.000 0.774 357 E CB 0.776 30.653 29.700 0.295 0.000 1.128 357 E HN 0.316 nan 8.360 nan 0.000 0.403 358 R N 4.522 125.150 120.500 0.214 0.000 2.401 358 R HA 0.094 4.435 4.340 0.001 0.000 0.299 358 R C 0.457 176.855 176.300 0.163 0.000 1.064 358 R CA 0.168 56.386 56.100 0.197 0.000 1.000 358 R CB 0.392 30.804 30.300 0.187 0.000 0.973 358 R HN 0.707 nan 8.270 nan 0.000 0.438 359 L N 4.116 125.395 121.223 0.094 0.000 2.269 359 L HA 0.208 4.549 4.340 0.001 0.000 0.200 359 L C 0.501 177.313 176.870 -0.096 0.000 1.069 359 L CA 0.227 54.994 54.840 -0.121 0.000 0.804 359 L CB 0.307 42.198 42.059 -0.281 0.000 0.987 359 L HN 0.411 nan 8.230 nan 0.000 0.468 360 V N -2.072 117.832 119.914 -0.017 0.000 2.656 360 V HA 0.192 4.312 4.120 0.001 0.000 0.307 360 V C 0.317 176.442 176.094 0.052 0.000 1.051 360 V CA -0.663 61.626 62.300 -0.020 0.000 0.893 360 V CB 1.985 33.747 31.823 -0.101 0.000 0.999 360 V HN 0.277 nan 8.190 nan 0.000 0.426 361 Y N 4.544 124.823 120.300 -0.036 0.000 2.243 361 Y HA 0.338 4.889 4.550 0.001 0.000 0.293 361 Y C 1.004 176.851 175.900 -0.089 0.000 1.124 361 Y CA 1.707 59.808 58.100 0.001 0.000 1.159 361 Y CB 0.433 38.922 38.460 0.048 0.000 1.008 361 Y HN 0.778 nan 8.280 nan 0.000 0.527 362 E N 0.257 120.362 120.200 -0.158 0.000 2.321 362 E HA 0.396 4.746 4.350 0.001 0.000 0.281 362 E C -1.915 174.425 176.600 -0.433 0.000 0.910 362 E CA -0.562 55.522 56.400 -0.526 0.000 0.770 362 E CB 1.336 30.853 29.700 -0.305 0.000 1.225 362 E HN 0.189 nan 8.360 nan 0.000 0.417 363 I N 3.590 123.832 120.570 -0.547 0.000 2.468 363 I HA 0.283 4.454 4.170 0.001 0.000 0.284 363 I C -0.789 175.112 176.117 -0.360 0.000 1.038 363 I CA -0.558 60.527 61.300 -0.359 0.000 1.083 363 I CB 1.851 39.677 38.000 -0.291 0.000 1.223 363 I HN 0.482 nan 8.210 nan 0.000 0.443 364 S N 6.224 121.773 115.700 -0.252 0.000 2.538 364 S HA 0.620 5.090 4.470 0.001 0.000 0.288 364 S C -0.805 173.705 174.600 -0.151 0.000 1.108 364 S CA -0.840 57.231 58.200 -0.216 0.000 0.971 364 S CB 2.162 65.236 63.200 -0.211 0.000 1.041 364 S HN 0.461 nan 8.310 nan 0.000 0.483 365 L N 2.442 123.518 121.223 -0.245 0.000 2.490 365 L HA 0.323 4.663 4.340 0.001 0.000 0.274 365 L C 1.005 177.590 176.870 -0.475 0.000 1.201 365 L CA 0.961 55.451 54.840 -0.583 0.000 0.869 365 L CB 0.152 41.687 42.059 -0.875 0.000 1.123 365 L HN 0.886 nan 8.230 nan 0.000 0.484 366 Q N 1.971 121.431 119.800 -0.567 0.000 2.477 366 Q HA 0.261 4.602 4.340 0.001 0.000 0.252 366 Q C -0.247 175.537 176.000 -0.358 0.000 0.869 366 Q CA 0.269 55.866 55.803 -0.343 0.000 0.969 366 Q CB 1.045 29.628 28.738 -0.258 0.000 1.144 366 Q HN 0.745 nan 8.270 nan 0.000 0.577 367 E N -1.168 118.703 120.200 -0.548 0.000 2.392 367 E HA 0.632 4.983 4.350 0.001 0.000 0.281 367 E C -2.054 174.301 176.600 -0.409 0.000 1.088 367 E CA -0.260 55.909 56.400 -0.384 0.000 0.850 367 E CB 1.397 30.908 29.700 -0.316 0.000 1.267 367 E HN 0.074 nan 8.360 nan 0.000 0.438 368 A N 1.622 124.379 122.820 -0.105 0.000 2.469 368 A HA 0.903 5.223 4.320 0.001 0.000 0.299 368 A C -1.824 175.876 177.584 0.193 0.000 1.098 368 A CA -0.605 51.427 52.037 -0.010 0.000 0.737 368 A CB 1.362 20.326 19.000 -0.061 0.000 1.312 368 A HN 0.559 nan 8.150 nan 0.000 0.414 369 L N 0.566 121.909 121.223 0.199 0.000 2.493 369 L HA 0.816 5.156 4.340 0.001 0.000 0.265 369 L C -0.638 176.244 176.870 0.019 0.000 0.954 369 L CA 0.039 54.927 54.840 0.080 0.000 0.844 369 L CB 1.911 43.941 42.059 -0.049 0.000 1.302 369 L HN 1.343 nan 8.230 nan 0.000 0.405 370 A N 6.118 128.928 122.820 -0.017 0.000 2.357 370 A HA 0.801 5.121 4.320 0.001 0.000 0.295 370 A C -1.203 176.277 177.584 -0.173 0.000 1.121 370 A CA -0.310 51.651 52.037 -0.127 0.000 0.742 370 A CB 0.652 19.652 19.000 0.001 0.000 1.181 370 A HN 0.608 nan 8.150 nan 0.000 0.454 371 I N 2.260 122.651 120.570 -0.298 0.000 2.404 371 I HA 0.440 4.611 4.170 0.001 0.000 0.293 371 I C -0.923 175.047 176.117 -0.244 0.000 0.992 371 I CA -0.555 60.613 61.300 -0.220 0.000 1.149 371 I CB 1.548 39.413 38.000 -0.225 0.000 1.315 371 I HN 0.679 nan 8.210 nan 0.000 0.446 372 Y N 2.869 123.099 120.300 -0.117 0.000 2.587 372 Y HA 0.747 5.298 4.550 0.001 0.000 0.337 372 Y C 0.636 176.493 175.900 -0.072 0.000 1.065 372 Y CA -0.520 57.533 58.100 -0.079 0.000 1.126 372 Y CB 2.276 40.651 38.460 -0.143 0.000 1.279 372 Y HN 0.533 nan 8.280 nan 0.000 0.489 373 G N -0.633 108.255 108.800 0.147 0.000 2.574 373 G HA2 0.658 4.618 3.960 0.001 0.000 0.299 373 G HA3 0.658 4.618 3.960 0.001 0.000 0.299 373 G C -1.078 173.838 174.900 0.026 0.000 1.298 373 G CA -0.541 44.608 45.100 0.081 0.000 0.952 373 G HN 0.914 nan 8.290 nan 0.000 0.477 374 G N -0.392 108.296 108.800 -0.187 0.000 2.506 374 G HA2 0.429 4.390 3.960 0.001 0.000 0.292 374 G HA3 0.429 4.390 3.960 0.001 0.000 0.292 374 G C 0.274 174.667 174.900 -0.845 0.000 1.425 374 G CA 0.055 44.929 45.100 -0.376 0.000 0.788 374 G HN 0.811 nan 8.290 nan 0.000 0.490 375 N N -0.969 117.327 118.700 -0.674 0.000 2.409 375 N HA 0.034 4.775 4.740 0.001 0.000 0.179 375 N C 1.062 176.356 175.510 -0.359 0.000 1.032 375 N CA 1.171 53.842 53.050 -0.632 0.000 0.898 375 N CB 0.025 38.081 38.487 -0.719 0.000 0.971 375 N HN 0.707 nan 8.380 nan 0.000 0.441 376 S N -1.673 113.750 115.700 -0.462 0.000 2.751 376 S HA 0.590 5.061 4.470 0.001 0.000 0.310 376 S C -2.238 171.868 174.600 -0.824 0.000 1.128 376 S CA -1.381 56.374 58.200 -0.742 0.000 0.931 376 S CB 2.186 65.050 63.200 -0.559 0.000 1.177 376 S HN -0.209 nan 8.310 nan 0.000 0.530 377 P HA 0.181 nan 4.420 nan 0.000 0.219 377 P C 1.503 178.239 177.300 -0.939 0.000 1.154 377 P CA 1.487 63.908 63.100 -1.132 0.000 0.826 377 P CB -0.241 30.238 31.700 -2.035 0.000 0.795 378 A N 0.721 123.056 122.820 -0.808 0.000 1.834 378 A HA -0.152 4.168 4.320 0.001 0.000 0.216 378 A C 2.351 179.711 177.584 -0.373 0.000 1.203 378 A CA 2.526 54.311 52.037 -0.421 0.000 0.621 378 A CB -1.742 17.133 19.000 -0.207 0.000 0.841 378 A HN 0.157 nan 8.150 nan 0.000 0.446 379 A N 0.419 123.008 122.820 -0.384 0.000 1.869 379 A HA -0.283 4.038 4.320 0.001 0.000 0.218 379 A C 2.367 179.808 177.584 -0.238 0.000 1.203 379 A CA 2.948 54.787 52.037 -0.330 0.000 0.638 379 A CB -0.880 17.943 19.000 -0.295 0.000 0.831 379 A HN 1.023 nan 8.150 nan 0.000 0.450 380 M N -0.313 119.113 119.600 -0.290 0.000 2.632 380 M HA -0.028 4.453 4.480 0.001 0.000 0.256 380 M C 1.131 177.349 176.300 -0.137 0.000 1.080 380 M CA 2.046 57.218 55.300 -0.212 0.000 1.084 380 M CB -0.554 31.879 32.600 -0.279 0.000 1.439 380 M HN 0.439 nan 8.290 nan 0.000 0.509 381 T N -3.798 110.663 114.554 -0.155 0.000 3.043 381 T HA 0.218 4.569 4.350 0.001 0.000 0.272 381 T C 0.317 174.968 174.700 -0.081 0.000 0.990 381 T CA -0.333 61.726 62.100 -0.070 0.000 0.897 381 T CB -0.186 68.673 68.868 -0.016 0.000 1.111 381 T HN 0.216 nan 8.240 nan 0.000 0.529 382 T N 3.645 118.103 114.554 -0.159 0.000 2.779 382 T HA 0.471 4.821 4.350 0.001 0.000 0.296 382 T C -0.253 174.317 174.700 -0.217 0.000 0.938 382 T CA -0.142 61.785 62.100 -0.289 0.000 1.119 382 T CB 0.351 68.917 68.868 -0.504 0.000 0.891 382 T HN 0.210 nan 8.240 nan 0.000 0.526 383 R N 2.759 123.096 120.500 -0.273 0.000 2.545 383 R HA 0.284 4.624 4.340 0.001 0.000 0.289 383 R C -1.455 174.729 176.300 -0.193 0.000 1.327 383 R CA -0.542 55.426 56.100 -0.220 0.000 1.040 383 R CB 0.491 30.689 30.300 -0.171 0.000 1.176 383 R HN 0.531 nan 8.270 nan 0.000 0.518 384 Y N 1.325 121.621 120.300 -0.005 0.000 2.436 384 Y HA 0.178 4.728 4.550 0.001 0.000 0.336 384 Y C 0.694 176.600 175.900 0.009 0.000 1.049 384 Y CA -0.598 57.530 58.100 0.047 0.000 1.294 384 Y CB 1.096 39.566 38.460 0.017 0.000 1.179 384 Y HN 0.176 nan 8.280 nan 0.000 0.520 385 V N 4.905 124.971 119.914 0.253 0.000 2.217 385 V HA 0.051 4.172 4.120 0.001 0.000 0.264 385 V C 0.709 176.981 176.094 0.297 0.000 1.107 385 V CA -0.573 61.852 62.300 0.209 0.000 0.913 385 V CB 0.414 32.352 31.823 0.192 0.000 1.153 385 V HN 0.830 nan 8.190 nan 0.000 0.469 386 D N 3.936 124.498 120.400 0.269 0.000 2.228 386 D HA -0.166 4.475 4.640 0.001 0.000 0.203 386 D C 2.122 178.598 176.300 0.293 0.000 0.988 386 D CA 1.742 55.893 54.000 0.252 0.000 0.864 386 D CB 0.224 41.136 40.800 0.188 0.000 0.928 386 D HN 0.667 nan 8.370 nan 0.000 0.469 387 G N 0.661 109.595 108.800 0.224 0.000 2.450 387 G HA2 -0.208 3.752 3.960 0.001 0.000 0.220 387 G HA3 -0.208 3.752 3.960 0.001 0.000 0.220 387 G C 1.691 176.727 174.900 0.227 0.000 1.130 387 G CA 0.957 46.183 45.100 0.211 0.000 0.760 387 G HN 0.382 nan 8.290 nan 0.000 0.557 388 G N -0.144 108.772 108.800 0.194 0.000 2.470 388 G HA2 -0.045 3.915 3.960 0.001 0.000 0.220 388 G HA3 -0.045 3.915 3.960 0.001 0.000 0.220 388 G C 1.409 176.347 174.900 0.064 0.000 1.121 388 G CA 0.605 45.737 45.100 0.052 0.000 0.766 388 G HN 0.396 nan 8.290 nan 0.000 0.553 389 F N 0.392 120.464 119.950 0.204 0.000 2.222 389 F HA 0.413 4.941 4.527 0.001 0.000 0.285 389 F C 1.580 177.675 175.800 0.491 0.000 1.068 389 F CA 1.072 59.238 58.000 0.276 0.000 1.265 389 F CB 0.023 38.980 39.000 -0.071 0.000 1.087 389 F HN 0.277 nan 8.300 nan 0.000 0.511 390 G N -0.112 109.038 108.800 0.584 0.000 3.160 390 G HA2 -0.023 3.938 3.960 0.001 0.000 0.573 390 G HA3 -0.023 3.938 3.960 0.001 0.000 0.573 390 G C -0.094 174.997 174.900 0.318 0.000 1.286 390 G CA -0.633 44.788 45.100 0.536 0.000 1.151 390 G HN 0.004 nan 8.290 nan 0.000 0.555 391 M N 1.984 121.677 119.600 0.156 0.000 2.175 391 M HA 0.111 4.592 4.480 0.001 0.000 0.264 391 M C 2.554 178.828 176.300 -0.045 0.000 1.063 391 M CA 2.886 58.231 55.300 0.074 0.000 1.119 391 M CB -0.342 32.211 32.600 -0.078 0.000 1.377 391 M HN 0.797 nan 8.290 nan 0.000 0.415 392 G N -0.757 107.929 108.800 -0.191 0.000 2.404 392 G HA2 -0.218 3.742 3.960 0.001 0.000 0.214 392 G HA3 -0.218 3.742 3.960 0.001 0.000 0.214 392 G C 1.559 176.251 174.900 -0.346 0.000 1.189 392 G CA 0.820 45.619 45.100 -0.501 0.000 0.789 392 G HN 0.437 nan 8.290 nan 0.000 0.533 393 K N -0.641 119.716 120.400 -0.072 0.000 2.127 393 K HA -0.160 4.160 4.320 0.001 0.000 0.208 393 K C 0.876 177.389 176.600 -0.146 0.000 1.047 393 K CA 1.173 57.413 56.287 -0.078 0.000 0.927 393 K CB -0.234 32.297 32.500 0.052 0.000 0.716 393 K HN 0.429 nan 8.250 nan 0.000 0.450 394 Y N 0.719 120.979 120.300 -0.066 0.000 2.756 394 Y HA 0.186 4.737 4.550 0.001 0.000 0.300 394 Y C -0.263 175.597 175.900 -0.066 0.000 1.113 394 Y CA -0.340 57.737 58.100 -0.037 0.000 1.291 394 Y CB 0.471 38.946 38.460 0.025 0.000 1.175 394 Y HN -0.179 nan 8.280 nan 0.000 0.534 395 T N 1.362 115.882 114.554 -0.056 0.000 2.888 395 T HA 0.206 4.556 4.350 0.001 0.000 0.301 395 T C 0.677 175.331 174.700 -0.077 0.000 1.001 395 T CA -0.023 62.007 62.100 -0.116 0.000 1.147 395 T CB 0.436 69.091 68.868 -0.354 0.000 0.931 395 T HN 0.364 nan 8.240 nan 0.000 0.541 396 T N 2.101 116.629 114.554 -0.043 0.000 2.943 396 T HA 0.575 4.925 4.350 0.001 0.000 0.284 396 T C -2.856 171.799 174.700 -0.074 0.000 1.015 396 T CA -2.462 59.610 62.100 -0.048 0.000 1.042 396 T CB 1.050 69.909 68.868 -0.013 0.000 1.055 396 T HN 0.145 nan 8.240 nan 0.000 0.500 397 P HA 0.296 nan 4.420 nan 0.000 0.271 397 P C -0.726 176.537 177.300 -0.062 0.000 1.218 397 P CA -0.485 62.533 63.100 -0.136 0.000 0.780 397 P CB 0.312 31.822 31.700 -0.317 0.000 0.901 398 L N 2.209 123.427 121.223 -0.007 0.000 2.260 398 L HA 0.241 4.582 4.340 0.001 0.000 0.289 398 L C 0.608 177.490 176.870 0.020 0.000 1.057 398 L CA -0.253 54.634 54.840 0.078 0.000 0.811 398 L CB 0.331 42.531 42.059 0.234 0.000 1.184 398 L HN 0.261 nan 8.230 nan 0.000 0.429 399 T N 4.068 118.669 114.554 0.077 0.000 2.738 399 T HA 0.149 4.500 4.350 0.001 0.000 0.293 399 T C 0.529 175.263 174.700 0.057 0.000 0.913 399 T CA -0.365 61.805 62.100 0.116 0.000 1.103 399 T CB -0.198 68.765 68.868 0.158 0.000 0.880 399 T HN 0.422 nan 8.240 nan 0.000 0.526 400 R N 2.386 122.807 120.500 -0.132 0.000 2.486 400 R HA 0.252 4.593 4.340 0.001 0.000 0.303 400 R C 1.587 177.914 176.300 0.044 0.000 0.958 400 R CA 0.951 56.914 56.100 -0.228 0.000 1.077 400 R CB -0.160 29.746 30.300 -0.656 0.000 0.921 400 R HN 0.999 nan 8.270 nan 0.000 0.406 401 G N 1.216 110.078 108.800 0.103 0.000 2.176 401 G HA2 -0.279 3.681 3.960 0.001 0.000 0.253 401 G HA3 -0.279 3.681 3.960 0.001 0.000 0.253 401 G C 0.489 175.441 174.900 0.086 0.000 0.979 401 G CA 0.235 45.435 45.100 0.166 0.000 0.641 401 G HN 0.460 nan 8.290 nan 0.000 0.530 402 V N -0.171 119.780 119.914 0.061 0.000 2.840 402 V HA 0.162 4.283 4.120 0.001 0.000 0.234 402 V C 2.224 178.318 176.094 -0.000 0.000 1.159 402 V CA 1.638 63.950 62.300 0.020 0.000 1.194 402 V CB -0.233 31.601 31.823 0.018 0.000 0.971 402 V HN 0.156 nan 8.190 nan 0.000 0.494 403 D N 0.013 120.430 120.400 0.028 0.000 2.103 403 D HA -0.022 4.619 4.640 0.001 0.000 0.199 403 D C 0.718 177.013 176.300 -0.007 0.000 0.978 403 D CA 1.237 55.249 54.000 0.021 0.000 0.829 403 D CB -0.015 40.826 40.800 0.069 0.000 0.981 403 D HN 0.430 nan 8.370 nan 0.000 0.464 404 c N -0.482 118.115 118.600 -0.005 0.000 3.028 404 c HA 0.521 5.091 4.570 0.001 0.000 0.338 404 c C -2.417 171.535 174.090 -0.229 0.000 1.366 404 c CA -1.742 54.443 56.329 -0.240 0.000 1.610 404 c CB 1.505 43.831 42.510 -0.308 0.000 2.063 404 c HN 0.052 nan 8.230 nan 0.000 0.463 405 P HA 0.091 nan 4.420 nan 0.000 0.271 405 P C 0.131 177.455 177.300 0.041 0.000 1.216 405 P CA 0.185 63.161 63.100 -0.207 0.000 0.776 405 P CB 0.228 31.739 31.700 -0.314 0.000 0.881 406 Y N 2.841 123.171 120.300 0.050 0.000 2.062 406 Y HA -0.239 4.311 4.550 0.000 0.000 0.276 406 Y C 1.623 177.645 175.900 0.204 0.000 1.189 406 Y CA 1.705 59.889 58.100 0.140 0.000 1.130 406 Y CB -0.399 38.120 38.460 0.098 0.000 0.959 406 Y HN 0.230 nan 8.280 nan 0.000 0.499 407 L N 0.453 121.895 121.223 0.365 0.000 2.645 407 L HA 0.136 