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 3iuu_1_A DATA FIRST_RESID 0 DATA SEQUENCE GXAQRSILVG QIWHEGHSFN PILTREKDFL FLRGEAVLEE ARASSTALSG DATA SEQUENCE IVKTAEALGY RCVPSISARA RPGGAIEQKV FDNIVDEFVQ AARXQDFDAI DATA SEQUENCE CLDLHGATLA EHTLDTEGYL LSRLREVVGN DIXISLALDL HAYLTPQXVE DATA SEQUENCE QATIITSFRT TPHADIEETG VRAXTLLDSL SNETRPPRAI YSLIPFLTRG DATA SEQUENCE NDETWSGPLA EIGAAADRWR ARSDVVDLSI FNVHPFLDVP GYGQVVLAYD DATA SEQUENCE NGSGAAIDAC RDLSDXLWKA RDEFQEQLXS VDKALEIART SRQLLALGDQ DATA SEQUENCE GDRVXGAGPG DSPEIARVAL EHFPGLKVAV PVYDPQAVRT AREAGENATV DATA SEQUENCE RXAVGGAFTH SVAPLERDWT VRKLCRARFT NIGPYXAGTE ADFGDAAVLT DATA SEQUENCE CDAVTVIVTT XAPNVHDPAF YEAVGVPLAS QQAVVARAAN HYKLSFADIA DATA SEQUENCE RTITVDTPGL TAFKPHQFPF TQARPFYPLD IVQWSFAPLE CNKV 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 0 G HA2 0.000 nan 3.960 nan 0.000 0.244 0 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 0 G C 0.000 174.896 174.900 -0.007 0.000 0.946 0 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 3 Q N 0.972 120.767 119.800 -0.009 0.000 2.304 3 Q HA 0.107 4.447 4.340 -0.000 0.000 0.301 3 Q C -0.074 175.934 176.000 0.014 0.000 1.063 3 Q CA 0.476 56.269 55.803 -0.017 0.000 0.947 3 Q CB 0.340 29.073 28.738 -0.007 0.000 1.201 3 Q HN 0.574 nan 8.270 nan 0.000 0.389 4 R N 1.825 122.326 120.500 0.002 0.000 2.490 4 R HA 0.191 4.531 4.340 -0.000 0.000 0.280 4 R C -0.257 176.179 176.300 0.228 0.000 1.077 4 R CA 0.074 56.242 56.100 0.113 0.000 1.065 4 R CB 0.857 31.239 30.300 0.136 0.000 1.003 4 R HN 0.703 nan 8.270 nan 0.000 0.470 5 S N 2.515 118.357 115.700 0.238 0.000 2.542 5 S HA 0.571 5.041 4.470 -0.000 0.000 0.293 5 S C -0.416 174.320 174.600 0.226 0.000 1.089 5 S CA -0.989 57.351 58.200 0.232 0.000 0.961 5 S CB 1.610 64.917 63.200 0.178 0.000 1.062 5 S HN 0.308 nan 8.310 nan 0.000 0.483 6 I N 2.688 123.339 120.570 0.135 0.000 2.406 6 I HA 0.400 4.570 4.170 -0.000 0.000 0.290 6 I C -0.563 175.539 176.117 -0.026 0.000 0.999 6 I CA -0.849 60.467 61.300 0.026 0.000 1.124 6 I CB 1.476 39.413 38.000 -0.105 0.000 1.289 6 I HN 0.716 nan 8.210 nan 0.000 0.441 7 L N 8.658 129.781 121.223 -0.168 0.000 2.331 7 L HA 0.496 4.836 4.340 -0.000 0.000 0.278 7 L C -0.152 176.605 176.870 -0.189 0.000 1.106 7 L CA 0.113 54.743 54.840 -0.349 0.000 0.824 7 L CB 1.023 42.498 42.059 -0.973 0.000 1.142 7 L HN 0.445 nan 8.230 nan 0.000 0.443 8 V N 2.473 122.321 119.914 -0.109 0.000 2.962 8 V HA 1.125 5.245 4.120 -0.000 0.000 0.313 8 V C -0.213 175.894 176.094 0.022 0.000 1.099 8 V CA 0.201 62.483 62.300 -0.031 0.000 0.971 8 V CB 1.272 33.085 31.823 -0.017 0.000 1.028 8 V HN 1.065 nan 8.190 nan 0.000 0.430 9 G N 1.716 110.582 108.800 0.111 0.000 2.430 9 G HA2 0.594 4.554 3.960 -0.000 0.000 0.300 9 G HA3 0.594 4.554 3.960 -0.000 0.000 0.300 9 G C -1.967 173.098 174.900 0.274 0.000 1.330 9 G CA -0.216 45.008 45.100 0.207 0.000 0.813 9 G HN 1.200 nan 8.290 nan 0.000 0.487 10 Q N -0.588 119.434 119.800 0.370 0.000 2.320 10 Q HA 0.642 4.982 4.340 -0.000 0.000 0.272 10 Q C -1.880 174.389 176.000 0.449 0.000 1.023 10 Q CA -0.729 55.275 55.803 0.334 0.000 0.855 10 Q CB 2.235 31.115 28.738 0.236 0.000 1.367 10 Q HN 0.577 nan 8.270 nan 0.000 0.406 11 I N 2.823 123.633 120.570 0.400 0.000 2.533 11 I HA 0.459 4.629 4.170 -0.000 0.000 0.290 11 I C -1.527 174.883 176.117 0.488 0.000 1.056 11 I CA -0.671 60.896 61.300 0.447 0.000 1.057 11 I CB 1.771 39.988 38.000 0.363 0.000 1.240 11 I HN 0.700 nan 8.210 nan 0.000 0.423 12 W N 7.528 129.009 121.300 0.302 0.000 2.587 12 W HA 0.513 5.173 4.660 -0.000 0.000 0.324 12 W C -1.232 175.413 176.519 0.210 0.000 1.008 12 W CA -0.130 57.363 57.345 0.247 0.000 1.265 12 W CB 0.691 30.267 29.460 0.194 0.000 1.328 12 W HN 0.497 nan 8.180 nan 0.000 0.432 13 H N 3.768 122.551 119.070 -0.478 0.000 3.140 13 H HA 0.194 4.750 4.556 -0.000 0.000 0.336 13 H C -1.865 172.969 175.328 -0.824 0.000 1.142 13 H CA -0.476 55.206 56.048 -0.611 0.000 1.308 13 H CB 2.147 31.792 29.762 -0.195 0.000 1.970 13 H HN 0.549 nan 8.280 nan 0.000 0.521 14 E N 3.141 122.407 120.200 -1.558 0.000 2.199 14 E HA 0.492 4.842 4.350 -0.000 0.000 0.265 14 E C -0.585 175.371 176.600 -1.074 0.000 0.882 14 E CA -0.870 54.761 56.400 -1.281 0.000 0.759 14 E CB 1.618 30.549 29.700 -1.282 0.000 1.148 14 E HN 0.727 nan 8.360 nan 0.000 0.412 15 G N 1.970 110.449 108.800 -0.534 0.000 2.502 15 G HA2 0.249 4.209 3.960 -0.000 0.000 0.305 15 G HA3 0.249 4.209 3.960 -0.000 0.000 0.305 15 G C -1.039 173.872 174.900 0.019 0.000 1.190 15 G CA -0.182 44.818 45.100 -0.167 0.000 0.933 15 G HN 0.550 nan 8.290 nan 0.000 0.503 16 H N -0.228 118.816 119.070 -0.044 0.000 3.018 16 H HA 0.286 4.842 4.556 -0.000 0.000 0.334 16 H C 0.517 175.733 175.328 -0.187 0.000 0.983 16 H CA -0.570 55.465 56.048 -0.021 0.000 1.363 16 H CB 1.977 31.722 29.762 -0.028 0.000 1.668 16 H HN 0.324 nan 8.280 nan 0.000 0.513 17 S N 3.513 119.078 115.700 -0.224 0.000 2.507 17 S HA -0.049 4.421 4.470 -0.000 0.000 0.235 17 S C 0.828 175.039 174.600 -0.648 0.000 0.988 17 S CA 0.691 58.550 58.200 -0.569 0.000 0.944 17 S CB -0.051 62.554 63.200 -0.991 0.000 0.762 17 S HN 0.440 nan 8.310 nan 0.000 0.526 18 F N 0.809 120.926 119.950 0.279 0.000 2.661 18 F HA 0.376 4.902 4.527 -0.000 0.000 0.306 18 F C 0.645 176.384 175.800 -0.102 0.000 1.094 18 F CA -0.980 57.085 58.000 0.109 0.000 1.254 18 F CB -0.083 39.057 39.000 0.234 0.000 1.040 18 F HN 0.008 nan 8.300 nan 0.000 0.562 19 N N 3.529 122.151 118.700 -0.129 0.000 2.420 19 N HA 0.150 4.890 4.740 -0.000 0.000 0.249 19 N C -1.733 173.718 175.510 -0.097 0.000 1.033 19 N CA -2.015 50.897 53.050 -0.230 0.000 0.944 19 N CB 1.309 39.590 38.487 -0.344 0.000 1.113 19 N HN -0.057 nan 8.380 nan 0.000 0.502 20 P HA 0.068 nan 4.420 nan 0.000 0.242 20 P C 0.016 177.303 177.300 -0.021 0.000 1.197 20 P CA 0.478 63.587 63.100 0.015 0.000 0.765 20 P CB 0.217 31.979 31.700 0.104 0.000 0.936 21 I N 1.149 121.645 120.570 -0.124 0.000 2.301 21 I HA 0.134 4.304 4.170 -0.000 0.000 0.292 21 I C 0.876 176.920 176.117 -0.123 0.000 1.046 21 I CA -0.886 60.309 61.300 -0.175 0.000 1.282 21 I CB 0.721 38.486 38.000 -0.392 0.000 1.409 21 I HN -0.235 nan 8.210 nan 0.000 0.484 22 L N 6.014 127.201 121.223 -0.060 0.000 2.485 22 L HA 0.102 4.441 4.340 -0.000 0.000 0.275 22 L C 0.666 177.516 176.870 -0.033 0.000 1.207 22 L CA 0.166 54.986 54.840 -0.033 0.000 0.855 22 L CB 0.246 42.303 42.059 -0.003 0.000 1.114 22 L HN 0.570 nan 8.230 nan 0.000 0.485 23 T N 4.100 118.642 114.554 -0.019 0.000 2.870 23 T HA 0.262 4.612 4.350 -0.000 0.000 0.300 23 T C 0.263 175.008 174.700 0.075 0.000 0.989 23 T CA -0.515 61.582 62.100 -0.005 0.000 1.139 23 T CB 0.484 69.327 68.868 -0.042 0.000 0.920 23 T HN 0.384 nan 8.240 nan 0.000 0.537 24 R N 1.800 122.363 120.500 0.105 0.000 2.856 24 R HA 0.327 4.667 4.340 -0.000 0.000 0.258 24 R C 1.465 177.934 176.300 0.281 0.000 1.066 24 R CA -0.919 55.275 56.100 0.156 0.000 1.045 24 R CB 0.629 30.991 30.300 0.105 0.000 1.178 24 R HN 0.797 nan 8.270 nan 0.000 0.499 25 E N 1.464 121.820 120.200 0.260 0.000 2.097 25 E HA -0.219 4.131 4.350 -0.000 0.000 0.196 25 E C 0.970 177.757 176.600 0.312 0.000 1.000 25 E CA 1.619 58.223 56.400 0.340 0.000 0.804 25 E CB 0.188 30.032 29.700 0.239 0.000 0.740 25 E HN 0.351 nan 8.360 nan 0.000 0.454 26 K N 0.204 120.721 120.400 0.196 0.000 2.160 26 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 26 K C 1.588 178.246 176.600 0.095 0.000 1.047 26 K CA 1.563 57.930 56.287 0.132 0.000 0.930 26 K CB -0.011 32.549 32.500 0.100 0.000 0.720 26 K HN 0.243 nan 8.250 nan 0.000 0.450 27 D N -0.448 120.004 120.400 0.087 0.000 2.347 27 D HA -0.044 4.596 4.640 -0.000 0.000 0.215 27 D C 0.072 176.268 176.300 -0.173 0.000 0.976 27 D CA 0.709 54.687 54.000 -0.036 0.000 0.884 27 D CB 0.080 40.824 40.800 -0.093 0.000 0.915 27 D HN 0.019 nan 8.370 nan 0.000 0.526 28 F N 0.586 120.439 119.950 -0.161 0.000 2.385 28 F HA 0.304 4.831 4.527 -0.000 0.000 0.336 28 F C 0.528 176.043 175.800 -0.475 0.000 1.100 28 F CA -0.756 56.999 58.000 -0.407 0.000 1.116 28 F CB 1.390 39.839 39.000 -0.918 0.000 1.166 28 F HN -0.268 nan 8.300 nan 0.000 0.511 29 L N 4.355 125.453 121.223 -0.208 0.000 2.272 29 L HA 0.472 4.812 4.340 -0.000 0.000 0.289 29 L C -1.409 175.325 176.870 -0.227 0.000 1.032 29 L CA -0.404 54.335 54.840 -0.169 0.000 0.810 29 L CB 0.186 42.215 42.059 -0.051 0.000 1.205 29 L HN 0.388 nan 8.230 nan 0.000 0.422 30 F N 5.287 125.318 119.950 0.136 0.000 2.443 30 F HA 0.590 5.117 4.527 -0.000 0.000 0.335 30 F C -0.149 175.672 175.800 0.034 0.000 1.104 30 F CA -0.573 57.474 58.000 0.078 0.000 1.013 30 F CB 1.450 40.466 39.000 0.027 0.000 1.136 30 F HN 0.210 nan 8.300 nan 0.000 0.470 31 L N 3.395 124.740 121.223 0.203 0.000 2.370 31 L HA 0.726 5.066 4.340 -0.000 0.000 0.266 31 L C -0.523 176.372 176.870 0.041 0.000 1.002 31 L CA -0.914 53.984 54.840 0.097 0.000 0.818 31 L CB 2.680 44.774 42.059 0.059 0.000 1.325 31 L HN 0.600 nan 8.230 nan 0.000 0.418 32 R N 0.086 120.589 120.500 0.004 0.000 2.867 32 R HA 0.773 5.113 4.340 -0.000 0.000 0.268 32 R C 0.051 176.331 176.300 -0.033 0.000 1.014 32 R CA -0.231 55.844 56.100 -0.042 0.000 0.946 32 R CB 1.843 32.108 30.300 -0.059 0.000 1.208 32 R HN 0.811 nan 8.270 nan 0.000 0.477 33 G N 1.276 110.047 108.800 -0.047 0.000 2.574 33 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.282 33 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.282 33 G C 0.756 175.645 174.900 -0.019 0.000 1.257 33 G CA 0.789 45.871 45.100 -0.031 0.000 0.956 33 G HN 0.722 nan 8.290 nan 0.000 0.560 34 E N 0.423 120.616 120.200 -0.010 0.000 2.171 34 E HA 0.036 4.386 4.350 -0.000 0.000 0.197 34 E C 2.822 179.420 176.600 -0.003 0.000 0.997 34 E CA 2.759 59.156 56.400 -0.004 0.000 0.810 34 E CB -0.807 28.892 29.700 -0.001 0.000 0.738 34 E HN 1.351 nan 8.360 nan 0.000 0.467 35 A N -0.023 122.795 122.820 -0.003 0.000 1.978 35 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 35 A C 2.444 180.030 177.584 0.003 0.000 1.170 35 A CA 1.608 53.646 52.037 0.001 0.000 0.636 35 A CB -0.706 18.297 19.000 0.005 0.000 0.810 35 A HN 0.216 nan 8.150 nan 0.000 0.448 36 V N 0.042 119.956 119.914 0.000 0.000 2.343 36 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 36 V C 2.523 178.620 176.094 0.005 0.000 1.051 36 V CA 2.062 64.364 62.300 0.004 0.000 1.036 36 V CB -0.722 31.095 31.823 -0.009 0.000 0.654 36 V HN 0.599 nan 8.190 nan 0.000 0.451 37 L N -0.705 120.519 121.223 0.001 0.000 2.095 37 L HA -0.107 4.233 4.340 -0.000 0.000 0.204 37 L C 2.507 179.379 176.870 0.003 0.000 1.080 37 L CA 1.332 56.174 54.840 0.004 0.000 0.759 37 L CB -0.672 41.390 42.059 0.005 0.000 0.914 37 L HN 0.296 nan 8.230 nan 0.000 0.439 38 E N 0.343 120.543 120.200 0.001 0.000 2.070 38 E HA -0.296 4.054 4.350 -0.000 0.000 0.197 38 E C 2.026 178.624 176.600 -0.005 0.000 1.004 38 E CA 1.682 58.081 56.400 -0.001 0.000 0.805 38 E CB -0.006 29.693 29.700 -0.002 0.000 0.744 38 E HN 0.322 nan 8.360 nan 0.000 0.451 39 E N 0.748 120.945 120.200 -0.005 0.000 2.058 39 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 39 E C 1.832 178.424 176.600 -0.013 0.000 0.997 39 E CA 1.585 57.978 56.400 -0.011 0.000 0.801 39 E CB -0.377 29.319 29.700 -0.007 0.000 0.746 39 E HN 0.244 nan 8.360 nan 0.000 0.450 40 A N 0.899 123.717 122.820 -0.005 0.000 1.892 40 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 40 A C 2.285 179.864 177.584 -0.008 0.000 1.188 40 A CA 2.038 54.073 52.037 -0.004 0.000 0.631 40 A CB -0.633 18.370 19.000 0.006 0.000 0.822 40 A HN 0.294 nan 8.150 nan 0.000 0.447 41 R N -0.710 119.787 120.500 -0.004 0.000 2.148 41 R HA 0.005 4.345 4.340 -0.000 0.000 0.227 41 R C 1.874 178.168 176.300 -0.010 0.000 1.103 41 R CA 0.992 57.090 56.100 -0.004 0.000 0.983 41 R CB -0.323 29.977 30.300 0.000 0.000 0.874 41 R HN 0.482 nan 8.270 nan 0.000 0.451 42 A N 0.598 123.409 122.820 -0.015 0.000 2.307 42 A HA 0.109 4.429 4.320 -0.000 0.000 0.218 42 A C 0.528 178.094 177.584 -0.030 0.000 1.228 42 A CA 0.007 52.032 52.037 -0.020 