4.476 4.340 0.001 0.000 0.235 407 L C 1.131 178.136 176.870 0.225 0.000 1.150 407 L CA -0.198 54.822 54.840 0.299 0.000 0.911 407 L CB -0.859 41.341 42.059 0.234 0.000 1.077 407 L HN 0.220 nan 8.230 nan 0.000 0.438 408 A N -0.367 122.531 122.820 0.129 0.000 2.429 408 A HA 0.197 4.518 4.320 0.001 0.000 0.242 408 A C 0.419 177.996 177.584 -0.013 0.000 1.088 408 A CA 0.161 52.169 52.037 -0.048 0.000 0.784 408 A CB 0.077 18.736 19.000 -0.569 0.000 1.038 408 A HN 0.162 nan 8.150 nan 0.000 0.501 409 T N 1.875 116.451 114.554 0.037 0.000 2.727 409 T HA 0.462 4.812 4.350 0.001 0.000 0.298 409 T C -0.830 173.830 174.700 -0.066 0.000 0.942 409 T CA 0.549 62.701 62.100 0.086 0.000 0.997 409 T CB -0.380 68.602 68.868 0.191 0.000 0.917 409 T HN 0.368 nan 8.240 nan 0.000 0.487 410 Y N 1.808 122.174 120.300 0.110 0.000 2.376 410 Y HA 0.623 5.174 4.550 0.001 0.000 0.325 410 Y C 0.326 176.298 175.900 0.121 0.000 1.199 410 Y CA -0.878 57.285 58.100 0.106 0.000 1.206 410 Y CB 1.156 39.633 38.460 0.028 0.000 1.229 410 Y HN 0.247 nan 8.280 nan 0.000 0.480 411 V N 2.031 122.137 119.914 0.319 0.000 2.888 411 V HA 0.258 4.379 4.120 0.001 0.000 0.309 411 V C -1.029 175.273 176.094 0.346 0.000 1.114 411 V CA -1.189 61.285 62.300 0.290 0.000 0.940 411 V CB 2.153 34.137 31.823 0.270 0.000 1.021 411 V HN 0.655 nan 8.190 nan 0.000 0.426 412 D N 1.263 121.812 120.400 0.249 0.000 2.253 412 D HA 0.363 5.003 4.640 0.001 0.000 0.249 412 D C -0.932 175.516 176.300 0.246 0.000 1.049 412 D CA -0.061 54.064 54.000 0.208 0.000 0.929 412 D CB 1.720 42.626 40.800 0.177 0.000 1.176 412 D HN 0.537 nan 8.370 nan 0.000 0.437 413 W N 2.054 123.355 121.300 0.003 0.000 2.573 413 W HA 0.255 4.916 4.660 0.001 0.000 0.326 413 W C -0.700 175.873 176.519 0.089 0.000 1.049 413 W CA -0.418 56.925 57.345 -0.004 0.000 1.220 413 W CB 0.705 30.131 29.460 -0.057 0.000 1.373 413 W HN 0.258 nan 8.180 nan 0.000 0.507 414 H N 6.157 125.045 119.070 -0.304 0.000 2.472 414 H HA 0.585 5.142 4.556 0.001 0.000 0.338 414 H C -0.552 174.296 175.328 -0.800 0.000 1.133 414 H CA -0.812 54.991 56.048 -0.408 0.000 1.216 414 H CB 1.086 30.702 29.762 -0.242 0.000 1.497 414 H HN 0.416 nan 8.280 nan 0.000 0.500 415 F N 0.620 120.150 119.950 -0.700 0.000 2.686 415 F HA 0.511 5.039 4.527 0.001 0.000 0.311 415 F C -1.903 173.662 175.800 -0.393 0.000 1.128 415 F CA -1.351 56.202 58.000 -0.745 0.000 0.946 415 F CB 1.497 39.822 39.000 -1.124 0.000 1.336 415 F HN 0.280 nan 8.300 nan 0.000 0.457 416 L N 3.746 124.855 121.223 -0.190 0.000 2.492 416 L HA 0.704 5.045 4.340 0.001 0.000 0.258 416 L C -2.130 174.703 176.870 -0.062 0.000 1.028 416 L CA -0.892 53.825 54.840 -0.204 0.000 0.900 416 L CB 1.073 43.032 42.059 -0.168 0.000 1.191 416 L HN 0.742 nan 8.230 nan 0.000 0.459 417 L N 4.045 125.278 121.223 0.017 0.000 2.470 417 L HA 0.495 4.835 4.340 0.001 0.000 0.268 417 L C 0.307 177.138 176.870 -0.067 0.000 0.964 417 L CA -0.668 54.140 54.840 -0.054 0.000 0.839 417 L CB 2.062 44.117 42.059 -0.006 0.000 1.276 417 L HN 0.555 nan 8.230 nan 0.000 0.403 418 E N 1.425 121.528 120.200 -0.161 0.000 2.476 418 E HA -0.228 4.122 4.350 0.001 0.000 0.251 418 E C -0.379 176.232 176.600 0.019 0.000 1.130 418 E CA 0.955 57.343 56.400 -0.020 0.000 0.736 418 E CB -0.488 29.268 29.700 0.093 0.000 1.298 418 E HN 0.751 nan 8.360 nan 0.000 0.400 419 S N -2.254 113.429 115.700 -0.028 0.000 2.661 419 S HA 0.430 4.901 4.470 0.001 0.000 0.268 419 S C 0.215 174.785 174.600 -0.050 0.000 1.162 419 S CA -0.690 57.492 58.200 -0.030 0.000 0.817 419 S CB 1.887 65.047 63.200 -0.066 0.000 1.141 419 S HN 0.049 nan 8.310 nan 0.000 0.477 420 Q N -0.368 119.402 119.800 -0.049 0.000 2.353 420 Q HA 0.542 4.883 4.340 0.001 0.000 0.240 420 Q C 0.359 176.312 176.000 -0.079 0.000 0.868 420 Q CA 0.569 56.342 55.803 -0.050 0.000 0.944 420 Q CB 0.932 29.656 28.738 -0.023 0.000 1.104 420 Q HN 0.923 nan 8.270 nan 0.000 0.531 421 A N 1.893 124.650 122.820 -0.105 0.000 2.317 421 A HA 0.583 4.904 4.320 0.001 0.000 0.327 421 A C -2.494 174.955 177.584 -0.225 0.000 1.178 421 A CA -1.653 50.300 52.037 -0.140 0.000 0.817 421 A CB 0.307 19.232 19.000 -0.124 0.000 1.189 421 A HN 0.023 nan 8.150 nan 0.000 0.489 422 P HA 0.267 nan 4.420 nan 0.000 0.269 422 P C -0.194 176.814 177.300 -0.486 0.000 1.209 422 P CA -0.024 62.840 63.100 -0.393 0.000 0.776 422 P CB 0.814 32.324 31.700 -0.317 0.000 0.876 423 K N 0.498 120.405 120.400 -0.822 0.000 2.279 423 K HA 0.772 5.092 4.320 0.001 0.000 0.238 423 K C -0.138 176.094 176.600 -0.612 0.000 1.084 423 K CA -0.621 55.227 56.287 -0.731 0.000 0.885 423 K CB 1.373 33.402 32.500 -0.785 0.000 1.319 423 K HN 0.545 nan 8.250 nan 0.000 0.494 424 T N 1.197 115.638 114.554 -0.189 0.000 2.921 424 T HA 0.489 4.840 4.350 0.001 0.000 0.297 424 T C -0.852 174.020 174.700 0.287 0.000 1.013 424 T CA -0.619 61.560 62.100 0.130 0.000 0.990 424 T CB 0.536 69.477 68.868 0.122 0.000 1.023 424 T HN 0.374 nan 8.240 nan 0.000 0.447 425 I N 3.512 124.313 120.570 0.386 0.000 2.297 425 I HA 0.345 4.515 4.170 0.001 0.000 0.291 425 I C 0.806 177.013 176.117 0.150 0.000 1.033 425 I CA -0.523 60.922 61.300 0.242 0.000 1.253 425 I CB 0.640 38.776 38.000 0.227 0.000 1.396 425 I HN 0.428 nan 8.210 nan 0.000 0.476 426 R N 5.489 126.021 120.500 0.054 0.000 2.438 426 R HA 0.110 4.450 4.340 0.001 0.000 0.287 426 R C -0.308 175.980 176.300 -0.019 0.000 1.077 426 R CA -0.358 55.753 56.100 0.018 0.000 1.034 426 R CB 0.494 30.763 30.300 -0.052 0.000 0.993 426 R HN 0.543 nan 8.270 nan 0.000 0.459 427 D N 1.286 121.715 120.400 0.048 0.000 2.723 427 D HA -0.215 4.426 4.640 0.001 0.000 0.236 427 D C 0.828 177.167 176.300 0.065 0.000 1.138 427 D CA 1.134 55.194 54.000 0.101 0.000 0.676 427 D CB -1.138 39.650 40.800 -0.019 0.000 1.069 427 D HN 0.741 nan 8.370 nan 0.000 0.430 428 A N -0.816 122.011 122.820 0.011 0.000 1.858 428 A HA 0.039 4.359 4.320 0.001 0.000 0.216 428 A C 0.848 178.242 177.584 -0.316 0.000 1.190 428 A CA 0.990 52.885 52.037 -0.236 0.000 0.617 428 A CB -0.090 18.665 19.000 -0.409 0.000 0.827 428 A HN 0.251 nan 8.150 nan 0.000 0.443 429 F N -1.323 118.683 119.950 0.093 0.000 2.432 429 F HA 0.521 5.048 4.527 0.001 0.000 0.329 429 F C 0.497 176.345 175.800 0.079 0.000 1.076 429 F CA -0.882 57.165 58.000 0.079 0.000 1.018 429 F CB 1.293 40.332 39.000 0.065 0.000 1.201 429 F HN 0.363 nan 8.300 nan 0.000 0.489 430 c N 0.833 119.578 118.600 0.242 0.000 2.712 430 c HA 0.965 5.536 4.570 0.001 0.000 0.308 430 c C -1.114 173.069 174.090 0.155 0.000 1.201 430 c CA -0.934 55.397 56.329 0.003 0.000 1.554 430 c CB 0.875 43.199 42.510 -0.311 0.000 2.117 430 c HN 0.670 nan 8.230 nan 0.000 0.480 431 V N 3.679 123.676 119.914 0.138 0.000 2.638 431 V HA 0.893 5.014 4.120 0.001 0.000 0.306 431 V C -0.446 175.773 176.094 0.209 0.000 1.052 431 V CA -0.148 62.223 62.300 0.118 0.000 0.885 431 V CB 1.356 33.243 31.823 0.106 0.000 0.999 431 V HN 1.112 nan 8.190 nan 0.000 0.424 432 F N 0.571 120.350 119.950 -0.285 0.000 2.770 432 F HA 0.848 5.376 4.527 0.001 0.000 0.313 432 F C -0.439 175.160 175.800 -0.335 0.000 1.154 432 F CA -0.764 57.096 58.000 -0.233 0.000 0.923 432 F CB 1.197 40.167 39.000 -0.049 0.000 1.301 432 F HN 0.531 nan 8.300 nan 0.000 0.449 433 E N 0.779 120.951 120.200 -0.046 0.000 2.191 433 E HA 0.622 4.973 4.350 0.001 0.000 0.278 433 E C -1.406 175.290 176.600 0.160 0.000 0.972 433 E CA -0.916 55.451 56.400 -0.054 0.000 0.804 433 E CB 1.857 31.585 29.700 0.046 0.000 1.110 433 E HN 0.753 nan 8.360 nan 0.000 0.394 434 Q N 1.711 121.558 119.800 0.077 0.000 2.330 434 Q HA 0.238 4.578 4.340 0.001 0.000 0.269 434 Q C -0.807 175.254 176.000 0.102 0.000 1.022 434 Q CA -0.686 55.217 55.803 0.167 0.000 0.796 434 Q CB 1.441 30.299 28.738 0.201 0.000 1.271 434 Q HN 0.665 nan 8.270 nan 0.000 0.450 435 N N 3.595 122.363 118.700 0.113 0.000 2.405 435 N HA -0.009 4.732 4.740 0.001 0.000 0.260 435 N C 0.029 175.592 175.510 0.088 0.000 1.152 435 N CA 0.181 53.288 53.050 0.095 0.000 0.948 435 N CB 0.951 39.492 38.487 0.091 0.000 1.111 435 N HN 0.685 nan 8.380 nan 0.000 0.485 436 Q N 2.788 122.639 119.800 0.084 0.000 2.369 436 Q HA 0.006 4.347 4.340 0.001 0.000 0.206 436 Q C 0.759 176.802 176.000 0.072 0.000 0.963 436 Q CA 0.726 56.577 55.803 0.081 0.000 0.894 436 Q CB -0.108 28.685 28.738 0.092 0.000 0.965 436 Q HN 0.910 nan 8.270 nan 0.000 0.475 437 G N 1.586 110.429 108.800 0.072 0.000 2.289 437 G HA2 -0.196 3.765 3.960 0.001 0.000 0.280 437 G HA3 -0.196 3.765 3.960 0.001 0.000 0.280 437 G C -0.397 174.539 174.900 0.060 0.000 1.089 437 G CA 0.437 45.574 45.100 0.062 0.000 0.939 437 G HN 0.259 nan 8.290 nan 0.000 0.499 438 L N -0.324 120.942 121.223 0.072 0.000 2.902 438 L HA 0.450 4.791 4.340 0.001 0.000 0.261 438 L C -2.588 174.332 176.870 0.084 0.000 0.928 438 L CA -1.258 53.624 54.840 0.070 0.000 1.024 438 L CB 2.180 44.278 42.059 0.065 0.000 1.629 438 L HN 0.007 nan 8.230 nan 0.000 0.478 439 P HA 0.124 nan 4.420 nan 0.000 0.276 439 P C 0.645 177.994 177.300 0.082 0.000 1.235 439 P CA -0.419 62.739 63.100 0.097 0.000 0.772 439 P CB 1.424 33.187 31.700 0.104 0.000 0.871 440 L N 3.849 125.128 121.223 0.093 0.000 2.042 440 L HA -0.091 4.249 4.340 0.001 0.000 0.210 440 L C 1.097 177.999 176.870 0.054 0.000 1.076 440 L CA 1.903 56.794 54.840 0.084 0.000 0.749 440 L CB -0.372 41.751 42.059 0.107 0.000 0.893 440 L HN 0.569 nan 8.230 nan 0.000 0.432 441 R N -1.193 119.341 120.500 0.056 0.000 2.692 441 R HA 0.630 4.971 4.340 0.001 0.000 0.269 441 R C -1.042 175.266 176.300 0.013 0.000 1.030 441 R CA -0.959 55.158 56.100 0.028 0.000 0.882 441 R CB 1.178 31.492 30.300 0.022 0.000 1.250 441 R HN 0.092 nan 8.270 nan 0.000 0.465 442 R N 1.709 122.195 120.500 -0.023 0.000 2.633 442 R HA 0.297 4.637 4.340 0.001 0.000 0.255 442 R C -2.174 174.075 176.300 -0.084 0.000 1.106 442 R CA -0.780 55.253 56.100 -0.112 0.000 0.959 442 R CB 1.885 32.175 30.300 -0.018 0.000 1.259 442 R HN 0.904 nan 8.270 nan 0.000 0.453 443 H N 2.099 120.928 119.070 -0.402 0.000 2.856 443 H HA 0.336 4.893 4.556 0.001 0.000 0.355 443 H C -1.766 173.301 175.328 -0.436 0.000 1.079 443 H CA -0.465 55.406 56.048 -0.295 0.000 1.240 443 H CB 1.313 30.985 29.762 -0.150 0.000 1.701 443 H HN 0.568 nan 8.280 nan 0.000 0.527 444 H N 3.819 122.401 119.070 -0.812 0.000 2.595 444 H HA 0.341 4.897 4.556 0.001 0.000 0.313 444 H C -0.977 173.781 175.328 -0.949 0.000 1.023 444 H CA -0.224 55.447 56.048 -0.628 0.000 1.218 444 H CB 1.169 30.814 29.762 -0.194 0.000 1.403 444 H HN 0.499 nan 8.280 nan 0.000 0.477 445 S N 4.046 118.980 115.700 -1.278 0.000 2.423 445 S HA 0.117 4.588 4.470 0.001 0.000 0.317 445 S C 0.350 174.549 174.600 -0.669 0.000 1.065 445 S CA -0.687 56.938 58.200 -0.957 0.000 1.111 445 S CB 0.328 62.775 63.200 -1.254 0.000 0.968 445 S HN 0.668 nan 8.310 nan 0.000 0.474 446 D N 3.332 123.499 120.400 -0.388 0.000 2.339 446 D HA 0.131 4.772 4.640 0.001 0.000 0.217 446 D C -0.305 175.970 176.300 -0.042 0.000 1.050 446 D CA 0.176 54.006 54.000 -0.283 0.000 0.856 446 D CB 0.319 41.028 40.800 -0.153 0.000 0.922 446 D HN 0.370 nan 8.370 nan 0.000 0.518 447 L N 0.702 121.872 121.223 -0.089 0.000 2.294 447 L HA 0.164 4.504 4.340 0.001 0.000 0.283 447 L C -0.270 176.539 176.870 -0.101 0.000 1.015 447 L CA -0.259 54.455 54.840 -0.210 0.000 0.831 447 L CB 0.313 42.137 42.059 -0.392 0.000 1.217 447 L HN -0.059 nan 8.230 nan 0.000 0.420 448 Y N 0.965 121.328 120.300 0.106 0.000 2.749 448 Y HA -0.302 4.249 4.550 0.001 0.000 0.482 448 Y C 0.887 176.823 175.900 0.061 0.000 1.210 448 Y CA 0.909 59.048 58.100 0.065 0.000 2.729 448 Y CB -1.872 36.629 38.460 0.068 0.000 0.974 448 Y HN 0.611 nan 8.280 nan 0.000 0.548 449 S N 0.468 116.361 115.700 0.322 0.000 2.500 449 S HA 0.554 5.024 4.470 0.001 0.000 0.301 449 S C -0.916 173.910 174.600 0.376 0.000 1.092 449 S CA -0.531 57.853 58.200 0.307 0.000 1.030 449 S CB 0.696 64.123 63.200 0.379 0.000 1.031 449 S HN 0.318 nan 8.310 nan 0.000 0.483 450 H N 4.124 123.272 119.070 0.130 0.000 2.690 450 H HA 0.428 4.984 4.556 0.001 0.000 0.289 450 H C -0.915 174.435 175.328 0.036 0.000 1.089 450 H CA -0.457 55.577 56.048 -0.023 0.000 1.299 450 H CB 0.332 30.086 29.762 -0.013 0.000 1.405 450 H HN 0.662 nan 8.280 nan 0.000 0.463 451 Y N 1.728 121.978 120.300 -0.083 0.000 2.638 451 Y HA 0.497 5.048 4.550 0.001 0.000 0.335 451 Y C -2.068 173.633 175.900 -0.331 0.000 1.155 451 Y CA -1.692 56.294 58.100 -0.191 0.000 1.046 451 Y CB 1.360 39.797 38.460 -0.039 0.000 1.303 451 Y HN 0.348 nan 8.280 nan 0.000 0.460 452 F N 0.853 120.455 119.950 -0.580 0.000 2.565 452 F HA 0.898 5.425 4.527 0.001 0.000 0.313 452 F C -0.604 174.992 175.800 -0.339 0.000 1.091 452 F CA -0.767 56.876 58.000 -0.595 0.000 0.915 452 F CB 2.511 40.993 39.000 -0.864 0.000 1.208 452 F HN 0.956 nan 8.300 nan 0.000 0.453 453 G N 2.435 110.807 108.800 -0.714 0.000 2.711 453 G HA2 0.572 4.533 3.960 0.001 0.000 0.288 453 G HA3 0.572 4.533 3.960 0.001 0.000 0.288 453 G C -1.351 173.255 174.900 -0.490 0.000 1.451 453 G CA -0.220 44.768 45.100 -0.186 0.000 1.186 453 G HN 1.125 nan 8.290 nan 0.000 0.560 454 G N -0.540 108.189 108.800 -0.119 0.000 2.682 454 G HA2 0.809 4.769 3.960 0.001 0.000 0.303 454 G HA3 0.809 4.769 3.960 0.001 0.000 0.303 454 G C -2.129 172.865 174.900 0.155 0.000 1.341 454 G CA -0.772 44.330 45.100 0.004 0.000 0.784 454 G HN 1.605 nan 8.290 nan 0.000 0.497 455 L N -0.356 120.959 121.223 0.153 0.000 2.795 455 L HA 0.731 5.072 4.340 0.001 0.000 0.260 455 L C -0.065 176.888 176.870 0.137 0.000 0.935 455 L CA -0.352 54.573 54.840 0.142 0.000 0.985 455 L CB 1.045 43.170 42.059 0.110 0.000 1.433 455 L HN 1.374 nan 8.230 nan 0.000 0.447 456 A N 3.556 126.460 122.820 0.140 0.000 2.425 456 A HA 0.437 4.758 4.320 0.001 0.000 0.249 456 A C 0.109 177.765 177.584 0.119 0.000 1.084 456 A CA -0.162 