0.000 0.857 42 A CB 0.067 19.054 19.000 -0.020 0.000 0.897 42 A HN 0.304 nan 8.150 nan 0.000 0.495 43 S N -2.217 113.463 115.700 -0.034 0.000 2.851 43 S HA 0.650 5.120 4.470 -0.000 0.000 0.317 43 S C -0.017 174.554 174.600 -0.048 0.000 1.144 43 S CA -0.051 58.119 58.200 -0.050 0.000 0.862 43 S CB 1.426 64.589 63.200 -0.062 0.000 1.259 43 S HN 0.133 nan 8.310 nan 0.000 0.564 44 S N 0.844 116.505 115.700 -0.066 0.000 2.835 44 S HA 0.333 4.803 4.470 -0.000 0.000 0.248 44 S C 0.253 174.807 174.600 -0.076 0.000 1.070 44 S CA -0.250 57.913 58.200 -0.061 0.000 1.090 44 S CB -0.051 63.112 63.200 -0.061 0.000 0.978 44 S HN 1.004 nan 8.310 nan 0.000 0.510 45 T N -0.869 113.642 114.554 -0.072 0.000 2.814 45 T HA 0.721 5.071 4.350 -0.000 0.000 0.284 45 T C 1.639 176.332 174.700 -0.012 0.000 0.998 45 T CA -0.063 61.997 62.100 -0.066 0.000 0.935 45 T CB 0.765 69.588 68.868 -0.074 0.000 1.167 45 T HN 0.071 nan 8.240 nan 0.000 0.545 46 A N 0.089 122.935 122.820 0.044 0.000 1.902 46 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 46 A C 2.226 179.848 177.584 0.062 0.000 1.181 46 A CA 1.636 53.726 52.037 0.088 0.000 0.623 46 A CB -1.209 17.908 19.000 0.194 0.000 0.818 46 A HN 0.817 nan 8.150 nan 0.000 0.443 47 L N 0.417 121.677 121.223 0.062 0.000 2.043 47 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 47 L C 2.512 179.397 176.870 0.024 0.000 1.075 47 L CA 2.667 57.537 54.840 0.049 0.000 0.752 47 L CB -0.740 41.353 42.059 0.057 0.000 0.891 47 L HN 0.334 nan 8.230 nan 0.000 0.432 48 S N -0.190 115.516 115.700 0.010 0.000 2.370 48 S HA -0.149 4.321 4.470 -0.000 0.000 0.226 48 S C 1.955 176.558 174.600 0.005 0.000 1.033 48 S CA 1.151 59.351 58.200 0.000 0.000 1.011 48 S CB -1.242 61.949 63.200 -0.015 0.000 0.852 48 S HN 0.702 nan 8.310 nan 0.000 0.457 49 G N 1.666 110.471 108.800 0.008 0.000 2.440 49 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.218 49 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.218 49 G C 1.354 176.261 174.900 0.011 0.000 1.154 49 G CA 0.826 45.932 45.100 0.011 0.000 0.767 49 G HN 0.480 nan 8.290 nan 0.000 0.552 50 I N 0.185 120.763 120.570 0.013 0.000 2.113 50 I HA -0.161 4.009 4.170 -0.000 0.000 0.238 50 I C 2.828 178.942 176.117 -0.005 0.000 1.070 50 I CA 0.675 61.974 61.300 -0.001 0.000 1.332 50 I CB -0.397 37.605 38.000 0.002 0.000 1.044 50 I HN 0.031 nan 8.210 nan 0.000 0.402 51 V N 0.935 120.852 119.914 0.004 0.000 2.287 51 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 51 V C 2.405 178.510 176.094 0.018 0.000 1.053 51 V CA 1.953 64.258 62.300 0.010 0.000 1.027 51 V CB -0.775 31.054 31.823 0.011 0.000 0.646 51 V HN 0.390 nan 8.190 nan 0.000 0.447 52 K N -0.194 120.215 120.400 0.016 0.000 2.057 52 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 52 K C 2.216 178.834 176.600 0.030 0.000 1.049 52 K CA 1.897 58.196 56.287 0.020 0.000 0.931 52 K CB -0.493 32.014 32.500 0.013 0.000 0.714 52 K HN 0.488 nan 8.250 nan 0.000 0.440 53 T N 1.125 115.694 114.554 0.026 0.000 2.737 53 T HA -0.122 4.228 4.350 -0.000 0.000 0.265 53 T C 2.080 176.817 174.700 0.062 0.000 1.038 53 T CA 1.296 63.418 62.100 0.036 0.000 1.144 53 T CB -0.349 68.531 68.868 0.021 0.000 0.866 53 T HN 0.312 nan 8.240 nan 0.000 0.434 54 A N 1.862 124.706 122.820 0.038 0.000 1.892 54 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 54 A C 2.211 179.904 177.584 0.182 0.000 1.188 54 A CA 1.934 54.016 52.037 0.075 0.000 0.631 54 A CB -0.654 18.335 19.000 -0.018 0.000 0.822 54 A HN 0.607 nan 8.150 nan 0.000 0.447 55 E N -0.598 119.667 120.200 0.107 0.000 2.152 55 E HA 0.001 4.351 4.350 -0.000 0.000 0.192 55 E C 2.220 178.868 176.600 0.080 0.000 0.983 55 E CA 0.705 57.162 56.400 0.094 0.000 0.818 55 E CB -0.242 29.494 29.700 0.059 0.000 0.758 55 E HN 0.628 nan 8.360 nan 0.000 0.467 56 A N 0.964 123.827 122.820 0.071 0.000 2.015 56 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 56 A C 2.028 179.652 177.584 0.066 0.000 1.163 56 A CA 0.791 52.861 52.037 0.056 0.000 0.646 56 A CB -0.319 18.708 19.000 0.045 0.000 0.806 56 A HN 0.142 nan 8.150 nan 0.000 0.448 57 L N -1.656 119.636 121.223 0.115 0.000 2.554 57 L HA 0.168 4.508 4.340 -0.000 0.000 0.226 57 L C 1.752 178.638 176.870 0.028 0.000 1.137 57 L CA 0.643 55.556 54.840 0.122 0.000 0.863 57 L CB -0.008 42.219 42.059 0.280 0.000 0.985 57 L HN 0.586 nan 8.230 nan 0.000 0.451 58 G N -1.626 107.193 108.800 0.033 0.000 2.179 58 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.220 58 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.220 58 G C 0.044 174.900 174.900 -0.075 0.000 0.990 58 G CA -0.517 44.551 45.100 -0.053 0.000 0.646 58 G HN 0.199 nan 8.290 nan 0.000 0.517 59 Y N 0.692 121.003 120.300 0.018 0.000 2.326 59 Y HA 0.537 5.087 4.550 -0.000 0.000 0.333 59 Y C 1.240 177.154 175.900 0.024 0.000 1.240 59 Y CA -0.109 58.006 58.100 0.024 0.000 1.365 59 Y CB 0.534 39.010 38.460 0.027 0.000 1.289 59 Y HN 0.228 nan 8.280 nan 0.000 0.548 60 R N 1.544 122.161 120.500 0.195 0.000 2.357 60 R HA 0.461 4.801 4.340 -0.000 0.000 0.296 60 R C -1.473 174.905 176.300 0.130 0.000 1.052 60 R CA -0.393 55.785 56.100 0.129 0.000 0.988 60 R CB 0.357 30.714 30.300 0.095 0.000 1.025 60 R HN 0.753 nan 8.270 nan 0.000 0.469 61 C N 3.772 123.123 119.300 0.084 0.000 2.350 61 C HA 0.491 4.951 4.460 -0.000 0.000 0.348 61 C C -0.301 174.715 174.990 0.043 0.000 1.260 61 C CA -0.659 58.390 59.018 0.052 0.000 1.966 61 C CB 1.050 28.809 27.740 0.030 0.000 2.380 61 C HN 0.506 nan 8.230 nan 0.000 0.535 62 V N 6.350 126.282 119.914 0.029 0.000 2.487 62 V HA 0.478 4.598 4.120 -0.000 0.000 0.298 62 V C -2.060 174.019 176.094 -0.026 0.000 1.028 62 V CA -1.314 61.000 62.300 0.024 0.000 0.860 62 V CB 2.334 34.204 31.823 0.078 0.000 0.991 62 V HN 0.750 nan 8.190 nan 0.000 0.427 63 P HA 0.322 nan 4.420 nan 0.000 0.282 63 P C -0.070 177.174 177.300 -0.093 0.000 1.249 63 P CA -0.152 62.916 63.100 -0.053 0.000 0.806 63 P CB 1.842 33.518 31.700 -0.040 0.000 0.984 64 S N 3.491 119.107 115.700 -0.139 0.000 2.967 64 S HA 0.476 4.946 4.470 -0.000 0.000 0.167 64 S C 0.808 175.218 174.600 -0.317 0.000 0.696 64 S CA -0.080 57.974 58.200 -0.244 0.000 0.874 64 S CB -0.591 62.438 63.200 -0.286 0.000 0.718 64 S HN 0.617 nan 8.310 nan 0.000 0.634 65 I N -0.286 119.990 120.570 -0.491 0.000 3.195 65 I HA 0.780 4.950 4.170 -0.000 0.000 0.313 65 I C -1.445 174.580 176.117 -0.155 0.000 1.237 65 I CA -1.148 59.957 61.300 -0.325 0.000 0.963 65 I CB 2.203 39.971 38.000 -0.387 0.000 1.278 65 I HN 0.548 nan 8.210 nan 0.000 0.460 66 S N 1.805 117.517 115.700 0.021 0.000 2.513 66 S HA 0.936 5.406 4.470 -0.000 0.000 0.299 66 S C -0.664 174.100 174.600 0.274 0.000 1.087 66 S CA -0.457 57.839 58.200 0.160 0.000 1.012 66 S CB 1.789 65.067 63.200 0.130 0.000 1.044 66 S HN 1.329 nan 8.310 nan 0.000 0.485 67 A N 3.017 126.062 122.820 0.376 0.000 2.414 67 A HA 0.780 5.100 4.320 -0.000 0.000 0.286 67 A C -0.530 177.372 177.584 0.530 0.000 1.073 67 A CA -0.863 51.464 52.037 0.482 0.000 0.727 67 A CB 1.027 20.375 19.000 0.581 0.000 1.215 67 A HN 0.827 nan 8.150 nan 0.000 0.430 68 R N 1.165 121.911 120.500 0.411 0.000 2.513 68 R HA 0.753 5.093 4.340 -0.000 0.000 0.301 68 R C -0.696 175.638 176.300 0.057 0.000 0.968 68 R CA -0.329 55.987 56.100 0.359 0.000 0.872 68 R CB 2.378 32.828 30.300 0.251 0.000 1.177 68 R HN 0.926 nan 8.270 nan 0.000 0.444 69 A N 2.637 125.390 122.820 -0.113 0.000 2.486 69 A HA 0.515 4.835 4.320 -0.000 0.000 0.300 69 A C -0.688 176.804 177.584 -0.154 0.000 1.048 69 A CA -1.035 50.730 52.037 -0.455 0.000 0.696 69 A CB 1.266 19.415 19.000 -1.417 0.000 1.278 69 A HN 0.721 nan 8.150 nan 0.000 0.405 70 R N 1.356 121.817 120.500 -0.065 0.000 2.811 70 R HA 0.227 4.566 4.340 -0.000 0.000 0.265 70 R C -2.823 173.273 176.300 -0.340 0.000 1.026 70 R CA -1.017 55.041 56.100 -0.071 0.000 1.142 70 R CB -1.065 29.245 30.300 0.016 0.000 1.027 70 R HN 0.320 nan 8.270 nan 0.000 0.465 71 P HA 0.222 nan 4.420 nan 0.000 0.266 71 P C -0.212 176.865 177.300 -0.373 0.000 1.195 71 P CA 