51.950 52.037 0.124 0.000 0.781 456 A CB 0.217 19.287 19.000 0.116 0.000 1.019 456 A HN 0.762 nan 8.150 nan 0.000 0.490 457 E N 1.161 121.431 120.200 0.117 0.000 2.223 457 E HA 0.307 4.657 4.350 0.001 0.000 0.282 457 E C -0.859 175.811 176.600 0.117 0.000 1.046 457 E CA 0.083 56.560 56.400 0.130 0.000 0.857 457 E CB 0.560 30.345 29.700 0.143 0.000 1.055 457 E HN 0.551 nan 8.360 nan 0.000 0.409 458 T N 3.844 118.469 114.554 0.119 0.000 2.840 458 T HA 0.313 4.664 4.350 0.001 0.000 0.287 458 T C -0.555 174.190 174.700 0.075 0.000 0.991 458 T CA -0.662 61.494 62.100 0.094 0.000 0.964 458 T CB 0.975 69.904 68.868 0.102 0.000 0.954 458 T HN 0.373 nan 8.240 nan 0.000 0.438 459 V N 2.419 122.332 119.914 -0.002 0.000 2.834 459 V HA 0.826 4.946 4.120 0.001 0.000 0.313 459 V C -0.562 175.423 176.094 -0.181 0.000 1.060 459 V CA -1.156 61.075 62.300 -0.114 0.000 0.989 459 V CB 1.556 33.209 31.823 -0.283 0.000 1.041 459 V HN 0.641 nan 8.190 nan 0.000 0.459 460 L N 3.792 124.886 121.223 -0.215 0.000 2.280 460 L HA 0.720 5.060 4.340 0.001 0.000 0.287 460 L C -0.299 176.349 176.870 -0.371 0.000 1.023 460 L CA 0.095 54.741 54.840 -0.324 0.000 0.819 460 L CB 1.267 43.184 42.059 -0.235 0.000 1.212 460 L HN 0.682 nan 8.230 nan 0.000 0.420 461 V N 5.299 124.816 119.914 -0.663 0.000 2.732 461 V HA 0.684 4.805 4.120 0.001 0.000 0.310 461 V C -0.487 175.362 176.094 -0.409 0.000 1.053 461 V CA -0.717 61.190 62.300 -0.655 0.000 0.957 461 V CB 2.052 33.163 31.823 -1.187 0.000 1.018 461 V HN 0.494 nan 8.190 nan 0.000 0.452 462 V N 3.802 123.614 119.914 -0.170 0.000 2.686 462 V HA 0.661 4.781 4.120 0.001 0.000 0.306 462 V C -0.374 175.765 176.094 0.075 0.000 1.065 462 V CA -0.704 61.602 62.300 0.009 0.000 0.894 462 V CB 1.935 33.819 31.823 0.103 0.000 1.004 462 V HN 0.909 nan 8.190 nan 0.000 0.424 463 R N 2.454 123.064 120.500 0.183 0.000 2.584 463 R HA 0.755 5.096 4.340 0.001 0.000 0.276 463 R C -1.196 175.246 176.300 0.237 0.000 1.046 463 R CA -0.156 56.071 56.100 0.212 0.000 0.906 463 R CB 2.308 32.741 30.300 0.221 0.000 1.215 463 R HN 0.812 nan 8.270 nan 0.000 0.449 464 S N 3.735 119.575 115.700 0.234 0.000 2.634 464 S HA 0.663 5.133 4.470 0.001 0.000 0.296 464 S C -0.752 173.961 174.600 0.188 0.000 1.104 464 S CA -0.941 57.338 58.200 0.132 0.000 0.920 464 S CB 1.956 65.178 63.200 0.036 0.000 1.111 464 S HN 0.532 nan 8.310 nan 0.000 0.493 465 M N 1.580 121.240 119.600 0.100 0.000 2.393 465 M HA 0.440 4.921 4.480 0.001 0.000 0.299 465 M C -1.173 175.196 176.300 0.115 0.000 1.103 465 M CA -0.439 54.913 55.300 0.086 0.000 0.910 465 M CB 2.410 35.021 32.600 0.019 0.000 1.659 465 M HN 0.509 nan 8.290 nan 0.000 0.445 466 S N 1.344 117.163 115.700 0.197 0.000 2.456 466 S HA 0.510 4.980 4.470 0.001 0.000 0.316 466 S C -0.521 174.125 174.600 0.078 0.000 1.089 466 S CA -0.593 57.739 58.200 0.220 0.000 1.101 466 S CB 1.359 64.838 63.200 0.465 0.000 0.995 466 S HN 0.599 nan 8.310 nan 0.000 0.468 467 T N 4.296 118.883 114.554 0.056 0.000 2.770 467 T HA 0.425 4.776 4.350 0.001 0.000 0.297 467 T C -0.416 174.268 174.700 -0.028 0.000 0.997 467 T CA -0.309 61.776 62.100 -0.025 0.000 0.949 467 T CB 0.085 68.970 68.868 0.028 0.000 0.941 467 T HN 0.397 nan 8.240 nan 0.000 0.457 468 L N 6.032 127.099 121.223 -0.260 0.000 2.324 468 L HA 0.451 4.791 4.340 0.001 0.000 0.274 468 L C 0.500 177.086 176.870 -0.475 0.000 1.012 468 L CA -0.553 54.024 54.840 -0.438 0.000 0.859 468 L CB 0.433 42.145 42.059 -0.578 0.000 1.224 468 L HN 0.726 nan 8.230 nan 0.000 0.429 469 L N 1.003 122.046 121.223 -0.299 0.000 6.223 469 L HA -0.385 3.956 4.340 0.001 0.000 0.053 469 L C 0.795 177.337 176.870 -0.547 0.000 2.244 469 L CA 1.165 55.865 54.840 -0.233 0.000 1.647 469 L CB -1.086 40.773 42.059 -0.333 0.000 2.769 469 L HN 0.871 nan 8.230 nan 0.000 1.016 473 Y N 0.822 121.011 120.300 -0.186 0.000 2.464 473 Y HA 0.406 4.957 4.550 0.001 0.000 0.326 473 Y C -0.174 175.281 175.900 -0.742 0.000 0.969 473 Y CA -1.112 56.725 58.100 -0.439 0.000 1.270 473 Y CB 1.280 39.467 38.460 -0.456 0.000 1.103 473 Y HN 0.147 nan 8.280 nan 0.000 0.491 474 V N 3.511 123.230 119.914 -0.326 0.000 2.405 474 V HA 0.046 4.166 4.120 0.001 0.000 0.264 474 V C -0.612 175.347 176.094 -0.225 0.000 1.048 474 V CA -0.764 61.413 62.300 -0.206 0.000 0.966 474 V CB -0.333 31.476 31.823 -0.024 0.000 1.015 474 V HN 0.632 nan 8.190 nan 0.000 0.477 475 W N 3.065 124.474 121.300 0.182 0.000 2.295 475 W HA 0.497 5.157 4.660 0.001 0.000 0.333 475 W C -0.053 176.511 176.519 0.075 0.000 0.990 475 W CA -0.663 56.763 57.345 0.135 0.000 1.453 475 W CB 0.566 30.067 29.460 0.068 0.000 1.263 475 W HN 0.435 nan 8.180 nan 0.000 0.380 476 D N 1.610 122.145 120.400 0.225 0.000 2.210 476 D HA 0.376 5.017 4.640 0.001 0.000 0.249 476 D C -0.239 175.986 176.300 -0.124 0.000 1.062 476 D CA 0.009 54.040 54.000 0.052 0.000 0.891 476 D CB 1.603 42.427 40.800 0.040 0.000 1.186 476 D HN 0.025 nan 8.370 nan 0.000 0.432 477 T N 1.403 115.824 114.554 -0.221 0.000 2.864 477 T HA 0.380 4.731 4.350 0.001 0.000 0.299 477 T C -0.594 173.748 174.700 -0.596 0.000 1.011 477 T CA -0.561 61.250 62.100 -0.482 0.000 0.975 477 T CB 0.902 69.484 68.868 -0.477 0.000 0.962 477 T HN -0.024 nan 8.240 nan 0.000 0.448 478 V N 4.638 124.129 119.914 -0.706 0.000 2.384 478 V HA 0.526 4.647 4.120 0.001 0.000 0.287 478 V C -0.758 174.827 176.094 -0.850 0.000 1.020 478 V CA -0.887 61.029 62.300 -0.640 0.000 0.850 478 V CB 0.715 32.239 31.823 -0.497 0.000 0.987 478 V HN 0.760 nan 8.190 nan 0.000 0.436 479 F N 3.893 123.425 119.950 -0.697 0.000 2.404 479 F HA 0.512 5.039 4.527 0.001 0.000 0.354 479 F C 0.858 176.438 175.800 -0.366 0.000 1.122 479 F CA -0.366 57.152 58.000 -0.804 0.000 1.080 479 F CB 0.644 38.749 39.000 -1.493 0.000 1.131 479 F HN 0.477 nan 8.300 nan 0.000 0.471 480 H N 3.957 123.155 119.070 0.214 0.000 2.496 480 H HA 0.200 4.757 4.556 0.001 0.000 0.342 480 H C -1.663 174.029 175.328 0.607 0.000 1.170 480 H CA -1.767 54.476 56.048 0.326 0.000 1.274 480 H CB 1.609 31.497 29.762 0.210 0.000 1.538 480 H HN 0.271 nan 8.280 nan 0.000 0.542 481 P HA -0.099 nan 4.420 nan 0.000 0.229 481 P C 1.260 178.786 177.300 0.376 0.000 1.160 481 P CA 0.924 64.309 63.100 0.476 0.000 0.777 481 P CB 0.128 32.010 31.700 0.304 0.000 0.814 482 S N -1.527 114.336 115.700 0.272 0.000 2.561 482 S HA 0.209 4.680 4.470 0.001 0.000 0.225 482 S C 1.721 176.264 174.600 -0.094 0.000 0.977 482 S CA 0.708 58.962 58.200 0.090 0.000 0.926 482 S CB -1.335 61.907 63.200 0.070 0.000 0.769 482 S HN 0.298 nan 8.310 nan 0.000 0.533 483 G N 0.388 109.090 108.800 -0.164 0.000 2.176 483 G HA2 -0.068 3.893 3.960 0.001 0.000 0.232 483 G HA3 -0.068 3.893 3.960 0.001 0.000 0.232 483 G C 0.195 175.283 174.900 0.313 0.000 0.986 483 G CA -0.138 44.675 45.100 -0.478 0.000 0.643 483 G HN 1.263 nan 8.290 nan 0.000 0.522 484 A N 0.066 123.098 122.820 0.353 0.000 2.354 484 A HA 0.778 5.098 4.320 0.001 0.000 0.269 484 A C 0.275 178.054 177.584 0.325 0.000 1.109 484 A CA -0.085 52.149 52.037 0.328 0.000 0.800 484 A CB 0.451 19.527 19.000 0.126 0.000 1.045 484 A HN 0.738 nan 8.150 nan 0.000 0.489 485 I N 1.016 121.667 120.570 0.135 0.000 2.460 485 I HA 0.415 4.586 4.170 0.001 0.000 0.298 485 I C 0.185 176.147 176.117 -0.257 0.000 0.989 485 I CA -0.250 60.901 61.300 -0.248 0.000 1.173 485 I CB 1.832 39.572 38.000 -0.433 0.000 1.338 485 I HN 0.807 nan 8.210 nan 0.000 0.456 486 E N 6.324 126.234 120.200 -0.483 0.000 2.234 486 E HA 0.457 4.808 4.350 0.001 0.000 0.266 486 E C -1.627 174.461 176.600 -0.853 0.000 0.877 486 E CA -0.680 55.291 56.400 -0.715 0.000 0.758 486 E CB 1.716 31.072 29.700 -0.574 0.000 1.170 486 E HN 0.353 nan 8.360 nan 0.000 0.415 487 I N 3.235 123.133 120.570 -1.121 0.000 2.355 487 I HA 0.371 4.541 4.170 0.001 0.000 0.288 487 I C 0.051 175.630 176.117 -0.898 0.000 0.999 487 I CA -0.630 60.023 61.300 -1.079 0.000 1.163 487 I CB 0.885 37.935 38.000 -1.583 0.000 1.316 487 I HN 0.352 nan 8.210 nan 0.000 0.454 488 R N 4.843 125.031 120.500 -0.520 0.000 2.854 488 R HA 0.801 5.142 4.340 0.001 0.000 0.271 488 R C -1.042 175.202 176.300 -0.093 0.000 0.996 488 R CA -0.825 55.034 56.100 -0.401 0.000 0.961 488 R CB 2.921 32.972 30.300 -0.414 0.000 1.182 488 R HN 0.541 nan 8.270 nan 0.000 0.479 489 F N 0.010 119.755 119.950 -0.341 0.000 2.588 489 F HA 0.740 5.267 4.527 0.001 0.000 0.314 489 F C -2.045 173.472 175.800 -0.472 0.000 1.134 489 F CA -1.313 56.533 58.000 -0.257 0.000 0.961 489 F CB 1.243 40.242 39.000 -0.001 0.000 1.239 489 F HN 0.587 nan 8.300 nan 0.000 0.448 490 Y N 3.041 123.155 120.300 -0.309 0.000 2.468 490 Y HA 0.813 5.364 4.550 0.001 0.000 0.342 490 Y C -0.042 175.765 175.900 -0.155 0.000 1.021 490 Y CA -1.284 56.600 58.100 -0.360 0.000 1.079 490 Y CB 2.065 40.377 38.460 -0.245 0.000 1.226 490 Y HN 0.960 nan 8.280 nan 0.000 0.460 491 A N 1.604 124.437 122.820 0.022 0.000 2.303 491 A HA 0.752 5.072 4.320 0.001 0.000 0.320 491 A C -0.142 177.456 177.584 0.023 0.000 1.192 491 A CA -0.319 51.797 52.037 0.131 0.000 0.821 491 A CB 1.272 20.270 19.000 -0.004 0.000 1.188 491 A HN 0.743 nan 8.150 nan 0.000 0.492 492 T N 0.686 115.236 114.554 -0.007 0.000 2.618 492 T HA 0.817 5.167 4.350 0.001 0.000 0.286 492 T C 0.389 175.029 174.700 -0.101 0.000 1.027 492 T CA 1.038 63.102 62.100 -0.061 0.000 1.063 492 T CB 0.941 69.758 68.868 -0.084 0.000 1.440 492 T HN 2.667 nan 8.240 nan 0.000 0.505 493 G N 0.011 108.725 108.800 -0.143 0.000 2.512 493 G HA2 -0.109 3.851 3.960 0.001 0.000 0.210 493 G HA3 -0.109 3.851 3.960 0.001 0.000 0.210 493 G C -1.315 173.443 174.900 -0.235 0.000 1.295 493 G CA -0.257 44.730 45.100 -0.188 0.000 0.934 493 G HN 0.831 nan 8.290 nan 0.000 0.554 494 Y N 0.789 120.956 120.300 -0.222 0.000 2.308 494 Y HA 0.533 5.083 4.550 0.001 0.000 0.329 494 Y C 1.616 177.346 175.900 -0.283 0.000 1.111 494 Y CA -0.042 57.913 58.100 -0.242 0.000 1.179 494 Y CB 0.891 39.156 38.460 -0.325 0.000 1.201 494 Y HN 0.678 nan 8.280 nan 0.000 0.483 495 I N 0.061 120.647 120.570 0.028 0.000 3.004 495 I HA 0.348 4.519 4.170 0.001 0.000 0.287 495 I C 0.287 176.342 176.117 -0.102 0.000 1.144 495 I CA -0.376 60.912 61.300 -0.019 0.000 1.353 495 I CB 0.953 38.959 38.000 0.010 0.000 1.417 495 I HN 0.456 nan 8.210 nan 0.000 0.602 496 S N 2.555 118.183 115.700 -0.120 0.000 2.508 496 S HA 0.595 5.066 4.470 0.001 0.000 0.284 496 S C -0.242 174.326 174.600 -0.054 0.000 1.192 496 S CA -0.115 58.010 58.200 -0.126 0.000 1.070 496 S CB 0.552 63.612 63.200 -0.233 0.000 1.004 496 S HN 1.002 nan 8.310 nan 0.000 0.493 497 S N 3.363 119.069 115.700 0.010 0.000 2.671 497 S HA 0.952 5.423 4.470 0.001 0.000 0.299 497 S C -0.467 174.115 174.600 -0.031 0.000 1.116 497 S CA -0.413 57.790 58.200 0.005 0.000 0.912 497 S CB 1.465 64.682 63.200 0.027 0.000 1.130 497 S HN 1.448 nan 8.310 nan 0.000 0.501 498 A N 0.621 123.381 122.820 -0.101 0.000 2.569 498 A HA 0.753 5.074 4.320 0.001 0.000 0.290 498 A C -1.131 176.441 177.584 -0.022 0.000 1.136 498 A CA -0.798 51.069 52.037 -0.284 0.000 0.710 498 A CB 0.774 19.573 19.000 -0.335 0.000 1.303 498 A HN 1.201 nan 8.150 nan 0.000 0.413 499 F N 0.790 120.739 119.950 -0.000 0.000 2.443 499 F HA 0.521 5.049 4.527 0.001 0.000 0.353 499 F C -0.155 175.722 175.800 0.129 0.000 1.101 499 F CA -0.644 57.463 58.000 0.178 0.000 1.226 499 F CB 0.672 39.841 39.000 0.281 0.000 1.140 499 F HN 0.466 nan 8.300 nan 0.000 0.557 500 L N 9.083 129.801 121.223 -0.842 0.000 2.290 500 L HA 0.457 4.798 4.340 0.001 0.000 0.284 500 L C -1.072 175.311 176.870 -0.811 0.000 1.078 500 L CA -0.115 54.327 54.840 -0.664 0.000 0.815 500 L CB -0.034 41.823 42.059 -0.337 0.000 1.162 500 L HN 0.635 nan 8.230 nan 0.000 0.435 505 G N 2.569 111.311 108.800 -0.096 0.000 2.640 505 G HA2 -0.365 3.596 3.960 0.001 0.000 0.226 505 G HA3 -0.365 3.596 3.960 0.001 0.000 0.226 505 G C 1.253 176.033 174.900 -0.201 0.000 1.222 505 G CA 0.871 45.902 45.100 -0.116 0.000 0.729 505 G HN 0.795 nan 8.290 nan 0.000 0.516 506 K N -0.329 119.842 120.400 -0.383 0.000 2.442 506 K HA 0.113 4.433 4.320 0.001 0.000 0.198 506 K C 1.537 177.685 176.600 -0.752 0.000 1.044 506 K CA 1.724 57.615 56.287 -0.659 0.000 0.948 506 K CB -0.442 31.454 32.500 -1.006 0.000 0.762 506 K HN 0.815 nan 8.250 nan 0.000 0.472 507 Y N -1.317 118.940 120.300 -0.071 0.000 2.641 507 Y HA 0.450 5.000 4.550 0.001 0.000 0.248 507 Y C 1.092 176.954 175.900 -0.064 0.000 1.170 507 Y CA -0.194 57.863 58.100 -0.073 0.000 1.201 507 Y CB 1.537 39.933 38.460 -0.106 0.000 1.232 507 Y HN 0.284 nan 8.280 nan 0.000 0.537 508 G N 0.111 108.923 108.800 0.020 0.000 2.340 508 G HA2 -0.049 3.911 3.960 0.001 0.000 0.282 508 G HA3 -0.049 3.911 3.960 0.001 0.000 0.282 508 G C -1.872 173.024 174.900 -0.005 0.000 1.312 508 G CA -1.143 43.965 45.100 0.013 0.000 0.942 508 G HN -0.039 nan 8.290 nan 0.000 0.495 509 N N 0.244 118.947 118.700 0.005 0.000 2.384 509 N HA 0.408 5.149 4.740 0.001 0.000 0.301 509 N C -0.506 175.001 175.510 -0.006 0.000 1.133 509 N CA -0.562 52.492 53.050 0.006 0.000 0.853 509 N CB 2.088 40.600 38.487 0.042 0.000 1.241 509 N HN 0.693 nan 8.380 nan 0.000 0.502 510 Q N 1.256 121.050 119.800 -0.011 0.000 2.293 510 Q HA 0.153 4.493 4.340 0.001 0.000 0.263 510 Q C 0.800 176.800 176.000 0.001 0.000 1.002 510 Q CA -0.201 55.593 55.803 -0.016 0.000 0.910 510 Q CB 0.740 29.466 28.738 -0.020 0.000 1.185 510 Q HN 0.598 nan 8.270 nan 0.000 0.401 511 V N 0.181 120.093 119.914 -0.004 0.000 3.523 511 V HA 0.253 4.373 4.120 0.001 0.000 0.255 511 V C 0.327 176.423 176.094 0.004 0.000 1.226 511 V CA 0.811 63.113 62.300 0.003 0.000 1.092 511 V CB 0.315 32.131 31.823 -0.012 0.000 0.817 511 V HN 0.646 nan 8.190 nan 0.000 0.458 512 S N -1.048 114.652 115.700 -0.001 0.000 2.727 512 S HA 0.673 5.144 4.470 0.001 0.000 0.278 512 S C -0.135 174.467 174.600 0.003 0.000 1.186 512 S CA 0.050 58.256 58.200 0.009 0.000 0.836 512 S CB 0.874 64.072 63.200 -0.003 0.000 1.186 512 S HN 1.193 nan 8.310 nan 0.000 0.499 513 E N 0.168 120.373 120.200 0.007 0.000 2.585 513 E HA 0.196 4.546 4.350 0.001 0.000 0.252 513 E C 0.507 177.074 176.600 -0.055 0.000 0.981 513 E CA 0.510 56.843 56.400 -0.111 0.000 0.943 513 E CB -1.249 28.401 29.700 -0.084 0.000 0.923 513 E HN 1.009 nan 8.360 nan 0.000 0.486 514 H N 0.284 119.412 119.070 0.097 0.000 3.047 514 H HA -0.143 4.413 4.556 0.001 0.000 0.263 514 H C -0.199 175.134 175.328 0.008 0.000 1.168 514 H CA 1.447 57.531 56.048 0.061 0.000 1.152 514 H CB -2.397 27.530 29.762 0.275 0.000 1.278 514 H HN 0.676 nan 8.280 nan 0.000 0.339 515 T N 1.073 115.671 114.554 0.073 0.000 2.786 515 T HA 0.473 4.823 4.350 0.001 0.000 0.283 515 T C 0.420 175.102 174.700 -0.030 0.000 0.992 515 T CA -0.820 61.299 62.100 0.032 0.000 0.954 515 T CB 2.312 71.191 68.868 0.017 0.000 0.934 515 T HN 0.125 nan 8.240 nan 0.000 0.440 516 L N 3.560 124.745 121.223 -0.063 0.000 2.290 516 L HA 0.653 4.993 4.340 0.001 0.000 0.284 516 L C 0.603 177.444 176.870 -0.048 0.000 1.078 516 L CA 0.035 54.829 54.840 -0.077 0.000 0.815 516 L CB 0.409 42.390 42.059 -0.131 0.000 1.162 516 L HN 0.802 nan 8.230 nan 0.000 0.435 517 G N 3.355 112.136 108.800 -0.031 0.000 2.391 517 G HA2 0.386 4.347 3.960 0.001 0.000 0.305 517 G HA3 0.386 4.347 3.960 0.001 0.000 0.305 517 G C -0.062 174.839 174.900 0.002 0.000 1.072 517 G CA -0.082 45.004 45.100 -0.023 0.000 1.016 517 G HN 0.777 nan 8.290 nan 0.000 0.418 518 T N 0.220 114.794 114.554 0.033 0.000 2.814 518 T HA 0.317 4.667 4.350 0.001 0.000 0.297 518 T C 0.653 175.480 174.700 0.212 0.000 0.956 518 T CA -0.705 61.454 62.100 0.099 0.000 1.123 518 T CB 1.793 70.717 68.868 0.094 0.000 0.902 518 T HN 0.484 nan 8.240 nan 0.000 0.528 519 V N 5.804 125.803 119.914 0.142 0.000 2.872 519 V HA 0.342 4.462 4.120 0.001 0.000 0.307 519 V C 0.007 176.158 176.094 0.095 0.000 1.072 519 V CA 0.468 62.815 62.300 0.077 0.000 1.148 519 V CB -0.365 31.474 31.823 0.027 0.000 0.954 519 V HN 1.244 nan 8.190 nan 0.000 0.490 520 H N 2.418 121.323 119.070 -0.275 0.000 2.904 520 H HA 0.474 5.030 4.556 0.001 0.000 0.290 520 H C -1.045 174.038 175.328 -0.409 0.000 1.437 520 H CA -0.289 55.450 56.048 -0.515 0.000 1.147 520 H CB 1.208 30.226 29.762 -1.240 0.000 1.824 520 H HN 0.697 nan 8.280 nan 0.000 0.505 521 T N -0.851 113.432 114.554 -0.452 0.000 2.887 521 T HA 0.442 4.792 4.350 0.001 0.000 0.288 521 T C -0.721 173.683 174.700 -0.493 0.000 1.021 521 T CA -0.806 61.035 62.100 -0.432 0.000 1.000 521 T CB 2.143 70.856 68.868 -0.258 0.000 1.034 521 T HN 0.639 nan 8.240 nan 0.000 0.467 522 H N 1.165 119.958 119.070 -0.460 0.000 2.499 522 H HA 0.751 5.308 4.556 0.001 0.000 0.340 522 H C -0.196 175.059 175.328 -0.123 0.000 1.148 522 H CA -0.564 55.322 56.048 -0.270 0.000 1.215 522 H CB 2.024 31.550 29.762 -0.393 0.000 1.529 522 H HN 0.955 nan 8.280 nan 0.000 0.510 523 S N 0.627 116.447 115.700 0.201 0.000 2.552 523 S HA 0.755 5.225 4.470 0.001 0.000 0.272 523 S C -1.185 173.594 174.600 0.298 0.000 1.150 523 S CA -0.980 57.410 58.200 0.316 0.000 0.849 523 S CB 2.125 65.482 63.200 0.262 0.000 1.113 523 S HN 0.851 nan 8.310 nan 0.000 0.458 524 A N 1.074 124.057 122.820 0.271 0.000 2.515 524 A HA 0.809 5.130 4.320 0.001 0.000 0.298 524 A C -1.409 176.044 177.584 -0.218 0.000 1.059 524 A CA -0.582 51.355 52.037 -0.167 0.000 0.698 524 A CB 1.402 20.091 19.000 -0.518 0.000 1.289 524 A HN 0.955 nan 8.150 nan 0.000 0.404 525 H N 0.655 119.146 119.070 -0.965 0.000 2.495 525 H HA 0.684 5.240 4.556 0.001 0.000 0.348 525 H C -1.797 172.993 175.328 -0.898 0.000 1.113 525 H CA -0.459 55.055 56.048 -0.890 0.000 1.195 525 H CB 1.083 29.916 29.762 -1.549 0.000 1.521 525 H HN 0.514 nan 8.280 nan 0.000 0.509 526 F N 2.543 122.203 119.950 -0.483 0.000 2.540 526 F HA 0.271 4.798 4.527 0.001 0.000 0.317 526 F C 0.008 175.527 175.800 -0.467 0.000 1.104 526 F CA -0.876 56.911 58.000 -0.355 0.000 0.913 526 F CB 1.872 40.818 39.000 -0.090 0.000 1.170 526 F HN 0.299 nan 8.300 nan 0.000 0.450 527 K N 2.460 122.709 120.400 -0.252 0.000 2.227 527 K HA 0.676 4.997 4.320 0.001 0.000 0.280 527 K C -1.538 174.834 176.600 -0.380 0.000 1.041 527 K CA -0.363 55.604 56.287 -0.533 0.000 0.905 527 K CB 1.086 33.270 32.500 -0.526 0.000 1.068 527 K HN 0.544 nan 8.250 nan 0.000 0.470 528 V N 4.475 124.117 119.914 -0.452 0.000 2.340 528 V HA 0.075 4.196 4.120 0.001 0.000 0.277 528 V C -0.829 175.097 176.094 -0.281 0.000 1.017 528 V CA -0.861 61.272 62.300 -0.279 0.000 0.820 528 V CB 1.057 32.758 31.823 -0.203 0.000 1.028 528 V HN 0.786 nan 8.190 nan 0.000 0.436 529 D N 4.869 125.138 120.400 -0.219 0.000 2.524 529 D HA 0.297 4.938 4.640 0.001 0.000 0.222 529 D C 0.053 176.321 176.300 -0.054 0.000 1.142 529 D CA -0.106 53.815 54.000 -0.131 0.000 0.973 529 D CB 0.387 41.162 40.800 -0.042 0.000 1.025 529 D HN 0.396 nan 8.370 nan 0.000 0.519 530 L N 2.118 123.301 121.223 -0.067 0.000 2.456 530 L HA 0.168 4.509 4.340 0.001 0.000 0.272 530 L C 0.281 177.155 176.870 0.008 0.000 1.189 530 L CA 0.284 55.100 54.840 -0.039 0.000 0.846 530 L CB 0.656 42.699 42.059 -0.027 0.000 1.111 530 L HN 0.196 nan 8.230 nan 0.000 0.475 531 D N 2.266 122.688 120.400 0.036 0.000 2.441 531 D HA 0.189 4.830 4.640 0.001 0.000 0.287 531 D C -0.648 175.727 176.300 0.125 0.000 1.198 531 D CA -0.215 53.831 54.000 0.078 0.000 0.894 531 D CB 1.135 41.993 40.800 0.097 0.000 1.070 531 D HN 0.006 nan 8.370 nan 0.000 0.499 532 V N 1.160 121.170 119.914 0.160 0.000 2.425 532 V HA 0.280 4.401 4.120 0.001 0.000 0.276 532 V C 1.304 177.610 176.094 0.354 0.000 1.017 532 V CA -0.453 62.009 62.300 0.269 0.000 1.062 532 V CB 0.175 32.203 31.823 0.342 0.000 0.997 532 V HN 0.689 nan 8.190 nan 0.000 0.476 533 A N 3.751 126.835 122.820 0.441 0.000 2.640 533 A HA 0.147 4.467 4.320 0.001 0.000 0.300 533 A C 1.167 178.914 177.584 0.272 0.000 1.499 533 A CA 1.247 53.489 52.037 0.342 0.000 0.759 533 A CB -1.454 17.718 19.000 0.287 0.000 1.048 533 A HN 2.806 nan 8.150 nan 0.000 0.450 534 G N -2.753 106.181 108.800 0.223 0.000 2.408 534 G HA2 0.183 4.143 3.960 0.001 0.000 0.682 534 G HA3 0.183 4.143 3.960 0.001 0.000 0.682 534 G C 0.302 175.283 174.900 0.135 0.000 1.303 534 G CA -0.292 44.915 45.100 0.177 0.000 0.966 534 G HN 0.959 nan 8.290 nan 0.000 0.560 535 L N -0.013 121.264 121.223 0.089 0.000 2.023 535 L HA 0.115 4.456 4.340 0.001 0.000 0.205 535 L C 1.404 178.276 176.870 0.003 0.000 1.073 535 L CA 1.114 55.973 54.840 0.032 0.000 0.745 535 L CB -0.492 41.566 42.059 -0.002 0.000 0.900 535 L HN 0.570 nan 8.230 nan 0.000 0.435 536 E N 1.712 121.911 120.200 -0.001 0.000 2.406 536 E HA 0.084 4.434 4.350 0.001 0.000 0.258 536 E C -0.826 175.735 176.600 -0.065 0.000 1.043 536 E CA 0.493 56.823 56.400 -0.117 0.000 0.929 536 E CB 0.032 29.689 29.700 -0.071 0.000 0.969 536 E HN 0.266 nan 8.360 nan 0.000 0.462 537 N N 1.996 120.551 118.700 -0.242 0.000 2.405 537 N HA 0.469 5.209 4.740 0.001 0.000 0.285 537 N C -0.974 174.377 175.510 -0.265 0.000 1.262 537 N CA -0.901 52.141 53.050 -0.013 0.000 0.773 537 N CB 1.718 40.248 38.487 0.072 0.000 1.490 537 N HN 0.281 nan 8.380 nan 0.000 0.486 538 W N 0.559 121.870 121.300 0.019 0.000 2.902 538 W HA 0.566 5.226 4.660 0.001 0.000 0.346 538 W C -1.027 175.394 176.519 -0.162 0.000 1.139 538 W CA -0.574 56.698 57.345 -0.120 0.000 1.139 538 W CB 1.641 30.979 29.460 -0.204 0.000 1.439 538 W HN 0.061 nan 8.180 nan 0.000 0.558 539 V N 0.981 120.826 119.914 -0.115 0.000 2.459 539 V HA 0.380 4.500 4.120 0.001 0.000 0.295 539 V C -1.202 174.662 176.094 -0.384 0.000 1.029 539 V CA -0.469 61.747 62.300 -0.140 0.000 0.874 539 V CB 1.458 33.249 31.823 -0.053 0.000 0.985 539 V HN 0.435 nan 8.190 nan 0.000 0.438 540 W N 2.398 123.517 121.300 -0.301 0.000 2.702 540 W HA 0.777 5.437 4.660 0.001 0.000 0.331 540 W C -0.115 176.233 176.519 -0.285 0.000 1.049 540 W CA -0.547 56.541 57.345 -0.428 0.000 1.230 540 W CB 2.100 30.905 29.460 -1.091 0.000 1.408 540 W HN 0.649 nan 8.180 nan 0.000 0.492 541 A N 2.700 125.644 122.820 0.207 0.000 2.318 541 A HA 0.744 5.064 4.320 0.001 0.000 0.317 541 A C -0.845 176.892 177.584 0.255 0.000 1.159 541 A CA -0.640 51.524 52.037 0.211 0.000 0.799 541 A CB 0.939 20.056 19.000 0.195 0.000 1.194 541 A HN 0.673 nan 8.150 nan 0.000 0.479 542 E N 1.297 121.649 120.200 0.253 0.000 2.256 542 E HA 0.549 4.899 4.350 0.001 0.000 0.267 542 E C -1.280 175.384 176.600 0.106 0.000 0.892 542 E CA -0.710 55.791 56.400 0.168 0.000 0.775 542 E CB 2.367 32.141 29.700 0.122 0.000 1.207 542 E HN 0.718 nan 8.360 nan 0.000 0.420 543 D N 0.797 121.223 120.400 0.043 0.000 2.921 543 D HA 0.370 5.011 4.640 0.001 0.000 0.329 543 D C -1.238 175.036 176.300 -0.043 0.000 1.293 543 D CA -0.466 53.548 54.000 0.022 0.000 0.964 543 D CB 1.782 42.611 40.800 0.047 0.000 1.435 543 D HN 0.435 nan 8.370 nan 0.000 0.548 544 M N 0.075 119.639 119.600 -0.060 0.000 2.662 544 M HA 0.774 5.255 4.480 0.001 0.000 0.310 544 M C -1.348 174.867 176.300 -0.143 0.000 1.204 544 M CA -0.809 54.407 55.300 -0.141 0.000 0.891 544 M CB 2.568 35.053 32.600 -0.191 0.000 1.732 544 M HN 0.116 nan 8.290 nan 0.000 0.467 545 V N 1.532 121.306 119.914 -0.233 0.000 3.147 545 V HA 0.605 4.726 4.120 0.001 0.000 0.299 545 V C -2.109 173.809 176.094 -0.293 0.000 1.302 545 V CA -0.590 61.608 62.300 -0.170 0.000 1.015 545 V CB 2.768 34.563 31.823 -0.047 0.000 1.086 545 V HN 0.900 nan 8.190 nan 0.000 0.437 546 F N 3.820 123.776 119.950 0.010 0.000 2.422 546 F HA 0.768 5.295 4.527 0.001 0.000 0.333 546 F C 0.062 175.865 175.800 0.005 0.000 1.095 546 F CA -0.629 57.374 58.000 0.006 0.000 1.038 546 F CB 2.122 41.125 39.000 0.004 0.000 1.156 546 F HN 0.262 nan 8.300 nan 0.000 0.483 547 V N 4.249 124.279 119.914 0.193 0.000 2.482 547 V HA 0.329 4.450 4.120 0.001 0.000 0.295 547 V C -2.312 173.833 176.094 0.086 0.000 1.026 547 V CA -2.138 60.225 62.300 0.106 0.000 0.856 547 V CB 1.771 33.630 31.823 0.060 0.000 1.001 547 V HN 0.496 nan 8.190 nan 0.000 0.424 548 P HA 0.303 nan 4.420 nan 0.000 0.267 548 P C -0.496 176.813 177.300 0.015 0.000 1.200 548 P CA 0.205 63.322 63.100 0.029 0.000 0.772 548 P CB 0.420 32.129 31.700 0.015 0.000 0.855 549 M N 0.935 120.533 119.600 -0.004 0.000 2.426 549 M HA 0.411 4.891 4.480 0.001 0.000 0.289 549 M C -1.074 175.197 176.300 -0.049 0.000 1.168 549 M CA -0.826 54.461 55.300 -0.021 0.000 0.933 549 M CB 2.337 34.927 32.600 -0.017 0.000 1.750 549 M HN 0.264 nan 8.290 nan 0.000 0.494 550 A N 2.398 125.182 122.820 -0.059 0.000 2.488 550 A HA 0.455 4.776 4.320 0.001 0.000 0.249 550 A C -0.136 177.356 177.584 -0.153 0.000 1.083 550 A CA -0.330 51.653 52.037 -0.089 0.000 0.768 550 A CB -0.010 18.945 19.000 -0.075 0.000 1.017 550 A HN 0.597 nan 8.150 nan 0.000 0.496 551 V N 6.069 125.843 119.914 -0.233 0.000 2.450 551 V HA 0.025 4.145 4.120 0.001 0.000 0.281 551 V C -1.261 174.546 176.094 -0.477 0.000 1.019 551 V CA -0.426 61.580 62.300 -0.490 0.000 1.062 551 V CB 0.646 32.071 31.823 -0.664 0.000 0.979 551 V HN 0.832 nan 8.190 nan 0.000 0.477 552 P HA -0.159 nan 4.420 nan 0.000 0.216 552 P C 1.146 178.423 177.300 -0.038 0.000 1.157 552 P CA 1.773 64.796 63.100 -0.128 0.000 0.880 552 P CB 0.003 31.735 31.700 0.052 0.000 0.791 553 W N -1.680 119.635 121.300 0.025 0.000 3.388 553 W HA 0.513 5.174 4.660 0.001 0.000 0.324 553 W C 0.047 176.591 176.519 0.042 0.000 1.250 553 W CA 0.030 57.390 57.345 0.026 0.000 1.809 553 W CB -0.438 29.032 29.460 0.018 0.000 1.083 553 W HN -0.121 nan 8.180 nan 0.000 0.685 554 S N 0.239 115.791 115.700 -0.247 0.000 2.835 554 S HA 0.199 4.670 4.470 0.001 0.000 0.140 554 S C -2.113 172.427 174.600 -0.100 0.000 1.131 554 S CA -0.616 57.534 58.200 -0.083 0.000 1.110 554 S CB -0.117 63.099 63.200 0.026 0.000 1.683 554 S HN -0.159 nan 8.310 nan 0.000 0.473 555 P HA 0.029 nan 4.420 nan 0.000 0.223 555 P C 1.530 178.768 177.300 -0.103 0.000 1.144 555 P CA 1.584 64.626 63.100 -0.097 0.000 0.783 555 P CB 0.021 31.681 31.700 -0.067 0.000 0.771 556 E N -0.789 119.332 120.200 -0.133 0.000 2.396 556 E HA -0.187 4.163 4.350 0.001 0.000 0.200 556 E C 0.275 176.662 176.600 -0.355 0.000 1.023 556 E CA 1.168 57.427 56.400 -0.234 0.000 0.857 556 E CB -1.348 28.185 29.700 -0.278 0.000 0.775 556 E HN 0.495 nan 8.360 nan 0.000 0.525 557 H N -2.295 116.715 119.070 -0.100 0.000 2.621 557 H HA 0.585 5.142 4.556 0.001 0.000 0.360 557 H C -0.664 174.588 175.328 -0.127 0.000 1.163 557 H CA -0.846 55.138 56.048 -0.107 0.000 1.194 557 H CB 1.877 31.565 29.762 -0.123 0.000 1.649 557 H HN 0.189 nan 8.280 nan 0.000 0.532 558 Q N 2.443 122.280 119.800 0.062 0.000 2.331 558 Q HA 0.438 4.779 4.340 0.001 0.000 0.267 558 Q C -1.689 174.295 176.000 -0.027 0.000 1.006 558 Q CA -0.890 54.908 55.803 -0.008 0.000 0.818 558 Q CB 1.032 29.767 28.738 -0.005 0.000 1.276 558 Q HN 0.595 nan 8.270 nan 0.000 0.450 559 L N 0.723 121.916 121.223 -0.050 0.000 2.354 559 L HA 0.695 5.036 4.340 0.001 0.000 0.269 559 L C -0.967 175.899 176.870 -0.007 0.000 1.005 559 L CA -0.995 53.821 54.840 -0.040 0.000 0.819 559 L CB 2.089 44.112 42.059 -0.060 0.000 1.311 559 L HN 0.421 nan 8.230 nan 0.000 0.423 560 Q N 3.019 122.823 119.800 0.006 0.000 2.406 560 Q HA 0.273 4.614 4.340 0.001 0.000 0.242 560 Q C -0.757 175.366 176.000 0.206 0.000 1.036 560 Q CA -0.243 55.594 55.803 0.057 0.000 0.904 560 Q CB 1.275 29.954 28.738 -0.098 0.000 1.244 560 Q HN 0.507 nan 8.270 nan 0.000 0.478 561 R N 2.955 123.569 120.500 0.190 0.000 2.248 561 R HA 0.171 4.511 4.340 0.001 0.000 0.337 561 R C -0.728 175.662 176.300 0.150 0.000 1.106 561 R CA -0.544 55.648 56.100 0.153 0.000 0.959 561 R CB -0.367 29.978 30.300 0.075 0.000 1.075 561 R HN 0.413 nan 8.270 nan 0.000 0.480 562 L N 3.617 124.920 