0.415 63.159 63.100 -0.593 0.000 0.768 71 P CB 0.685 32.098 31.700 -0.479 0.000 0.838 72 G N 0.696 109.287 108.800 -0.348 0.000 2.393 72 G HA2 0.496 4.456 3.960 -0.000 0.000 0.264 72 G HA3 0.496 4.456 3.960 -0.000 0.000 0.264 72 G C -0.347 174.513 174.900 -0.067 0.000 1.221 72 G CA -0.102 44.889 45.100 -0.182 0.000 0.912 72 G HN 0.631 nan 8.290 nan 0.000 0.483 73 G N -0.347 108.410 108.800 -0.072 0.000 2.716 73 G HA2 0.601 4.561 3.960 -0.000 0.000 0.251 73 G HA3 0.601 4.561 3.960 -0.000 0.000 0.251 73 G C 0.796 175.722 174.900 0.043 0.000 1.224 73 G CA 0.849 45.928 45.100 -0.034 0.000 0.891 73 G HN 1.701 nan 8.290 nan 0.000 0.561 74 A N -0.648 122.171 122.820 -0.001 0.000 2.531 74 A HA 0.340 4.660 4.320 -0.000 0.000 0.236 74 A C 0.606 178.155 177.584 -0.058 0.000 1.062 74 A CA -0.146 51.876 52.037 -0.025 0.000 0.760 74 A CB -0.118 18.837 19.000 -0.074 0.000 0.995 74 A HN 0.575 nan 8.150 nan 0.000 0.501 75 I N 1.755 122.241 120.570 -0.139 0.000 2.598 75 I HA -0.008 4.162 4.170 -0.000 0.000 0.284 75 I C 1.124 177.239 176.117 -0.003 0.000 1.140 75 I CA 0.162 61.416 61.300 -0.077 0.000 1.420 75 I CB 0.308 38.275 38.000 -0.056 0.000 1.387 75 I HN 0.780 nan 8.210 nan 0.000 0.553 76 E N 5.068 125.292 120.200 0.040 0.000 3.131 76 E HA -0.254 4.096 4.350 -0.000 0.000 0.258 76 E C 0.856 177.506 176.600 0.082 0.000 0.901 76 E CA 0.095 56.528 56.400 0.055 0.000 0.964 76 E CB 0.543 30.286 29.700 0.071 0.000 0.903 76 E HN 0.524 nan 8.360 nan 0.000 0.537 77 Q N 4.383 124.226 119.800 0.071 0.000 2.084 77 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 77 Q C 1.656 177.732 176.000 0.127 0.000 0.978 77 Q CA 2.026 57.896 55.803 0.112 0.000 0.844 77 Q CB -0.015 28.771 28.738 0.081 0.000 0.898 77 Q HN 0.448 nan 8.270 nan 0.000 0.426 78 K N -0.855 119.588 120.400 0.071 0.000 2.057 78 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 78 K C 1.783 178.401 176.600 0.029 0.000 1.049 78 K CA 1.421 57.732 56.287 0.040 0.000 0.931 78 K CB -0.500 32.013 32.500 0.022 0.000 0.714 78 K HN 0.158 nan 8.250 nan 0.000 0.440 79 V N 0.650 120.593 119.914 0.049 0.000 2.358 79 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 79 V C 2.064 178.159 176.094 0.002 0.000 1.047 79 V CA 1.899 64.208 62.300 0.015 0.000 1.035 79 V CB -0.648 31.211 31.823 0.060 0.000 0.658 79 V HN 0.318 nan 8.190 nan 0.000 0.452 80 F N 1.688 121.607 119.950 -0.051 0.000 2.102 80 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 80 F C 2.192 177.996 175.800 0.007 0.000 1.105 80 F CA 1.963 59.944 58.000 -0.032 0.000 1.239 80 F CB -0.487 38.503 39.000 -0.017 0.000 0.991 80 F HN 0.212 nan 8.300 nan 0.000 0.474 81 D N 0.340 120.688 120.400 -0.087 0.000 2.158 81 D HA -0.204 4.436 4.640 -0.000 0.000 0.197 81 D C 1.860 178.064 176.300 -0.161 0.000 0.995 81 D CA 1.338 55.257 54.000 -0.135 0.000 0.846 81 D CB -0.517 40.284 40.800 0.001 0.000 0.941 81 D HN 0.339 nan 8.370 nan 0.000 0.456 82 N N 0.431 119.044 118.700 -0.145 0.000 2.188 82 N HA -0.040 4.700 4.740 -0.000 0.000 0.184 82 N C 2.101 177.484 175.510 -0.212 0.000 1.018 82 N CA 0.265 53.214 53.050 -0.167 0.000 0.858 82 N CB -0.199 38.180 38.487 -0.179 0.000 0.989 82 N HN 0.292 nan 8.380 nan 0.000 0.426 83 I N 0.311 120.740 120.570 -0.236 0.000 2.127 83 I HA -0.239 3.931 4.170 -0.000 0.000 0.241 83 I C 2.042 178.152 176.117 -0.012 0.000 1.075 83 I CA 0.890 62.100 61.300 -0.151 0.000 1.334 83 I CB -0.339 37.614 38.000 -0.078 0.000 1.040 83 I HN -0.084 nan 8.210 nan 0.000 0.405 84 V N 0.893 120.695 119.914 -0.186 0.000 2.332 84 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 84 V C 2.086 178.176 176.094 -0.006 0.000 1.055 84 V CA 2.108 64.344 62.300 -0.106 0.000 1.038 84 V CB -0.724 30.933 31.823 -0.277 0.000 0.651 84 V HN 0.408 nan 8.190 nan 0.000 0.450 85 D N -0.148 120.213 120.400 -0.064 0.000 2.123 85 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 85 D C 2.239 178.509 176.300 -0.050 0.000 0.992 85 D CA 1.366 55.336 54.000 -0.051 0.000 0.833 85 D CB -0.229 40.531 40.800 -0.068 0.000 0.954 85 D HN 0.568 nan 8.370 nan 0.000 0.455 86 E N -0.556 119.588 120.200 -0.092 0.000 2.110 86 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 86 E C 2.085 178.591 176.600 -0.158 0.000 0.988 86 E CA 0.525 56.830 56.400 -0.158 0.000 0.804 86 E CB -0.205 29.336 29.700 -0.266 0.000 0.745 86 E HN 0.292 nan 8.360 nan 0.000 0.458 87 F N 0.564 120.452 119.950 -0.102 0.000 2.102 87 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 87 F C 2.404 178.160 175.800 -0.074 0.000 1.105 87 F CA 0.929 58.878 58.000 -0.086 0.000 1.239 87 F CB -0.553 38.395 39.000 -0.087 0.000 0.991 87 F HN -0.128 nan 8.300 nan 0.000 0.474 88 V N -0.439 119.543 119.914 0.114 0.000 2.343 88 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 88 V C 2.405 178.521 176.094 0.037 0.000 1.051 88 V CA 1.623 63.953 62.300 0.050 0.000 1.036 88 V CB -0.629 31.196 31.823 0.004 0.000 0.654 88 V HN 0.311 nan 8.190 nan 0.000 0.451 89 Q N -0.030 119.774 119.800 0.007 0.000 2.050 89 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 89 Q C 2.478 178.485 176.000 0.011 0.000 0.980 89 Q CA 2.051 57.852 55.803 -0.003 0.000 0.840 89 Q CB -0.811 27.907 28.738 -0.034 0.000 0.898 89 Q HN 0.645 nan 8.270 nan 0.000 0.424 90 A N 1.052 123.864 122.820 -0.012 0.000 1.940 90 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 90 A C 2.322 179.963 177.584 0.096 0.000 1.176 90 A CA 2.030 54.066 52.037 -0.002 0.000 0.631 90 A CB -0.687 18.262 19.000 -0.085 0.000 0.814 90 A HN 0.378 nan 8.150 nan 0.000 0.446 91 A N -0.362 122.526 122.820 0.113 0.000 1.972 91 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 91 A C 1.712 179.481 177.584 0.309 0.000 1.169 91 A CA 0.788 52.988 52.037 0.271 0.000 0.635 91 A CB -0.259 18.859 19.000 0.196 0.000 0.810 91 A HN 0.586 nan 8.150 nan 0.000 0.446 95 D N 1.697 122.163 120.400 0.109 0.000 2.256 95 D HA 0.729 5.369 4.640 -0.000 0.000 0.240 95 D C -0.431 175.926 176.300 0.096 0.000 1.062 95 D CA 0.097 54.066 54.000 -0.052 0.000 0.832 95 D CB 0.872 41.661 40.800 -0.018 0.000 1.135 95 D HN 0.361 nan 8.370 nan 0.000 0.484 96 F N -1.430 118.533 119.950 0.023 0.000 2.719 96 F HA 0.359 4.886 4.527 -0.000 0.000 0.309 96 F C -0.196 175.624 175.800 0.033 0.000 1.138 96 F CA -0.924 57.095 58.000 0.032 0.000 0.943 96 F CB 1.249 40.265 39.000 0.026 0.000 1.304 96 F HN -0.030 nan 8.300 nan 0.000 0.445 97 D N 0.731 121.275 120.400 0.240 0.000 2.407 97 D HA 0.485 5.125 4.640 -0.000 0.000 0.208 97 D C 0.209 176.619 176.300 0.184 0.000 1.083 97 D CA 0.724 54.812 54.000 0.146 0.000 0.844 97 D CB 1.481 42.364 40.800 0.139 0.000 0.967 97 D HN 0.739 nan 8.370 nan 0.000 0.506 98 A N 0.474 123.451 122.820 0.262 0.000 2.566 98 A HA 0.631 4.951 4.320 -0.000 0.000 0.290 98 A C -1.802 175.846 177.584 0.108 0.000 1.071 98 A CA -0.621 51.509 52.037 0.156 0.000 0.658 98 A CB 1.022 20.049 19.000 0.046 0.000 1.285 98 A HN 0.013 nan 8.150 nan 0.000 0.427 99 I N 0.031 120.608 120.570 0.012 0.000 2.498 99 I HA 0.536 4.706 4.170 -0.000 0.000 0.290 99 I C -0.945 175.129 176.117 -0.071 0.000 1.032 99 I CA -0.506 60.743 61.300 -0.085 0.000 1.073 99 I CB 1.950 39.893 38.000 -0.094 0.000 1.251 99 I HN 0.643 nan 8.210 nan 0.000 0.426 100 C N 7.933 127.187 119.300 -0.078 0.000 2.432 100 C HA 0.670 5.130 4.460 -0.000 0.000 0.334 100 C C -0.727 174.249 174.990 -0.022 0.000 1.155 100 C CA -0.347 58.638 59.018 -0.055 0.000 1.335 100 C CB 0.094 27.789 27.740 -0.076 0.000 1.964 100 C HN 0.681 nan 8.230 nan 0.000 0.444 101 L N 4.125 125.348 121.223 -0.001 0.000 2.341 101 L HA 0.554 4.894 4.340 -0.000 0.000 0.267 101 L C -0.836 176.070 176.870 0.059 0.000 1.009 101 L CA -0.420 54.443 54.840 0.038 0.000 0.819 101 L CB 1.950 44.017 42.059 0.014 0.000 1.323 101 L HN 0.558 nan 8.230 nan 0.000 0.425 102 D N 3.004 123.467 120.400 0.104 0.000 2.454 102 D HA 0.560 5.200 4.640 -0.000 0.000 0.225 102 D C -1.069 175.336 176.300 0.176 0.000 1.081 102 D CA -0.043 54.040 54.000 0.138 0.000 0.864 102 D CB 0.620 41.511 40.800 0.152 0.000 1.040 102 D HN 