121.223 0.133 0.000 2.455 562 L HA 0.201 4.541 4.340 0.001 0.000 0.272 562 L C -0.732 176.047 176.870 -0.152 0.000 1.174 562 L CA 1.067 55.792 54.840 -0.191 0.000 0.869 562 L CB 0.502 42.437 42.059 -0.208 0.000 1.130 562 L HN 0.741 nan 8.230 nan 0.000 0.474 563 Q N 3.293 122.964 119.800 -0.216 0.000 2.456 563 Q HA 0.542 4.882 4.340 0.001 0.000 0.284 563 Q C -1.489 174.425 176.000 -0.144 0.000 1.061 563 Q CA -1.127 54.598 55.803 -0.129 0.000 0.799 563 Q CB 2.475 31.169 28.738 -0.074 0.000 1.445 563 Q HN 0.456 nan 8.270 nan 0.000 0.411 564 V N 1.736 121.590 119.914 -0.100 0.000 2.383 564 V HA 0.290 4.411 4.120 0.001 0.000 0.275 564 V C 0.203 176.271 176.094 -0.043 0.000 1.036 564 V CA -0.382 61.863 62.300 -0.091 0.000 0.889 564 V CB 1.139 32.908 31.823 -0.091 0.000 0.985 564 V HN 0.897 nan 8.190 nan 0.000 0.459 565 T N 3.420 117.958 114.554 -0.026 0.000 2.882 565 T HA 0.688 5.038 4.350 0.001 0.000 0.287 565 T C -0.362 174.374 174.700 0.060 0.000 0.992 565 T CA -0.776 61.337 62.100 0.022 0.000 1.076 565 T CB 1.397 70.284 68.868 0.031 0.000 0.961 565 T HN 0.724 nan 8.240 nan 0.000 0.490 566 R N 1.294 121.855 120.500 0.101 0.000 2.574 566 R HA 0.595 4.935 4.340 0.001 0.000 0.288 566 R C -1.455 174.985 176.300 0.234 0.000 1.004 566 R CA -0.819 55.388 56.100 0.179 0.000 0.895 566 R CB 1.561 31.959 30.300 0.164 0.000 1.191 566 R HN 0.810 nan 8.270 nan 0.000 0.444 567 K N 4.278 124.851 120.400 0.287 0.000 2.468 567 K HA 0.336 4.657 4.320 0.001 0.000 0.252 567 K C -1.657 175.053 176.600 0.183 0.000 0.932 567 K CA -0.907 55.511 56.287 0.218 0.000 0.794 567 K CB 1.612 34.192 32.500 0.134 0.000 1.241 567 K HN 0.441 nan 8.250 nan 0.000 0.428 568 L N 5.441 126.639 121.223 -0.041 0.000 2.290 568 L HA 0.353 4.693 4.340 0.001 0.000 0.284 568 L C -1.080 175.649 176.870 -0.235 0.000 1.078 568 L CA -0.122 54.433 54.840 -0.475 0.000 0.815 568 L CB 0.699 42.333 42.059 -0.709 0.000 1.162 568 L HN 0.561 nan 8.230 nan 0.000 0.435 569 L N 5.841 126.934 121.223 -0.217 0.000 2.283 569 L HA 0.394 4.735 4.340 0.001 0.000 0.287 569 L C 1.284 178.086 176.870 -0.113 0.000 1.073 569 L CA 0.066 54.845 54.840 -0.102 0.000 0.822 569 L CB 0.901 42.938 42.059 -0.037 0.000 1.186 569 L HN 0.891 nan 8.230 nan 0.000 0.436 570 E N 4.241 124.392 120.200 -0.081 0.000 2.162 570 E HA 0.127 4.478 4.350 0.001 0.000 0.193 570 E C 0.774 177.335 176.600 -0.064 0.000 0.953 570 E CA 0.610 56.971 56.400 -0.065 0.000 0.849 570 E CB 0.373 30.048 29.700 -0.042 0.000 0.810 570 E HN 0.511 nan 8.360 nan 0.000 0.470 571 M N 0.309 119.874 119.600 -0.059 0.000 2.537 571 M HA 0.370 4.850 4.480 0.001 0.000 0.324 571 M C 0.674 176.936 176.300 -0.063 0.000 1.187 571 M CA -0.445 54.820 55.300 -0.057 0.000 0.993 571 M CB 1.442 34.014 32.600 -0.047 0.000 1.666 571 M HN 0.290 nan 8.290 nan 0.000 0.461 572 E N 1.033 121.198 120.200 -0.058 0.000 2.114 572 E HA -0.239 4.111 4.350 0.001 0.000 0.199 572 E C 1.246 177.802 176.600 -0.073 0.000 1.008 572 E CA 1.871 58.238 56.400 -0.055 0.000 0.810 572 E CB 0.244 29.914 29.700 -0.049 0.000 0.739 572 E HN 0.605 nan 8.360 nan 0.000 0.456 573 E N 0.288 120.444 120.200 -0.073 0.000 2.204 573 E HA -0.204 4.147 4.350 0.001 0.000 0.194 573 E C 1.865 178.388 176.600 -0.129 0.000 0.989 573 E CA 0.703 57.056 56.400 -0.080 0.000 0.824 573 E CB -0.137 29.530 29.700 -0.054 0.000 0.756 573 E HN 0.418 nan 8.360 nan 0.000 0.477 574 Q N 0.156 119.878 119.800 -0.129 0.000 2.435 574 Q HA 0.070 4.410 4.340 0.001 0.000 0.207 574 Q C 1.443 177.267 176.000 -0.292 0.000 0.956 574 Q CA 0.796 56.496 55.803 -0.172 0.000 0.917 574 Q CB 0.298 28.981 28.738 -0.091 0.000 0.997 574 Q HN 0.185 nan 8.270 nan 0.000 0.497 575 A N 0.167 122.845 122.820 -0.237 0.000 2.465 575 A HA 0.513 4.833 4.320 0.001 0.000 0.255 575 A C 0.483 177.910 177.584 -0.262 0.000 1.274 575 A CA -0.127 51.788 52.037 -0.203 0.000 0.920 575 A CB 0.409 19.413 19.000 0.007 0.000 1.033 575 A HN 0.165 nan 8.150 nan 0.000 0.516 576 A N 0.370 122.965 122.820 -0.376 0.000 2.412 576 A HA 0.667 4.987 4.320 0.001 0.000 0.334 576 A C -0.902 176.618 177.584 -0.107 0.000 1.419 576 A CA -0.374 51.605 52.037 -0.097 0.000 0.930 576 A CB -0.510 18.494 19.000 0.007 0.000 1.149 576 A HN 0.265 nan 8.150 nan 0.000 0.515 577 F N 3.110 123.235 119.950 0.292 0.000 2.350 577 F HA 0.370 4.897 4.527 0.001 0.000 0.365 577 F C 0.229 176.163 175.800 0.224 0.000 1.122 577 F CA -0.702 57.429 58.000 0.218 0.000 1.139 577 F CB 0.810 39.905 39.000 0.158 0.000 1.220 577 F HN 0.294 nan 8.300 nan 0.000 0.499 578 L N 3.231 124.587 121.223 0.221 0.000 2.467 578 L HA 0.127 4.468 4.340 0.001 0.000 0.270 578 L C 0.290 177.211 176.870 0.086 0.000 1.205 578 L CA -0.080 54.771 54.840 0.018 0.000 0.828 578 L CB 0.218 42.225 42.059 -0.087 0.000 1.101 578 L HN 0.261 nan 8.230 nan 0.000 0.479 579 V N 2.472 122.402 119.914 0.025 0.000 2.585 579 V HA 0.344 4.464 4.120 0.001 0.000 0.296 579 V C 1.203 177.318 176.094 0.035 0.000 1.035 579 V CA 1.463 63.794 62.300 0.052 0.000 1.084 579 V CB 0.310 32.153 31.823 0.032 0.000 0.953 579 V HN 1.030 nan 8.190 nan 0.000 0.483 580 G N 4.064 112.894 108.800 0.050 0.000 2.284 580 G HA2 -0.252 3.709 3.960 0.001 0.000 0.230 580 G HA3 -0.252 3.709 3.960 0.001 0.000 0.230 580 G C 0.536 175.467 174.900 0.052 0.000 1.021 580 G CA 0.151 45.274 45.100 0.039 0.000 0.619 580 G HN 0.748 nan 8.290 nan 0.000 0.510 581 S N 1.314 117.061 115.700 0.078 0.000 2.573 581 S HA 0.538 5.009 4.470 0.001 0.000 0.277 581 S C 0.909 175.573 174.600 0.105 0.000 1.346 581 S CA 0.266 58.532 58.200 0.109 0.000 1.034 581 S CB 1.201 64.509 63.200 0.180 0.000 0.879 581 S HN 1.617 nan 8.310 nan 0.000 0.528 582 A N 2.162 125.042 122.820 0.100 0.000 2.462 582 A HA 0.484 4.804 4.320 0.001 0.000 0.243 582 A C 0.491 178.119 177.584 0.073 0.000 1.076 582 A CA -0.099 51.981 52.037 0.072 0.000 0.773 582 A CB 0.169 nan 19.000 nan 0.000 1.010 582 A HN 0.675 nan 8.150 nan 0.000 0.493 583 T N 2.439 116.977 114.554 -0.027 0.000 2.876 583 T HA 0.619 4.970 4.350 0.001 0.000 0.289 583 T C -2.855 171.750 174.700 -0.159 0.000 1.014 583 T CA -1.622 60.349 62.100 -0.215 0.000 0.986 583 T CB 0.854 69.555 68.868 -0.279 0.000 1.021 583 T HN 0.452 nan 8.240 nan 0.000 0.458 584 P HA 0.258 nan 4.420 nan 0.000 0.262 584 P C 0.646 177.925 177.300 -0.036 0.000 1.182 584 P CA -0.108 62.960 63.100 -0.052 0.000 0.761 584 P CB 0.479 32.170 31.700 -0.016 0.000 0.795 585 R N 1.416 121.941 120.500 0.042 0.000 2.152 585 R HA -0.077 4.263 4.340 0.001 0.000 0.232 585 R C -0.019 176.319 176.300 0.064 0.000 1.117 585 R CA 1.285 57.421 56.100 0.060 0.000 0.981 585 R CB -0.088 30.288 30.300 0.127 0.000 0.870 585 R HN 0.505 nan 8.270 nan 0.000 0.451 586 Y N -0.300 119.967 120.300 -0.055 0.000 2.332 586 Y HA 0.375 4.925 4.550 0.001 0.000 0.326 586 Y C -0.875 175.051 175.900 0.044 0.000 0.978 586 Y CA -0.777 57.281 58.100 -0.069 0.000 1.205 586 Y CB 1.583 39.952 38.460 -0.153 0.000 1.131 586 Y HN -0.108 nan 8.280 nan 0.000 0.462 587 L N 6.636 127.944 121.223 0.142 0.000 2.381 587 L HA 0.713 5.053 4.340 0.001 0.000 0.274 587 L C -1.681 175.350 176.870 0.268 0.000 0.988 587 L CA -0.674 54.270 54.840 0.174 0.000 0.824 587 L CB 1.243 43.326 42.059 0.039 0.000 1.263 587 L HN 0.617 nan 8.230 nan 0.000 0.410 588 Y N 2.857 123.251 120.300 0.157 0.000 2.597 588 Y HA 0.759 5.309 4.550 0.001 0.000 0.340 588 Y C -1.949 174.126 175.900 0.292 0.000 1.097 588 Y CA -1.479 56.735 58.100 0.190 0.000 1.037 588 Y CB 1.167 39.728 38.460 0.169 0.000 1.305 588 Y HN 0.337 nan 8.280 nan 0.000 0.463 589 L N 2.791 124.258 121.223 0.406 0.000 2.317 589 L HA 0.928 5.269 4.340 0.001 0.000 0.281 589 L C -0.227 176.943 176.870 0.500 0.000 1.024 589 L CA -0.474 54.569 54.840 0.339 0.000 0.810 589 L CB 1.682 43.878 42.059 0.228 0.000 1.240 589 L HN 0.969 nan 8.230 nan 0.000 0.427 590 A N 1.193 124.332 122.820 0.532 0.000 2.556 590 A HA 0.833 5.153 4.320 0.001 0.000 0.294 590 A C -0.606 177.312 177.584 0.556 0.000 1.091 590 A CA -0.520 51.876 52.037 0.597 0.000 0.704 590 A CB 1.452 20.904 19.000 0.752 0.000 1.300 590 A HN 0.633 nan 8.150 nan 0.000 0.406 591 S N 0.683 116.660 115.700 0.461 0.000 2.617 591 S HA 0.199 4.669 4.470 0.001 0.000 0.269 591 S C 0.936 175.689 174.600 0.255 0.000 1.292 591 S CA -0.242 58.192 58.200 0.389 0.000 1.010 591 S CB 0.783 64.160 63.200 0.294 0.000 0.944 591 S HN 0.728 nan 8.310 nan 0.000 0.536 592 N N 1.268 120.032 118.700 0.107 0.000 2.094 592 N HA -0.153 4.588 4.740 0.001 0.000 0.191 592 N C 0.347 175.717 175.510 -0.233 0.000 1.023 592 N CA 1.361 54.229 53.050 -0.303 0.000 0.857 592 N CB -0.721 37.569 38.487 -0.328 0.000 1.013 592 N HN 0.692 nan 8.380 nan 0.000 0.426 593 H N -0.842 118.266 119.070 0.064 0.000 2.603 593 H HA 0.297 4.853 4.556 0.001 0.000 0.370 593 H C 0.136 175.462 175.328 -0.004 0.000 1.225 593 H CA 0.021 56.076 56.048 0.013 0.000 1.410 593 H CB 0.726 30.494 29.762 0.010 0.000 1.495 593 H HN -0.024 nan 8.280 nan 0.000 0.602 594 S N 0.909 116.663 115.700 0.090 0.000 2.648 594 S HA 0.191 4.661 4.470 0.001 0.000 0.305 594 S C 0.482 175.043 174.600 -0.065 0.000 1.094 594 S CA -1.043 57.159 58.200 0.003 0.000 0.983 594 S CB 1.477 64.655 63.200 -0.037 0.000 1.101 594 S HN 0.759 nan 8.310 nan 0.000 0.514 595 N N 1.084 119.727 118.700 -0.095 0.000 2.374 595 N HA 0.181 4.922 4.740 0.001 0.000 0.284 595 N C 0.766 176.094 175.510 -0.304 0.000 1.280 595 N CA -0.492 52.443 53.050 -0.192 0.000 0.963 595 N CB 0.055 38.450 38.487 -0.152 0.000 1.141 595 N HN 0.583 nan 8.380 nan 0.000 0.565 596 K N -0.717 119.347 120.400 -0.561 0.000 2.113 596 K HA -0.097 4.223 4.320 0.001 0.000 0.208 596 K C 0.536 176.663 176.600 -0.788 0.000 1.047 596 K CA 1.448 57.223 56.287 -0.853 0.000 0.928 596 K CB -0.186 31.471 32.500 -1.405 0.000 0.716 596 K HN 0.666 nan 8.250 nan 0.000 0.446 597 W N 0.318 121.599 121.300 -0.032 0.000 3.391 597 W HA 0.301 4.961 4.660 0.001 0.000 0.372 597 W C 0.859 177.302 176.519 -0.126 0.000 1.171 597 W CA -0.115 57.205 57.345 -0.041 0.000 1.862 597 W CB 0.119 29.590 29.460 0.018 0.000 1.048 597 W HN 0.242 nan 8.180 nan 0.000 0.726 598 G N 0.576 109.339 108.800 -0.061 0.000 2.153 598 G HA2 -0.283 3.678 3.960 0.001 0.000 0.252 598 G HA3 -0.283 3.678 3.960 0.001 0.000 0.252 598 G C 0.071 174.809 174.900 -0.270 0.000 0.994 598 G CA -0.195 44.810 45.100 -0.160 0.000 0.698 598 G HN 0.456 nan 8.290 nan 0.000 0.521 599 H N 0.447 119.489 119.070 -0.048 0.000 2.467 599 H HA 0.350 4.906 4.556 0.001 0.000 0.331 599 H C -2.256 173.026 175.328 -0.078 0.000 1.120 599 H CA -1.796 54.196 56.048 -0.094 0.000 1.270 599 H CB 1.482 31.162 29.762 -0.136 0.000 1.466 599 H HN 0.067 nan 8.280 nan 0.000 0.504 600 P HA 0.012 nan 4.420 nan 0.000 0.264 600 P C -0.120 177.266 177.300 0.144 0.000 1.183 600 P CA 0.243 63.398 63.100 0.091 0.000 0.763 600 P CB 0.585 32.353 31.700 0.113 0.000 0.807 601 R N 2.083 122.685 120.500 0.169 0.000 2.248 601 R HA 0.532 4.873 4.340 0.001 0.000 0.328 601 R C 0.725 177.266 176.300 0.402 0.000 1.067 601 R CA -0.030 56.184 56.100 0.190 0.000 0.924 601 R CB 0.481 30.805 30.300 0.040 0.000 1.013 601 R HN 0.600 nan 8.270 nan 0.000 0.454 602 G N 1.869 110.903 108.800 0.389 0.000 2.498 602 G HA2 0.479 4.439 3.960 0.001 0.000 0.312 602 G HA3 0.479 4.439 3.960 0.001 0.000 0.312 602 G C -1.778 173.323 174.900 0.334 0.000 1.230 602 G CA -0.340 45.049 45.100 0.481 0.000 0.968 602 G HN 0.409 nan 8.290 nan 0.000 0.481 603 Y N -0.053 120.406 120.300 0.265 0.000 2.425 603 Y HA 0.594 5.144 4.550 0.001 0.000 0.344 603 Y C 0.349 176.370 175.900 0.202 0.000 0.969 603 Y CA -0.841 57.336 58.100 0.128 0.000 1.052 603 Y CB 2.425 40.878 38.460 -0.011 0.000 1.215 603 Y HN 0.530 nan 8.280 nan 0.000 0.451 604 R N 4.992 125.618 120.500 0.209 0.000 2.445 604 R HA 0.611 4.952 4.340 0.001 0.000 0.308 604 R C -1.559 174.818 176.300 0.128 0.000 0.961 604 R CA -0.548 55.642 56.100 0.150 0.000 0.862 604 R CB 0.869 31.128 30.300 -0.069 0.000 1.144 604 R HN 0.774 nan 8.270 nan 0.000 0.447 605 I N 3.697 124.334 120.570 0.112 0.000 2.342 605 I HA 0.208 4.379 4.170 0.001 0.000 0.291 605 I C 0.027 176.162 176.117 0.030 0.000 1.010 605 I CA -0.208 61.144 61.300 0.087 0.000 1.308 605 I CB 1.564 39.582 38.000 0.030 0.000 1.400 605 I HN 0.492 nan 8.210 nan 0.000 0.488 606 Q N 7.376 127.227 119.800 0.084 0.000 2.321 606 Q HA 0.539 4.880 4.340 0.001 0.000 0.270 606 Q C -1.492 174.599 176.000 0.151 0.000 1.032 606 Q CA -0.759 55.069 55.803 0.041 0.000 0.784 606 Q CB 2.050 30.778 28.738 -0.015 0.000 1.264 606 Q HN 0.624 nan 8.270 nan 0.000 0.448 607 M N 3.689 123.340 119.600 0.086 0.000 2.167 607 M HA 0.434 4.914 4.480 0.001 0.000 0.333 607 M C -0.451 175.905 176.300 0.094 0.000 1.030 607 M CA -0.409 54.960 55.300 0.115 0.000 0.963 607 M CB 1.481 34.116 32.600 0.059 0.000 1.589 607 M HN 0.624 nan 8.290 nan 0.000 0.431 608 L N 2.774 124.055 121.223 0.098 0.000 2.315 608 L HA 0.708 5.048 4.340 0.001 0.000 0.278 608 L C -0.039 176.844 176.870 0.020 0.000 1.088 608 L CA -0.112 54.750 54.840 0.035 0.000 0.899 608 L CB 0.176 42.233 42.059 -0.004 0.000 1.277 608 L HN 0.802 nan 8.230 nan 0.000 0.431 609 S N 1.559 117.282 115.700 0.038 0.000 2.572 609 S HA 0.784 5.254 4.470 0.001 0.000 0.274 609 S C -0.311 174.326 174.600 0.061 0.000 1.150 609 S CA 0.419 58.660 58.200 0.069 0.000 0.944 609 S CB 1.185 64.464 63.200 0.132 0.000 1.071 609 S HN 1.736 nan 8.310 nan 0.000 0.479 610 F N 1.582 121.578 119.950 0.077 0.000 2.925 610 F HA 0.786 5.313 4.527 0.001 0.000 0.302 610 F C 0.936 176.809 175.800 0.122 0.000 1.189 610 F CA -0.532 57.514 58.000 0.077 0.000 1.346 610 F CB -1.169 37.857 39.000 0.044 0.000 0.954 610 F HN 1.096 nan 8.300 nan 0.000 0.506 611 A N 1.252 124.147 122.820 0.125 0.000 2.584 611 A HA 0.427 4.747 4.320 0.001 0.000 0.239 611 A C 1.262 178.892 177.584 0.077 0.000 1.043 611 A CA 0.581 52.693 52.037 0.125 0.000 0.756 611 A CB -0.611 18.465 19.000 0.128 0.000 0.963 611 A HN 1.714 nan 8.150 nan 0.000 0.511 612 G N 0.921 109.751 108.800 0.050 0.000 2.606 612 G HA2 0.544 4.505 3.960 0.001 0.000 0.252 612 G HA3 0.544 4.505 3.960 0.001 0.000 0.252 612 G C 0.334 175.229 174.900 -0.008 0.000 1.206 612 G CA 0.200 45.304 45.100 0.006 0.000 0.861 612 G HN 1.331 nan 8.290 nan 0.000 0.561 613 E N 1.741 121.930 120.200 -0.018 0.000 2.417 613 E HA 0.351 4.701 4.350 0.001 0.000 0.261 613 E C -1.716 174.860 176.600 -0.040 0.000 1.000 613 E CA -1.276 55.110 56.400 -0.023 0.000 0.919 613 E CB -0.436 29.251 29.700 -0.022 0.000 0.955 613 E HN 0.551 nan 8.360 nan 0.000 0.455 614 P HA 0.252 nan 4.420 nan 0.000 0.274 614 P C -0.182 177.093 177.300 -0.042 0.000 1.237 614 P CA -0.839 62.225 63.100 -0.059 0.000 0.793 614 P CB 0.755 32.410 31.700 -0.075 0.000 0.977 615 L N 4.008 125.222 121.223 -0.016 0.000 2.601 615 L HA 0.105 4.445 4.340 0.001 0.000 0.277 615 L C -2.035 174.825 176.870 -0.017 0.000 1.219 615 L CA -0.896 53.954 54.840 0.017 0.000 0.915 615 L CB -1.026 41.113 42.059 0.134 0.000 1.160 615 L HN 0.308 nan 8.230 nan 0.000 0.494 616 P HA 0.019 nan 4.420 nan 0.000 0.267 616 P C -0.029 177.238 177.300 -0.055 0.000 1.200 616 P CA -0.018 63.060 63.100 -0.037 0.000 0.772 616 P CB 0.450 32.137 31.700 -0.022 0.000 0.855 617 Q N 1.354 121.113 119.800 -0.068 0.000 2.124 617 Q HA -0.206 4.135 4.340 0.001 0.000 0.202 617 Q C 1.429 177.395 176.000 -0.058 0.000 0.977 617 Q CA 1.294 57.049 55.803 -0.080 0.000 0.850 617 Q CB -0.457 28.236 28.738 -0.076 0.000 0.901 617 Q HN 0.461 nan 8.270 nan 0.000 0.429 618 N N 0.789 119.466 118.700 -0.038 0.000 2.242 618 N HA -0.129 4.611 4.740 0.001 0.000 0.191 618 N C 0.403 175.905 175.510 -0.013 0.000 1.005 618 N CA 0.832 53.869 53.050 -0.022 0.000 0.877 618 N CB -0.135 38.343 38.487 -0.014 0.000 0.983 618 N HN 0.034 nan 8.380 nan 0.000 0.439 619 S N -0.709 114.979 115.700 -0.020 0.000 2.505 619 S HA 0.166 4.637 4.470 0.001 0.000 0.276 619 S C 1.351 175.941 174.600 -0.017 0.000 1.274 619 S CA -0.288 57.911 58.200 -0.002 0.000 1.053 619 S CB 0.627 63.825 63.200 -0.004 0.000 0.919 619 S HN 0.365 nan 8.310 nan 0.000 0.490 620 S N 5.591 121.324 115.700 0.055 0.000 2.399 620 S HA -0.173 4.298 4.470 0.001 0.000 0.231 620 S C 1.823 176.432 174.600 0.014 0.000 1.022 620 S CA 1.097 59.356 58.200 0.098 0.000 0.983 620 S CB -0.522 62.829 63.200 0.252 0.000 0.803 620 S HN 0.827 nan 8.310 nan 0.000 0.480 621 M N 1.507 121.066 119.600 -0.067 0.000 2.296 621 M HA 0.009 4.490 4.480 0.001 0.000 0.265 621 M C 2.277 178.193 176.300 -0.641 0.000 1.064 621 M CA 1.271 56.327 55.300 -0.406 0.000 1.109 621 M CB -0.474 31.988 32.600 -0.230 0.000 1.396 621 M HN 0.509 nan 8.290 nan 0.000 0.430 622 A N 0.779 123.281 122.820 -0.531 0.000 1.972 622 A HA -0.192 4.129 4.320 0.001 0.000 0.219 622 A C 2.274 179.366 177.584 -0.820 0.000 1.169 622 A CA 2.144 53.712 52.037 -0.782 0.000 0.635 622 A CB -1.141 17.642 19.000 -0.362 0.000 0.810 622 A HN 0.627 nan 8.150 nan 0.000 0.446 623 R N -0.522 119.684 120.500 -0.490 0.000 2.200 623 R HA -0.019 4.321 4.340 0.001 0.000 0.234 623 R C 2.282 178.354 176.300 -0.380 0.000 1.127 623 R CA 1.907 57.803 56.100 -0.341 0.000 0.989 623 R CB -1.990 28.197 30.300 -0.187 0.000 0.869 623 R HN 0.762 nan 8.270 nan 0.000 0.459 624 G N -0.226 108.238 108.800 -0.560 0.000 2.598 624 G HA2 0.153 4.113 3.960 0.001 0.000 0.215 624 G HA3 0.153 4.113 3.960 0.001 0.000 0.215 624 G C 0.553 175.320 174.900 -0.222 0.000 1.131 624 G CA 0.825 45.702 45.100 -0.373 0.000 0.785 624 G HN 0.878 nan 8.290 nan 0.000 0.539 625 F N -0.933 118.865 119.950 -0.253 0.000 2.514 625 F HA 0.343 4.871 4.527 0.001 0.000 0.374 625 F C 1.110 176.477 175.800 -0.721 0.000 1.532 625 F CA -0.769 56.912 58.000 -0.531 0.000 1.082 625 F CB -0.343 38.283 39.000 -0.623 0.000 1.610 625 F HN -0.029 nan 8.300 nan 0.000 0.531 626 S N -0.154 115.346 115.700 -0.334 0.000 2.474 626 S HA -0.164 4.306 4.470 0.001 0.000 0.235 626 S C 1.675 176.292 174.600 0.027 0.000 0.997 626 S CA 0.675 58.776 58.200 -0.166 0.000 0.949 626 S CB -0.825 62.351 63.200 -0.041 0.000 0.766 626 S HN 0.786 nan 8.310 nan 0.000 0.517 627 W N 2.007 123.309 121.300 0.003 0.000 2.341 627 W HA -0.055 4.606 4.660 0.001 0.000 0.283 627 W C 1.514 177.983 176.519 -0.083 0.000 1.215 627 W CA 0.952 58.131 57.345 -0.276 0.000 1.211 627 W CB -0.886 27.710 29.460 -1.440 0.000 1.131 627 W HN 0.403 nan 8.180 nan 0.000 0.552 628 E N 1.332 121.176 120.200 -0.594 0.000 2.219 628 E HA -0.226 4.124 4.350 0.001 0.000 0.198 628 E C 2.131 178.676 176.600 -0.090 0.000 0.998 628 E CA 1.583 57.731 56.400 -0.420 0.000 0.818 628 E CB -0.138 29.241 29.700 -0.534 0.000 0.741 628 E HN 0.399 nan 8.360 nan 0.000 0.477 629 R N -0.895 119.548 120.500 -0.095 0.000 2.236 629 R HA -0.029 4.312 4.340 0.001 0.000 0.208 629 R C 0.195 176.326 176.300 -0.282 0.000 1.036 629 R CA 0.405 56.370 56.100 -0.224 0.000 1.001 629 R CB 0.064 30.133 30.300 -0.385 0.000 0.896 629 R HN 0.108 nan 8.270 nan 0.000 0.464 630 Y N 0.360 120.744 120.300 0.140 0.000 2.419 630 Y HA 0.144 4.694 4.550 0.001 0.000 0.328 630 Y C 1.489 177.529 175.900 0.233 0.000 1.162 630 Y CA -0.698 57.530 58.100 0.214 0.000 1.174 630 Y CB 1.137 39.780 38.460 0.305 0.000 1.228 630 Y HN -0.173 nan 8.280 nan 0.000 0.473 631 Q N 1.005 121.041 119.800 0.393 0.000 2.204 631 Q HA 0.179 4.519 4.340 0.001 0.000 0.198 631 Q C -0.695 175.493 176.000 0.312 0.000 0.946 631 Q CA 0.529 56.511 55.803 0.299 0.000 0.859 631 Q CB 0.664 29.530 28.738 0.215 0.000 0.946 631 Q HN 0.521 nan 8.270 nan 0.000 0.474 632 L N -1.288 120.176 121.223 0.402 0.000 2.612 632 L HA 0.712 5.052 4.340 0.001 0.000 0.256 632 L C -2.317 174.821 176.870 0.446 0.000 0.949 632 L CA -0.619 54.434 54.840 0.354 0.000 0.867 632 L CB 2.193 44.404 42.059 0.255 0.000 1.417 632 L HN -0.077 nan 8.230 nan 0.000 0.414 633 A N 3.443 126.498 122.820 0.391 0.000 2.513 633 A HA 0.769 5.090 4.320 0.001 0.000 0.296 633 A C -1.897 175.914 177.584 0.379 0.000 1.052 633 A CA -0.470 51.766 52.037 0.332 0.000 0.714 633 A CB 1.757 20.898 19.000 0.234 0.000 1.279 633 A HN 0.725 nan 8.150 nan 0.000 0.397 634 V N 2.448 122.513 119.914 0.251 0.000 2.417 634 V HA 0.798 4.918 4.120 0.001 0.000 0.291 634 V C 0.383 176.587 176.094 0.183 0.000 1.024 634 V CA 0.166 62.593 62.300 0.213 0.000 0.861 634 V CB 1.526 33.420 31.823 0.118 0.000 0.985 634 V HN 1.221 nan 8.190 nan 0.000 0.436 635 T N 1.349 116.051 114.554 0.246 0.000 2.901 635 T HA 0.547 4.898 4.350 0.001 0.000 0.293 635 T C -0.569 174.198 174.700 0.112 0.000 1.084 635 T CA -0.906 61.304 62.100 0.184 0.000 1.008 635 T CB 1.653 70.699 68.868 0.297 0.000 1.170 635 T HN 0.504 nan 8.240 nan 0.000 0.509 636 Q N 0.969 120.793 119.800 0.040 0.000 2.330 636 Q HA 0.137 4.477 4.340 0.001 0.000 0.279 636 Q C 0.264 176.279 176.000 0.025 0.000 1.024 636 Q CA -0.016 55.783 55.803 -0.007 0.000 0.900 636 Q CB 0.749 29.462 28.738 -0.041 0.000 1.221 636 Q HN 0.409 nan 8.270 nan 0.000 0.396 637 R N 2.669 123.166 120.500 -0.004 0.000 2.438 637 R HA 0.177 4.517 4.340 0.001 0.000 0.287 637 R C -0.874 175.412 176.300 -0.022 0.000 1.077 637 R CA 0.301 56.402 56.100 0.002 0.000 1.034 637 R CB 0.500 30.779 30.300 -0.035 0.000 0.993 637 R HN 0.510 nan 8.270 nan 0.000 0.459 638 K N 2.958 123.348 120.400 -0.016 0.000 2.535 638 K HA 0.117 4.438 4.320 0.001 0.000 0.251 638 K C 0.029 176.616 176.600 -0.021 0.000 0.942 638 K CA -0.873 55.389 56.287 -0.041 0.000 0.798 638 K CB 1.985 34.433 32.500 -0.086 0.000 1.267 638 K HN 0.482 nan 8.250 nan 0.000 0.434 639 E N 1.789 121.983 120.200 -0.010 0.000 2.085 639 E HA -0.204 4.146 4.350 0.001 0.000 0.194 639 E C 1.252 177.863 176.600 0.019 0.000 0.994 639 E CA 1.449 57.861 56.400 0.020 0.000 0.801 639 E CB 0.283 29.994 29.700 0.018 0.000 0.743 639 E HN 0.653 nan 8.360 nan 0.000 0.453 640 E N 0.986 121.177 120.200 -0.016 0.000 2.526 640 E HA -0.108 4.242 4.350 0.001 0.000 0.198 640 E C -0.086 176.475 176.600 -0.064 0.000 1.091 640 E CA 0.449 56.835 56.400 -0.024 0.000 0.880 640 E CB -0.176 29.504 29.700 -0.033 0.000 0.873 640 E HN 0.212 nan 8.360 nan 0.000 0.527 641 E N 1.388 121.524 120.200 -0.107 0.000 3.896 641 E HA 0.144 4.495 4.350 0.001 0.000 0.217 641 E C -1.944 174.694 176.600 0.063 0.000 1.150 641 E CA -1.385 54.855 56.400 -0.267 0.000 1.338 641 E CB 1.142 30.385 29.700 -0.761 0.000 1.242 641 E HN 0.145 nan 8.360 nan 0.000 0.435 642 P HA 0.028 nan 4.420 nan 0.000 0.231 642 P C 0.035 177.586 177.300 0.420 0.000 1.168 642 P CA 0.452 63.719 63.100 0.280 0.000 0.779 642 P CB 0.648 32.486 31.700 0.229 0.000 0.844 643 S N -1.195 114.798 115.700 0.488 0.000 2.541 643 S HA 0.264 4.734 4.470 0.001 0.000 0.271 643 S C 0.724 175.607 174.600 0.471 0.000 1.133 643 S CA -0.332 58.164 58.200 0.493 0.000 0.876 643 S CB 1.740 65.133 63.200 0.322 0.000 1.105 643 S HN 0.032 nan 8.310 nan 0.000 0.470 644 S N 0.401 116.265 115.700 0.274 0.000 2.496 644 S HA 0.197 4.668 4.470 0.001 0.000 0.224 644 S C 0.868 175.479 174.600 0.019 0.000 0.996 644 S CA 0.246 58.419 58.200 -0.046 0.000 0.927 644 S CB 0.100 63.121 63.200 -0.299 0.000 0.774 644 S HN 0.468 nan 8.310 nan 0.000 0.524 645 S N -0.163 115.591 115.700 0.090 0.000 2.851 645 S HA 0.789 5.260 4.470 0.001 0.000 0.317 645 S C -1.159 173.523 174.600 0.136 0.000 1.144 645 S CA -0.389 57.886 58.200 0.124 0.000 0.862 645 S CB 1.900 65.163 63.200 0.104 0.000 1.259 645 S HN 0.405 nan 8.310 nan 0.000 0.564 646 S N -0.236 115.523 115.700 0.099 0.000 2.537 646 S HA 0.363 4.833 4.470 0.001 0.000 0.271 646 S C 0.335 174.876 174.600 -0.099 0.000 1.148 646 S CA -0.177 58.043 58.200 0.034 0.000 0.868 646 S CB 1.217 64.475 63.200 0.096 0.000 1.115 646 S HN 0.825 nan 8.310 nan 0.000 0.461 647 V N 3.992 123.689 119.914 -0.363 0.000 2.688 647 V HA 0.010 4.130 4.120 0.001 0.000 0.256 647 V C 1.010 176.792 176.094 -0.521 0.000 1.084 647 V CA 1.914 63.879 62.300 -0.558 0.000 1.103 647 V CB -0.827 30.339 31.823 -1.094 0.000 0.688 647 V HN 0.801 nan 8.190 nan 0.000 0.480 648 F N 0.242 120.116 119.950 -0.125 0.000 2.797 648 F HA 0.218 4.746 4.527 0.001 0.000 0.302 648 F C 1.824 177.564 175.800 -0.099 0.000 1.130 648 F CA 0.252 58.163 58.000 -0.148 0.000 1.387 648 F CB -0.868 38.020 39.000 -0.186 0.000 1.107 648 F HN 0.252 nan 8.300 nan 0.000 0.577 649 N N 0.090 118.831 118.700 0.068 0.000 2.290 649 N HA -0.123 4.618 4.740 0.001 0.000 0.179 649 N C 1.913 177.439 175.510 0.027 0.000 1.016 649 N CA 0.609 53.690 53.050 0.052 0.000 0.871 649 N CB -0.351 38.185 38.487 0.082 0.000 0.987 649 N HN 0.155 nan 8.380 nan 0.000 0.431 650 Q N 1.017 120.845 119.800 0.046 0.000 2.133 650 Q HA -0.098 4.243 4.340 0.001 0.000 0.208 650 Q C 1.002 177.009 176.000 0.011 0.000 0.991 650 Q CA 1.738 57.577 55.803 0.060 0.000 0.867 650 Q CB -0.218 28.574 28.738 0.090 0.000 0.911 650 Q HN 0.270 nan 8.270 nan 0.000 0.417 651 N N -0.368 118.338 118.700 0.011 0.000 2.405 651 N HA -0.004 4.737 4.740 0.001 0.000 0.175 651 N C -0.482 175.096 175.510 0.113 0.000 1.051 651 N CA 0.826 53.903 53.050 0.045 0.000 0.899 651 N CB 0.375 38.873 38.487 0.019 0.000 1.000 651 N HN 0.201 nan 8.380 nan 0.000 0.451 652 D N -0.049 120.394 120.400 0.071 0.000 2.613 652 D HA 0.197 4.838 4.640 0.001 0.000 0.312 652 D C -2.032 174.246 176.300 -0.037 0.000 1.202 652 D CA -1.779 52.318 54.000 0.161 0.000 0.825 652 D CB 1.109 42.077 40.800 0.280 0.000 1.113 652 D HN 0.023 nan 8.370 nan 0.000 0.502 653 P HA -0.013 nan 4.420 nan 0.000 0.231 653 P C 1.380 178.439 177.300 -0.401 0.000 1.168 653 P CA 0.307 63.158 63.100 -0.415 0.000 0.779 653 P CB 0.086 31.450 31.700 -0.559 0.000 0.844 654 W N 0.892 122.179 121.300 -0.022 0.000 2.436 654 W HA 0.190 4.850 4.660 0.001 0.000 0.284 654 W C 1.025 177.528 176.519 -0.027 0.000 1.225 654 W CA 0.668 57.990 57.345 -0.037 0.000 1.271 654 W CB -0.709 28.735 29.460 -0.026 0.000 1.114 654 W HN -0.001 nan 8.180 nan 0.000 0.559 655 A N 1.430 124.378 122.820 0.213 0.000 3.218 655 A HA 0.340 4.660 4.320 0.001 0.000 0.321 655 A C -2.305 175.317 177.584 0.063 0.000 1.012 655 A CA -1.096 51.020 52.037 0.131 0.000 0.948 655 A CB -0.543 18.557 19.000 0.166 0.000 1.050 655 A HN -0.250 nan 8.150 nan 0.000 0.492 656 P HA 0.021 nan 4.420 nan 0.000 0.264 656 P C 0.778 178.088 177.300 0.016 0.000 1.183 656 P CA 0.602 63.698 63.100 -0.006 0.000 0.763 656 P CB 0.900 32.574 31.700 -0.043 0.000 0.807 657 T N 1.180 115.746 114.554 0.020 0.000 2.812 657 T HA 0.024 4.375 4.350 0.001 0.000 0.264 657 T C 0.905 175.641 174.700 0.061 0.000 1.042 657 T CA 0.945 63.040 62.100 -0.008 0.000 1.140 657 T CB 0.026 68.878 68.868 -0.026 0.000 0.870 657 T HN 0.236 nan 8.240 nan 0.000 0.445 658 V N 1.999 121.970 119.914 0.095 0.000 2.555 658 V HA 0.504 4.625 4.120 0.001 0.000 0.302 658 V C -1.091 175.039 176.094 0.061 0.000 1.038 658 V CA -1.072 61.311 62.300 0.139 0.000 0.887 658 V CB 1.883 33.822 31.823 0.193 0.000 0.991 658 V HN 0.210 nan 8.190 nan 0.000 0.434 659 D N 2.604 123.017 120.400 0.021 0.000 2.440 659 D HA 0.257 4.897 4.640 0.001 0.000 0.252 659 D C 0.393 176.557 176.300 -0.227 0.000 1.180 659 D CA -0.589 53.374 54.000 -0.062 0.000 0.894 659 D CB 1.117 41.889 40.800 -0.047 0.000 1.111 659 D HN 0.303 nan 8.370 nan 0.000 0.544 660 F N 3.568 123.256 119.950 -0.437 0.000 2.095 660 F HA -0.220 4.308 4.527 0.001 0.000 0.298 660 F C 2.278 177.671 175.800 -0.677 0.000 1.104 660 F CA 2.238 59.733 58.000 -0.841 0.000 1.232 660 F CB -0.451 38.246 39.000 -0.505 0.000 0.987 660 F HN 0.420 nan 8.300 nan 0.000 0.475 661 S N -0.210 115.221 115.700 -0.449 0.000 2.402 661 S HA -0.265 4.205 4.470 0.001 0.000 0.233 661 S C 1.688 176.077 174.600 -0.351 0.000 1.030 661 S CA 1.590 59.566 58.200 -0.373 0.000 1.003 661 S CB -0.971 62.197 63.200 -0.053 0.000 0.813 661 S HN 0.497 nan 8.310 nan 0.000 0.477 662 D N 1.046 121.297 120.400 -0.249 0.000 2.265 662 D HA -0.026 4.615 4.640 0.001 0.000 0.208 662 D C 1.447 177.774 176.300 0.045 0.000 0.977 662 D CA 0.867 54.829 54.000 -0.064 0.000 0.871 662 D CB -0.505 40.324 40.800 0.049 0.000 0.925 662 D HN 0.618 nan 8.370 nan 0.000 0.485 663 F N 0.357 120.059 119.950 -0.412 0.000 2.259 663 F HA 0.027 4.554 4.527 0.001 0.000 0.298 663 F C 1.229 176.832 175.800 -0.329 0.000 1.088 663 F CA -0.144 57.629 58.000 -0.378 0.000 1.358 663 F CB 0.088 38.746 39.000 -0.570 0.000 1.040 663 F HN -0.184 nan 8.300 nan 0.000 0.505 664 I N 3.044 123.473 120.570 -0.234 0.000 2.329 664 I HA -0.027 4.144 4.170 0.001 0.000 0.295 664 I C 0.320 176.371 176.117 -0.109 0.000 1.109 664 I CA 0.191 61.373 61.300 -0.196 0.000 1.297 664 I CB 0.007 37.834 38.000 -0.288 0.000 1.433 664 I HN 0.241 nan 8.210 nan 0.000 0.509 665 N N 5.916 124.574 118.700 -0.069 0.000 2.390 665 N HA 0.012 4.753 4.740 0.001 0.000 0.259 665 N C -0.021 175.464 175.510 -0.040 0.000 1.395 665 N CA -0.359 52.663 53.050 -0.048 0.000 0.852 665 N CB 0.184 38.649 38.487 -0.037 0.000 1.371 665 N HN 0.555 nan 8.380 nan 0.000 0.491 666 N N 0.912 119.585 118.700 -0.043 0.000 2.771 666 N HA -0.163 4.578 4.740 0.001 0.000 0.249 666 N C -1.319 174.168 175.510 -0.037 0.000 1.069 666 N CA 1.038 54.065 53.050 -0.038 0.000 0.688 666 N CB -0.880 37.589 38.487 -0.031 0.000 0.928 666 N HN 0.674 nan 8.380 nan 0.000 0.551 667 E N -1.224 118.951 120.200 -0.043 0.000 2.370 667 E HA 0.466 4.816 4.350 0.001 0.000 0.259 667 E C -0.105 176.463 176.600 -0.052 0.000 0.947 667 E CA -0.970 55.404 56.400 -0.045 0.000 0.809 667 E CB 0.811 30.482 29.700 -0.048 0.000 1.300 667 E HN 0.146 nan 8.360 nan 0.000 0.419 668 T N 0.538 115.056 114.554 -0.060 0.000 2.907 668 T HA 0.290 4.640 4.350 0.001 0.000 0.298 668 T C 0.539 175.175 174.700 -0.106 0.000 1.017 668 T CA -0.321 61.732 62.100 -0.077 0.000 1.118 668 T CB 0.058 68.879 68.868 -0.078 0.000 0.948 668 T HN 0.501 nan 8.240 nan 0.000 0.531 669 I N 1.959 122.453 120.570 -0.126 0.000 3.833 669 I HA 0.552 4.722 4.170 0.001 0.000 0.328 669 I C 0.626 176.573 176.117 -0.284 0.000 1.554 669 I CA -0.918 60.281 61.300 -0.168 0.000 1.116 669 I CB 0.185 38.120 38.000 -0.108 0.000 1.182 669 I HN 0.509 nan 8.210 nan 0.000 0.459 670 A N 1.890 124.531 122.820 -0.297 0.000 2.774 670 A HA 0.664 4.984 4.320 0.001 0.000 0.326 670 A C 1.122 178.194 177.584 -0.854 0.000 1.478 670 A CA 0.198 51.980 52.037 -0.425 0.000 1.099 670 A CB -0.823 18.168 19.000 -0.015 0.000 1.148 670 A HN 1.018 nan 8.150 nan 0.000 0.519 671 G N 1.601 109.345 108.800 -1.760 0.000 2.356 671 G HA2 -0.131 3.829 3.960 0.001 0.000 0.233 671 G HA3 -0.131 3.829 3.960 0.001 0.000 0.233 671 G C -0.223 174.200 174.900 -0.795 0.000 1.105 671 G CA -0.062 43.891 45.100 -1.912 0.000 0.861 671 G HN 0.613 nan 8.290 nan 0.000 0.493 672 K N -0.298 119.748 120.400 -0.590 0.000 2.349 672 K HA 0.512 4.832 4.320 0.001 0.000 0.243 672 K C -0.656 175.803 176.600 -0.235 0.000 1.058 672 K CA -1.094 55.005 56.287 -0.313 0.000 0.871 672 K CB 0.938 33.303 32.500 -0.224 0.000 1.337 672 K HN 0.105 nan 8.250 nan 0.000 0.469 673 D N 1.899 122.211 120.400 -0.148 0.000 2.346 673 D HA 0.151 4.792 4.640 0.001 0.000 0.260 673 D C -0.433 175.810 176.300 -0.094 0.000 1.252 673 D CA 0.152 54.089 54.000 -0.105 0.000 0.895 673 D CB -0.001 40.746 40.800 -0.090 0.000 1.097 673 D HN 0.278 nan 8.370 nan 0.000 0.489 674 L N 2.783 123.956 121.223 -0.084 0.000 2.365 674 L HA 0.634 4.974 4.340 0.001 0.000 0.267 674 L C -0.054 176.778 176.870 -0.064 0.000 1.033 674 L CA -1.148 53.654 54.840 -0.063 0.000 0.802 674 L CB 1.956 43.980 42.059 -0.059 0.000 1.267 674 L HN 0.139 nan 8.230 nan 0.000 0.457 675 V N 0.707 120.582 119.914 -0.065 0.000 2.752 675 V HA 0.750 4.870 4.120 0.001 0.000 0.302 675 V C -0.820 175.131 176.094 -0.237 0.000 1.133 675 V CA -0.315 61.869 62.300 -0.194 0.000 0.919 675 V CB 1.841 33.491 31.823 -0.288 0.000 1.026 675 V HN 0.842 nan 8.190 nan 0.000 0.429 676 A N 5.857 128.505 122.820 -0.286 0.000 2.304 676 A HA 0.840 5.161 4.320 0.001 0.000 0.301 676 A C -1.322 176.013 177.584 -0.415 0.000 1.132 676 A CA -0.420 51.504 52.037 -0.188 0.000 0.819 676 A CB 0.667 19.598 19.000 -0.116 0.000 1.094 676 A HN 0.988 nan 8.150 nan 0.000 0.492 677 W N 2.006 123.286 121.300 -0.033 0.000 2.393 677 W HA 0.517 5.178 4.660 0.001 0.000 0.315 677 W C -0.840 175.578 176.519 -0.168 0.000 1.009 677 W CA -0.520 56.721 57.345 -0.174 0.000 1.313 677 W CB 1.650 31.107 29.460 -0.006 0.000 1.269 677 W HN 0.418 nan 8.180 nan 0.000 0.420 678 V N 3.194 123.020 119.914 -0.146 0.000 2.427 678 V HA 0.545 4.666 4.120 0.001 0.000 0.286 678 V C 0.170 176.370 176.094 0.176 0.000 1.034 678 V CA -0.527 61.710 62.300 -0.105 0.000 0.893 678 V CB 1.538 32.974 31.823 -0.646 0.000 0.982 678 V HN 0.437 nan 8.190 nan 0.000 0.452 679 T N 4.028 118.784 114.554 0.336 0.000 2.824 679 T HA 0.780 5.130 4.350 0.001 0.000 0.280 679 T C -0.151 174.782 174.700 0.388 0.000 0.995 679 T CA -0.268 62.113 62.100 0.468 0.000 1.009 679 T CB 1.605 70.781 68.868 0.514 0.000 0.955 679 T HN 0.999 nan 8.240 nan 0.000 0.452 680 A N 1.770 124.873 122.820 0.471 0.000 2.475 680 A HA 1.019 5.339 4.320 0.001 0.000 0.301 680 A C -0.053 177.829 177.584 0.495 0.000 1.059 680 A CA -0.401 51.899 52.037 0.439 0.000 0.710 680 A CB 1.878 21.165 19.000 0.478 0.000 1.288 680 A HN 1.184 nan 8.150 nan 0.000 0.408 681 G N -0.513 108.524 108.800 0.395 0.000 2.427 681 G HA2 0.789 4.749 3.960 0.001 0.000 0.306 681 G HA3 0.789 4.749 3.960 0.001 0.000 0.306 681 G C -1.176 173.965 174.900 0.402 0.000 1.280 681 G CA 0.213 45.552 45.100 0.398 0.000 0.837 681 G HN 2.057 nan 8.290 nan 0.000 0.482 682 F N -2.273 117.736 119.950 0.098 0.000 2.807 682 F HA 0.753 5.281 4.527 0.001 0.000 0.316 682 F C -1.697 174.120 175.800 0.029 0.000 1.162 682 F CA -1.415 56.603 58.000 0.030 0.000 0.910 682 F CB 1.363 40.343 39.000 -0.034 0.000 1.314 682 F HN 0.693 nan 8.300 nan 0.000 0.454 683 L N 2.230 123.533 121.223 0.132 0.000 2.312 683 L HA 0.504 4.845 4.340 0.001 0.000 0.281 683 L C -1.051 175.905 176.870 0.144 0.000 1.070 683 L CA -0.028 54.814 54.840 0.002 0.000 0.805 683 L CB 0.933 43.001 42.059 0.015 0.000 1.174 683 L HN 0.834 nan 8.230 nan 0.000 0.434 684 H N 5.613 124.549 119.070 -0.222 0.000 2.646 684 H HA 0.467 5.023 4.556 0.001 0.000 0.328 684 H C -1.064 174.139 175.328 -0.209 0.000 0.998 684 H CA -0.922 55.029 56.048 -0.163 0.000 1.225 684 H CB 1.080 30.675 29.762 -0.279 0.000 1.457 684 H HN 0.659 nan 8.280 nan 0.000 0.505 685 I N 8.302 128.976 120.570 0.173 0.000 2.307 685 I HA 0.212 4.382 4.170 0.001 0.000 0.287 685 I C -2.242 173.964 176.117 0.149 0.000 1.054 685 I CA -2.069 59.272 61.300 0.069 0.000 1.218 685 I CB 1.173 39.229 38.000 0.094 0.000 1.398 685 I HN 0.447 nan 8.210 nan 0.000 0.475 686 P HA 0.036 nan 4.420 nan 0.000 0.268 686 P C -0.882 176.460 177.300 0.071 0.000 1.208 686 P CA 0.495 63.506 63.100 -0.148 0.000 0.777 686 P CB 0.407 31.988 31.700 -0.197 0.000 0.875 687 H N -0.979 118.133 119.070 0.071 0.000 2.966 687 H HA 0.485 5.042 4.556 0.001 0.000 0.330 687 H C 0.658 176.015 175.328 0.048 0.000 1.292 687 H CA -0.828 55.251 56.048 0.051 0.000 1.127 687 H CB 0.470 30.265 29.762 0.055 0.000 1.863 687 H HN 0.344 nan 8.280 nan 0.000 0.543 688 A N 0.634 123.534 122.820 0.133 0.000 1.927 688 A HA -0.259 4.062 4.320 0.001 0.000 0.220 688 A C 1.680 179.287 177.584 0.038 0.000 1.185 688 A CA 2.303 54.380 52.037 0.066 0.000 0.639 688 A CB -0.882 18.164 19.000 0.076 0.000 0.820 688 A HN 0.752 nan 8.150 nan 0.000 0.451 689 E N 0.517 120.776 120.200 0.100 0.000 2.478 689 E HA -0.061 4.289 4.350 0.001 0.000 0.198 689 E C 0.714 177.285 176.600 -0.050 0.000 1.046 689 E CA 0.760 57.202 56.400 0.070 0.000 0.870 689 E CB -0.092 29.722 29.700 0.191 0.000 0.818 689 E HN 0.579 nan 8.360 nan 0.000 0.527 690 D N 0.059 120.354 120.400 -0.174 0.000 2.349 690 D HA -0.028 4.612 4.640 0.001 0.000 0.224 690 D C -0.015 176.240 176.300 -0.076 0.000 1.029 690 D CA 0.449 54.370 54.000 -0.132 0.000 0.879 690 D CB 0.419 41.135 40.800 -0.140 0.000 0.906 690 D HN 0.135 nan 8.370 nan 0.000 0.528 691 I N 2.454 122.994 120.570 -0.049 0.000 2.355 691 I HA 0.127 4.298 4.170 0.001 0.000 0.288 691 I C -1.271 174.834 176.117 -0.020 0.000 0.999 691 I CA -2.172 59.114 61.300 -0.023 0.000 1.163 691 I CB 1.487 39.488 38.000 0.002 0.000 1.316 691 I HN -0.261 nan 8.210 nan 0.000 0.454 692 P HA 0.013 nan 4.420 nan 0.000 0.216 692 P C 0.199 177.321 177.300 -0.298 0.000 1.156 692 P CA 0.961 64.006 63.100 -0.092 0.000 0.855 692 P CB 0.744 32.382 31.700 -0.103 0.000 0.786 693 N N -0.980 117.540 118.700 -0.300 0.000 2.432 693 N HA 0.257 4.998 4.740 0.001 0.000 0.292 693 N C -0.615 174.800 175.510 -0.158 0.000 1.193 693 N CA -0.510 52.345 53.050 -0.325 0.000 0.878 693 N CB 1.295 39.566 38.487 -0.360 0.000 1.252 693 N HN -0.198 nan 8.380 nan 0.000 0.520 694 T N 1.096 115.583 114.554 -0.112 0.000 2.814 694 T HA 0.156 4.507 4.350 0.001 0.000 0.297 694 T C 0.471 175.120 174.700 -0.084 0.000 0.956 694 T CA -0.593 61.474 62.100 -0.055 0.000 1.123 694 T CB 0.375 69.261 68.868 0.031 0.000 0.902 694 T HN 0.304 nan 8.240 nan 0.000 0.528 695 V N 2.303 122.171 119.914 -0.078 0.000 2.775 695 V HA 0.338 4.458 4.120 0.001 0.000 0.299 695 V C 1.395 177.434 176.094 -0.092 0.000 1.062 695 V CA -0.158 62.093 62.300 -0.082 0.000 1.063 695 V CB 0.707 32.493 31.823 -0.061 0.000 0.994 695 V HN 0.974 nan 8.190 nan 0.000 0.483 696 T N 0.347 114.841 114.554 -0.099 0.000 3.085 696 T HA 0.057 4.407 4.350 0.001 0.000 0.263 696 T C 0.663 175.339 174.700 -0.041 0.000 1.127 696 T CA 0.395 62.450 62.100 -0.074 0.000 1.103 696 T CB -0.508 68.241 68.868 -0.199 0.000 0.921 696 T HN 0.641 nan 8.240 nan 0.000 0.510 697 V N 2.682 122.554 119.914 -0.070 0.000 2.452 697 V HA 0.372 4.492 4.120 0.001 0.000 0.286 697 V C 1.793 177.834 176.094 -0.089 0.000 0.995 697 V CA 1.041 63.305 62.300 -0.060 0.000 1.116 697 V CB -0.768 31.022 31.823 -0.055 0.000 0.954 697 V HN 0.843 nan 8.190 nan 0.000 0.473 698 G N 4.804 113.551 108.800 -0.089 0.000 2.212 698 G HA2 -0.301 3.660 3.960 0.001 0.000 0.266 698 G HA3 -0.301 3.660 3.960 0.001 0.000 0.266 698 G C 0.685 175.411 174.900 -0.289 0.000 0.978 698 G CA 0.437 45.445 45.100 -0.153 0.000 0.632 698 G HN 0.651 nan 8.290 nan 0.000 0.537 699 N N 1.268 119.769 118.700 -0.332 0.000 2.322 699 N HA 0.213 4.954 4.740 0.001 0.000 0.194 699 N C 1.276 176.347 175.510 -0.731 0.000 1.126 699 N CA 0.797 53.459 53.050 -0.647 0.000 0.845 699 N CB 0.273 38.413 38.487 -0.579 0.000 0.976 699 N HN 0.637 nan 8.380 nan 0.000 0.475 700 G N 0.324 108.772 108.800 -0.586 0.000 2.403 700 G HA2 0.408 4.368 3.960 0.001 0.000 0.259 700 G HA3 0.408 4.368 3.960 0.001 0.000 0.259 700 G C -0.459 173.990 174.900 -0.752 0.000 1.244 700 G CA 0.004 44.483 45.100 -1.035 0.000 0.849 700 G HN -0.003 nan 8.290 nan 0.000 0.532 701 V N 1.438 120.883 119.914 -0.780 0.000 2.971 701 V HA 0.957 5.078 4.120 0.001 0.000 0.309 701 V C 0.552 176.477 176.094 -0.281 0.000 1.130 701 V CA 0.742 62.782 62.300 -0.434 0.000 0.964 701 V CB 1.929 33.563 31.823 -0.315 0.000 1.029 701 V HN 1.535 nan 8.190 nan 0.000 0.427 702 G N 3.388 112.115 108.800 -0.122 0.000 2.455 702 G HA2 0.464 4.424 3.960 0.001 0.000 0.223 702 G HA3 0.464 4.424 3.960 0.001 0.000 0.223 702 G C -1.508 173.393 174.900 0.003 0.000 1.226 702 G CA 0.193 45.236 45.100 -0.096 0.000 0.948 702 G HN 1.583 nan 8.290 nan 0.000 0.478 703 F N -2.001 117.726 119.950 -0.372 0.000 2.693 703 F HA 0.842 5.370 4.527 0.001 0.000 0.309 703 F C -1.666 173.887 175.800 -0.411 0.000 1.129 703 F CA -1.766 56.069 58.000 -0.276 0.000 0.948 703 F CB 1.017 39.911 39.000 -0.176 0.000 1.315 703 F HN 0.466 nan 8.300 nan 0.000 0.447 704 F N 1.616 121.562 119.950 -0.006 0.000 2.483 704 F HA 0.739 5.267 4.527 0.001 0.000 0.329 704 F C -0.378 175.456 175.800 0.057 0.000 1.064 704 F CA -0.962 56.984 58.000 -0.090 0.000 0.986 704 F CB 1.954 40.884 39.000 -0.117 0.000 1.218 704 F HN 0.360 nan 8.300 nan 0.000 0.484 705 L N 3.867 125.232 121.223 0.238 0.000 2.388 705 L HA 0.531 4.871 4.340 0.001 0.000 0.267 705 L C -0.661 176.419 176.870 0.350 0.000 0.995 705 L CA -0.575 54.430 54.840 0.275 0.000 0.864 705 L CB 1.125 43.294 42.059 0.183 0.000 1.216 705 L HN 0.546 nan 8.230 nan 0.000 0.430 706 R N 3.555 124.174 120.500 0.198 0.000 2.637 706 R HA 0.514 4.854 4.340 0.001 0.000 0.291 706 R C -2.646 173.358 176.300 -0.494 0.000 0.963 706 R CA -1.966 54.108 56.100 -0.044 0.000 0.901 706 R CB 2.246 32.484 30.300 -0.104 0.000 1.160 706 R HN 0.216 nan 8.270 nan 0.000 0.457 707 P HA -0.005 nan 4.420 nan 0.000 0.276 707 P C -1.322 175.795 177.300 -0.306 0.000 1.235 707 P CA 0.033 62.489 63.100 -1.073 0.000 0.772 707 P CB 0.431 31.840 31.700 -0.486 0.000 0.871 708 Y N 4.008 124.084 120.300 -0.373 0.000 2.488 708 Y HA 0.240 4.790 4.550 0.001 0.000 0.330 708 Y C 0.267 176.054 175.900 -0.189 0.000 1.013 708 Y CA -0.534 57.405 58.100 -0.268 0.000 1.304 708 Y CB 0.068 38.287 38.460 -0.402 0.000 1.098 708 Y HN 0.382 nan 8.280 nan 0.000 0.498 709 N N 3.714 122.207 118.700 -0.346 0.000 2.735 709 N HA -0.315 4.425 4.740 0.001 0.000 0.248 709 N C 0.475 175.951 175.510 -0.057 0.000 1.083 709 N CA 1.461 54.378 53.050 -0.221 0.000 0.703 709 N CB -1.645 36.619 38.487 -0.371 0.000 1.005 709 N HN 0.737 nan 8.380 nan 0.000 0.550 710 F N -0.067 119.749 119.950 -0.225 0.000 2.219 710 F HA 0.227 4.755 4.527 0.001 0.000 0.294 710 F C 0.810 176.369 175.800 -0.401 0.000 1.086 710 F CA 0.700 58.505 58.000 -0.326 0.000 1.330 710 F CB 0.183 38.857 39.000 -0.542 0.000 1.047 710 F HN 0.004 nan 8.300 nan 0.000 0.495 711 F N 0.359 120.363 119.950 0.090 0.000 2.410 711 F HA 0.250 4.777 4.527 0.001 0.000 0.324 711 F C 1.408 177.216 175.800 0.013 0.000 1.093 711 F CA -0.854 57.161 58.000 0.025 0.000 1.028 711 F CB 0.298 39.384 39.000 0.144 0.000 1.309 711 F HN -0.287 nan 8.300 nan 0.000 0.499 712 D N -0.357 120.181 120.400 0.231 0.000 2.305 712 D HA 0.027 4.668 4.640 0.001 0.000 0.206 712 D C -0.002 176.513 176.300 0.359 0.000 0.974 712 D CA 0.825 54.923 54.000 0.165 0.000 0.871 712 D CB 0.154 40.944 40.800 -0.018 0.000 0.947 712 D HN 0.698 nan 8.370 nan 0.000 0.516 713 E N -0.467 119.910 120.200 0.296 0.000 2.429 713 E HA 0.149 4.499 4.350 0.001 0.000 0.280 713 E C -1.399 175.292 176.600 0.151 0.000 1.068 713 E CA -0.888 55.632 56.400 0.200 0.000 0.837 713 E CB 0.813 30.585 29.700 0.121 0.000 1.357 713 E HN -0.302 nan 8.360 nan 0.000 0.455 714 D N 1.513 121.957 120.400 0.074 0.000 2.479 714 D HA 0.050 4.690 4.640 0.001 0.000 0.257 714 D C -1.675 174.658 176.300 0.055 0.000 1.230 714 D CA -1.497 52.520 54.000 0.027 0.000 0.912 714 D CB 0.953 41.770 40.800 0.028 0.000 1.130 714 D HN 0.163 nan 8.370 nan 0.000 0.515 715 P HA 0.019 nan 4.420 nan 0.000 0.255 715 P C 0.821 178.240 177.300 0.199 0.000 1.301 715 P CA 0.199 63.375 63.100 0.126 0.000 0.817 715 P CB 0.085 31.750 31.700 -0.059 0.000 1.259 716 S N -1.491 114.288 115.700 0.132 0.000 2.555 716 S HA -0.129 4.342 4.470 0.001 0.000 0.230 716 S C 1.659 176.316 174.600 0.095 0.000 0.978 716 S CA 0.040 58.316 58.200 0.127 0.000 0.934 716 S CB -1.329 61.937 63.200 0.111 0.000 0.766 716 S HN 0.051 nan 8.310 nan 0.000 0.533 717 F N 2.364 122.268 119.950 -0.076 0.000 2.126 717 F HA -0.032 4.496 4.527 0.001 0.000 0.299 717 F C 1.488 177.087 175.800 -0.335 0.000 1.096 717 F CA 1.021 58.865 58.000 -0.259 0.000 1.255 717 F CB -0.729 38.011 39.000 -0.433 0.000 0.997 717 F HN 0.225 nan 8.300 nan 0.000 0.479 718 Y N 0.306 120.509 120.300 -0.163 0.000 2.578 718 Y HA 0.098 4.649 4.550 0.001 0.000 0.297 718 Y C 1.651 177.454 175.900 -0.161 0.000 1.176 718 Y CA 0.584 58.540 58.100 -0.240 0.000 1.315 718 Y CB -1.125 37.290 38.460 -0.075 0.000 1.031 718 Y HN -0.021 nan 8.280 nan 0.000 0.524 719 S N 0.725 116.417 115.700 -0.013 0.000 2.563 719 S HA 0.121 4.592 4.470 0.001 0.000 0.294 719 S C 1.570 176.170 174.600 0.000 0.000 1.279 719 S CA 0.101 58.316 58.200 0.025 0.000 1.069 719 S CB 0.727 63.955 63.200 0.047 0.000 0.828 719 S HN 0.461 nan 8.310 nan 0.000 0.497 720 A N 3.963 126.796 122.820 0.022 0.000 2.178 720 A HA -0.011 4.309 4.320 0.001 0.000 0.218 720 A C 1.295 178.900 177.584 0.036 0.000 1.157 720 A CA 1.376 53.426 52.037 0.021 0.000 0.689 720 A CB -0.228 18.787 19.000 0.024 0.000 0.787 720 A HN 0.859 nan 8.150 nan 0.000 0.465 721 D N -0.429 120.001 120.400 0.050 0.000 2.395 721 D HA 0.087 4.727 4.640 0.001 0.000 0.213 721 D C 0.382 176.734 176.300 0.085 0.000 1.110 721 D CA 0.522 54.564 54.000 0.071 0.000 0.835 721 D CB 0.199 41.049 40.800 0.084 0.000 0.965 721 D HN 0.454 nan 8.370 nan 0.000 0.505 722 S N 0.143 115.882 115.700 0.065 0.000 2.549 722 S HA 0.475 4.946 4.470 0.001 0.000 0.279 722 S C 0.477 175.163 174.600 0.142 0.000 1.321 722 S CA -0.840 57.413 58.200 0.088 0.000 1.054 722 S CB 0.914 64.129 63.200 0.026 0.000 0.899 722 S HN 0.182 nan 8.310 nan 0.000 0.497 723 I N 2.622 123.322 120.570 0.217 0.000 2.392 723 I HA 0.844 5.014 4.170 0.001 0.000 0.295 723 I C -0.701 175.651 176.117 0.391 0.000 0.985 723 I CA -1.261 60.224 61.300 0.308 0.000 1.221 723 I CB 0.583 38.794 38.000 0.350 0.000 1.366 723 I HN 0.976 nan 8.210 nan 0.000 0.467 724 Y N 6.722 127.184 120.300 0.270 0.000 2.482 724 Y HA 0.763 5.313 4.550 0.001 0.000 0.334 724 Y C -1.354 174.736 175.900 0.317 0.000 1.091 724 Y CA -2.191 56.016 58.100 0.179 0.000 1.027 724 Y CB 2.094 40.612 38.460 0.097 0.000 1.306 724 Y HN 1.186 nan 8.280 nan 0.000 0.446 725 F N 2.811 122.272 119.950 -0.814 0.000 2.690 725 F HA 0.653 5.181 4.527 0.001 0.000 0.311 725 F C -1.562 173.922 175.800 -0.526 0.000 1.111 725 F CA -1.458 56.188 58.000 -0.590 0.000 1.003 725 F CB 1.045 39.939 39.000 -0.176 0.000 1.283 725 F HN 0.458 nan 8.300 nan 0.000 0.442 726 R N 0.727 121.163 120.500 -0.106 0.000 2.577 726 R HA 0.480 4.820 4.340 0.001 0.000 0.269 726 R C 1.235 177.643 176.300 0.181 0.000 1.084 726 R CA -0.122 56.007 56.100 0.048 0.000 1.163 726 R CB 1.049 31.419 30.300 0.118 0.000 1.100 726 R HN 1.076 nan 8.270 nan 0.000 0.547 727 G N 0.779 109.685 108.800 0.176 0.000 2.443 727 G HA2 -0.272 3.688 3.960 0.001 0.000 0.219 727 G HA3 -0.272 3.688 3.960 0.001 0.000 0.219 727 G C 0.779 175.768 174.900 0.149 0.000 1.131 727 G CA 1.088 46.300 45.100 0.187 0.000 0.775 727 G HN 0.812 nan 8.290 nan 0.000 0.547 728 D N -0.435 120.039 120.400 0.124 0.000 2.277 728 D HA 0.017 4.658 4.640 0.001 0.000 0.208 728 D C 1.470 177.812 176.300 0.071 0.000 0.962 728 D CA 0.230 54.282 54.000 0.085 0.000 0.865 728 D CB -0.114 40.727 40.800 0.069 0.000 0.939 728 D HN 0.370 nan 8.370 nan 0.000 0.510 729 Q N -0.080 119.772 119.800 0.088 0.000 2.414 729 Q HA 0.169 4.510 4.340 0.001 0.000 0.206 729 Q C -0.605 175.404 176.000 0.015 0.000 1.058 729 Q CA -0.370 55.470 55.803 0.062 0.000 1.025 729 Q CB 0.530 29.322 28.738 0.090 0.000 1.196 729 Q HN 0.083 nan 8.270 nan 0.000 0.586 730 D N -0.696 119.688 120.400 -0.027 0.000 2.412 730 D HA 0.274 4.915 4.640 0.001 0.000 0.224 730 D C -0.122 176.064 176.300 -0.189 0.000 1.093 730 D CA -0.180 53.770 54.000 -0.083 0.000 0.850 730 D CB 1.271 42.038 40.800 -0.055 0.000 1.046 730 D HN 0.574 nan 8.370 nan 0.000 0.507 731 A N 2.994 125.617 122.820 -0.328 0.000 2.015 731 A HA 0.058 4.378 4.320 0.001 0.000 0.219 731 A C 1.928 179.266 177.584 -0.411 0.000 1.163 731 A CA 1.340 52.983 52.037 -0.657 0.000 0.646 731 A CB -0.297 18.157 19.000 -0.909 0.000 0.806 731 A HN 0.589 nan 8.150 nan 0.000 0.448 732 G N -0.625 108.029 108.800 -0.244 0.000 2.572 732 G HA2 0.307 4.268 3.960 0.001 0.000 0.216 732 G HA3 0.307 4.268 3.960 0.001 0.000 0.216 732 G C 0.756 175.587 174.900 -0.115 0.000 1.133 732 G CA 0.543 45.548 45.100 -0.159 0.000 0.791 732 G HN 0.787 nan 8.290 nan 0.000 0.538 733 A N 0.138 122.892 122.820 -0.109 0.000 2.473 733 A HA 0.315 4.635 4.320 0.001 0.000 0.282 733 A C 1.702 179.254 177.584 -0.054 0.000 1.163 733 A CA 0.254 52.252 52.037 -0.065 0.000 0.827 733 A CB -0.437 18.535 19.000 -0.047 0.000 1.098 733 A HN 0.419 nan 8.150 nan 0.000 0.515 734 c N 2.641 121.217 118.600 -0.038 0.000 2.385 734 c HA -0.191 4.379 4.570 0.001 0.000 0.275 734 c C 2.802 176.889 174.090 -0.004 0.000 1.207 734 c CA 2.520 58.836 56.329 -0.022 0.000 1.760 734 c CB -1.268 41.233 42.510 -0.015 0.000 2.051 734 c HN 0.934 nan 8.230 nan 0.000 0.467 735 E N -0.918 119.282 120.200 0.001 0.000 2.204 735 E HA -0.103 4.247 4.350 0.001 0.000 0.195 735 E C 1.968 178.585 176.600 0.029 0.000 0.990 735 E CA 1.613 58.022 56.400 0.015 0.000 0.821 735 E CB -0.727 28.982 29.700 0.015 0.000 0.750 735 E HN 0.638 nan 8.360 nan 0.000 0.477 736 V N 0.997 120.921 119.914 0.018 0.000 2.302 736 V HA -0.001 4.119 4.120 0.001 0.000 0.243 736 V C 0.866 176.996 176.094 0.060 0.000 1.036 736 V CA 1.655 63.978 62.300 0.039 0.000 1.020 736 V CB 0.082 31.907 31.823 0.003 0.000 0.657 736 V HN 0.620 nan 8.190 nan 0.000 0.453 737 N N -0.589 118.115 118.700 0.006 0.000 2.576 737 N HA 0.297 5.037 4.740 0.001 0.000 0.269 737 N C -2.134 173.385 175.510 0.014 0.000 1.058 737 N CA -1.988 51.072 53.050 0.016 0.000 0.860 737 N CB 2.016 40.423 38.487 -0.132 0.000 1.249 737 N HN -0.090 nan 8.380 nan 0.000 0.525 738 P HA -0.148 nan 4.420 nan 0.000 0.217 738 P C 1.362 178.680 177.300 0.029 0.000 1.148 738 P CA 1.128 64.254 63.100 0.043 0.000 0.834 738 P CB 0.325 32.063 31.700 0.063 0.000 0.783 739 L N -1.459 119.784 121.223 0.033 0.000 2.187 739 L HA -0.198 4.142 4.340 0.001 0.000 0.213 739 L C 2.400 179.260 176.870 -0.016 0.000 1.100 739 L CA 1.368 56.218 54.840 0.016 0.000 0.765 739 L CB -1.063 41.008 42.059 0.020 0.000 0.904 739 L HN -0.012 nan 8.230 nan 0.000 0.437 740 A N -0.544 122.253 122.820 -0.039 0.000 1.972 740 A HA -0.200 4.121 4.320 0.001 0.000 0.219 740 A C 2.200 179.768 177.584 -0.027 0.000 1.169 740 A CA 1.719 53.726 52.037 -0.051 0.000 0.635 740 A CB -0.899 18.057 19.000 -0.074 0.000 0.810 740 A HN 0.622 nan 8.150 nan 0.000 0.446 741 c N -0.569 118.023 118.600 -0.012 0.000 2.576 741 c HA 0.284 4.855 4.570 0.001 0.000 0.267 741 c C 2.301 176.393 174.090 0.003 0.000 1.364 741 c CA 0.036 56.363 56.329 -0.003 0.000 1.723 741 c CB -1.987 40.525 42.510 0.004 0.000 1.778 741 c HN 0.710 nan 8.230 nan 0.000 0.572 742 L N 2.775 124.001 121.223 0.005 0.000 1.971 742 L HA -0.087 4.253 4.340 0.001 0.000 0.215 742 L C -0.624 176.250 176.870 0.006 0.000 1.072 742 L CA 2.246 57.093 54.840 0.011 0.000 0.758 742 L CB -1.577 40.490 42.059 0.014 0.000 0.889 742 L HN 0.103 nan 8.230 nan 0.000 0.433 743 P HA -0.153 nan 4.420 nan 0.000 0.219 743 P C 1.652 178.951 177.300 -0.000 0.000 1.146 743 P CA 2.068 65.166 63.100 -0.002 0.000 0.808 743 P CB -0.224 31.471 31.700 -0.008 0.000 0.779 744 Q N -0.013 119.787 119.800 -0.000 0.000 1.994 744 Q HA 0.003 4.343 4.340 0.001 0.000 0.198 744 Q C 2.393 178.396 176.000 0.006 0.000 0.976 744 Q CA 1.829 57.633 55.803 0.002 0.000 0.828 744 Q CB -1.856 26.883 28.738 0.001 0.000 0.894 744 Q HN 0.222 nan 8.270 nan 0.000 0.432 745 A N 0.849 123.675 122.820 0.010 0.000 1.940 745 A HA 0.120 4.441 4.320 0.001 0.000 0.221 745 A C 2.283 179.876 177.584 0.016 0.000 1.190 745 A CA 2.563 54.609 52.037 0.015 0.000 0.647 745 A CB -0.697 18.314 19.000 0.020 0.000 0.821 745 A HN 1.410 nan 8.150 nan 0.000 0.457 746 A N -1.513 121.316 122.820 0.015 0.000 2.610 746 A HA 0.643 4.963 4.320 0.001 0.000 0.286 746 A C 0.792 178.383 177.584 0.011 0.000 1.306 746 A CA 0.545 52.591 52.037 0.016 0.000 0.942 746 A CB -0.528 nan 19.000 nan 0.000 1.112 746 A HN 1.085 nan 8.150 nan 0.000 0.527 747 A N 0.655 123.479 122.820 0.008 0.000 3.078 747 A HA 0.524 4.845 4.320 0.001 0.000 0.279 747 A C 0.174 177.761 177.584 0.005 0.000 1.594 747 A CA 0.180 52.219 52.037 0.005 0.000 1.301 747 A CB -1.445 nan 19.000 nan 0.000 1.162 747 A HN 1.423 nan 8.150 nan 0.000 0.585 748 c N -0.841 117.763 118.600 0.007 0.000 3.241 748 c HA 0.819 5.390 4.570 0.001 0.000 0.348 748 c C 0.010 174.103 174.090 0.006 0.000 1.180 748 c CA -0.362 55.971 56.329 0.007 0.000 1.273 748 c CB 0.797 43.312 42.510 0.009 0.000 1.620 748 c HN 1.342 nan 8.230 nan 0.000 0.510 749 A N 3.193 126.015 122.820 0.004 0.000 2.366 749 A HA 0.789 5.110 4.320 0.001 0.000 0.272 749 A C -2.313 175.274 177.584 0.004 0.000 1.135 749 A CA -0.769 51.268 52.037 0.000 0.000 0.804 749 A CB -0.322 18.677 19.000 -0.003 0.000 1.064 749 A HN 0.826 nan 8.150 nan 0.000 0.499 750 P HA 0.389 nan 4.420 nan 0.000 0.275 750 P C -0.243 177.064 177.300 0.011 0.000 1.227 750 P CA 0.156 63.263 63.100 0.011 0.000 0.781 750 P CB 0.550 32.256 31.700 0.009 0.000 0.906 751 D N 1.437 121.852 120.400 0.025 0.000 2.517 751 D HA 0.444 5.085 4.640 0.001 0.000 0.220 751 D C 0.541 176.873 176.300 0.052 0.000 1.158 751 D CA -0.469 53.549 54.000 0.031 0.000 0.992 751 D CB -0.636 40.184 40.800 0.033 0.000 1.058 751 D HN 0.569 nan 8.370 nan 0.000 0.516 752 L N 1.335 122.581 121.223 0.038 0.000 2.456 752 L HA 0.622 4.963 4.340 0.001 0.000 0.277 752 L C -1.248 175.713 176.870 0.152 0.000 1.124 752 L CA -1.448 53.435 54.840 0.072 0.000 0.880 752 L CB -0.390 41.612 42.059 -0.095 0.000 1.192 752 L HN 0.444 nan 8.230 nan 0.000 0.463 753 P HA 0.344 nan 4.420 nan 0.000 0.266 753 P C 0.330 177.789 177.300 0.265 0.000 1.186 753 P CA 0.500 63.719 63.100 0.199 0.000 0.767 753 P CB 0.475 32.273 31.700 0.164 0.000 0.820 754 A N 2.801 125.721 122.820 0.168 0.000 2.477 754 A HA 0.174 4.494 4.320 0.001 0.000 0.246 754 A C -0.077 177.618 177.584 0.184 0.000 1.078 754 A CA -0.328 51.821 52.037 0.186 0.000 0.770 754 A CB -0.597 nan 19.000 nan 0.000 1.011 754 A HN 0.548 nan 8.150 nan 0.000 0.494 755 F N 3.682 123.717 119.950 0.143 0.000 2.571 755 F HA 0.332 4.859 4.527 0.000 0.000 0.384 755 F C 0.855 176.652 175.800 -0.004 0.000 1.058 755 F CA 1.052 59.082 58.000 0.049 0.000 1.200 755 F CB 0.354 39.418 39.000 0.106 0.000 1.077 755 F HN 0.547 nan 8.300 nan 0.000 0.558 756 S N 6.286 121.490 115.700 -0.826 0.000 2.621 756 S HA 0.422 4.893 4.470 0.001 0.000 0.302 756 S C -1.226 172.765 174.600 -1.014 0.000 1.093 756 S CA -0.641 57.168 58.200 -0.651 0.000 1.017 756 S CB 1.124 64.107 63.200 -0.362 0.000 1.077 756 S HN 0.863 nan 8.310 nan 0.000 0.517 757 H N 0.915 119.633 119.070 -0.587 0.000 2.690 757 H HA 0.417 4.974 4.556 0.001 0.000 0.368 757 H C 0.962 176.150 175.328 -0.233 0.000 1.150 757 H CA -0.275 55.533 56.048 -0.399 0.000 1.174 757 H CB 1.806 31.495 29.762 -0.122 0.000 1.684 757 H HN 0.857 nan 8.280 nan 0.000 0.538 758 G N 1.899 110.143 108.800 -0.926 0.000 2.848 758 G HA2 0.294 4.254 3.960 0.001 0.000 0.208 758 G HA3 0.294 4.254 3.960 0.001 0.000 0.208 758 G C 0.719 175.327 174.900 -0.487 0.000 1.152 758 G CA 0.514 45.269 45.100 -0.574 0.000 0.789 758 G HN 1.026 nan 8.290 nan 0.000 0.531 759 G N -0.969 107.483 108.800 -0.582 0.000 2.750 759 G HA2 -0.105 3.856 3.960 0.001 0.000 0.228 759 G HA3 -0.105 3.856 3.960 0.001 0.000 0.228 759 G C -0.237 174.480 174.900 -0.306 0.000 1.367 759 G CA -0.261 44.768 45.100 -0.119 0.000 0.871 759 G HN 0.356 nan 8.290 nan 0.000 0.560 760 F N -0.583 119.399 119.950 0.054 0.000 2.790 760 F HA 0.768 5.296 4.527 0.000 0.000 0.386 760 F C 1.100 176.923 175.800 0.037 0.000 1.206 760 F CA -0.307 57.730 58.000 0.062 0.000 1.109 760 F CB 1.076 40.129 39.000 0.088 0.000 1.469 760 F HN 0.602 nan 8.300 nan 0.000 0.513 761 S N 0.000 115.857 115.700 0.262 0.000 2.498 761 S HA 0.000 4.470 4.470 0.001 0.000 0.327 761 S CA 0.000 58.273 58.200 0.122 0.000 1.107 761 S CB 0.000 63.243 63.200 0.071 0.000 0.593 761 S HN 0.000 nan 8.310 nan 0.000 0.517