0.298 nan 8.370 nan 0.000 0.517 103 L N 2.809 124.119 121.223 0.145 0.000 2.323 103 L HA 0.349 4.689 4.340 -0.000 0.000 0.265 103 L C 1.519 178.500 176.870 0.185 0.000 1.012 103 L CA -1.114 53.828 54.840 0.169 0.000 0.820 103 L CB 2.054 44.161 42.059 0.079 0.000 1.334 103 L HN 0.451 nan 8.230 nan 0.000 0.427 104 H N 1.479 120.635 119.070 0.144 0.000 2.284 104 H HA -0.051 4.505 4.556 -0.000 0.000 0.304 104 H C 1.214 176.546 175.328 0.006 0.000 1.069 104 H CA 2.109 58.204 56.048 0.080 0.000 1.327 104 H CB 0.710 30.453 29.762 -0.032 0.000 1.387 104 H HN 0.846 nan 8.280 nan 0.000 0.498 105 G N -0.919 107.968 108.800 0.145 0.000 2.284 105 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.201 105 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.201 105 G C 0.736 175.740 174.900 0.174 0.000 0.998 105 G CA 0.266 45.402 45.100 0.059 0.000 0.651 105 G HN 0.811 nan 8.290 nan 0.000 0.489 106 A N 0.658 123.717 122.820 0.398 0.000 2.643 106 A HA 0.684 5.004 4.320 -0.000 0.000 0.295 106 A C 0.662 178.268 177.584 0.037 0.000 1.065 106 A CA 1.016 53.196 52.037 0.239 0.000 0.986 106 A CB 0.140 19.284 19.000 0.239 0.000 1.212 106 A HN 0.533 nan 8.150 nan 0.000 0.516 107 T N 0.816 115.420 114.554 0.084 0.000 2.930 107 T HA 0.402 4.752 4.350 -0.000 0.000 0.306 107 T C -0.558 174.169 174.700 0.046 0.000 1.045 107 T CA 0.757 62.937 62.100 0.132 0.000 1.134 107 T CB 0.736 69.715 68.868 0.185 0.000 0.961 107 T HN 0.380 nan 8.240 nan 0.000 0.545 108 L N 2.744 123.994 121.223 0.045 0.000 2.436 108 L HA 0.777 5.117 4.340 -0.000 0.000 0.268 108 L C -0.739 175.991 176.870 -0.234 0.000 0.974 108 L CA -0.461 54.316 54.840 -0.105 0.000 0.826 108 L CB 1.483 43.519 42.059 -0.039 0.000 1.291 108 L HN 0.753 nan 8.230 nan 0.000 0.406 109 A N 3.076 125.662 122.820 -0.389 0.000 2.350 109 A HA 0.499 4.819 4.320 -0.000 0.000 0.318 109 A C 0.724 178.183 177.584 -0.208 0.000 1.132 109 A CA -0.189 51.629 52.037 -0.365 0.000 0.811 109 A CB 1.061 19.656 19.000 -0.674 0.000 1.313 109 A HN 0.887 nan 8.150 nan 0.000 0.454 110 E N -0.808 119.328 120.200 -0.107 0.000 2.118 110 E HA -0.281 4.069 4.350 -0.000 0.000 0.195 110 E C 1.168 177.758 176.600 -0.017 0.000 0.992 110 E CA 2.153 58.524 56.400 -0.049 0.000 0.804 110 E CB -0.034 29.662 29.700 -0.006 0.000 0.741 110 E HN 0.868 nan 8.360 nan 0.000 0.458 111 H N -1.118 117.880 119.070 -0.119 0.000 2.594 111 H HA 0.214 4.770 4.556 -0.000 0.000 0.274 111 H C -0.179 175.057 175.328 -0.154 0.000 0.982 111 H CA 0.744 56.725 56.048 -0.112 0.000 1.228 111 H CB 0.506 30.219 29.762 -0.082 0.000 1.447 111 H HN -0.128 nan 8.280 nan 0.000 0.485 112 T N 2.791 117.147 114.554 -0.330 0.000 2.737 112 T HA 0.189 4.539 4.350 -0.000 0.000 0.296 112 T C 1.290 175.782 174.700 -0.348 0.000 0.922 112 T CA -0.201 61.645 62.100 -0.424 0.000 1.079 112 T CB 1.007 69.604 68.868 -0.451 0.000 0.892 112 T HN 0.275 nan 8.240 nan 0.000 0.514 113 L N 1.595 122.666 121.223 -0.254 0.000 2.253 113 L HA 0.188 4.528 4.340 -0.000 0.000 0.205 113 L C 1.132 178.006 176.870 0.005 0.000 1.078 113 L CA 0.575 55.332 54.840 -0.137 0.000 0.805 113 L CB 0.143 42.138 42.059 -0.107 0.000 0.963 113 L HN 0.514 nan 8.230 nan 0.000 0.459 114 D N 0.009 120.409 120.400 -0.001 0.000 2.493 114 D HA 0.062 4.702 4.640 -0.000 0.000 0.235 114 D C 1.223 177.526 176.300 0.006 0.000 1.117 114 D CA -0.034 53.971 54.000 0.009 0.000 0.930 114 D CB 0.920 41.681 40.800 -0.065 0.000 1.010 114 D HN 0.102 nan 8.370 nan 0.000 0.514 115 T N 0.528 115.074 114.554 -0.013 0.000 2.857 115 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 115 T C 1.406 176.241 174.700 0.224 0.000 1.048 115 T CA 0.877 63.019 62.100 0.070 0.000 1.139 115 T CB -0.025 68.755 68.868 -0.146 0.000 0.874 115 T HN 0.162 nan 8.240 nan 0.000 0.455 116 E N 1.575 121.832 120.200 0.094 0.000 2.072 116 E HA 0.159 4.509 4.350 -0.000 0.000 0.191 116 E C 2.506 179.112 176.600 0.010 0.000 0.985 116 E CA 1.060 57.485 56.400 0.041 0.000 0.801 116 E CB -1.028 28.667 29.700 -0.009 0.000 0.750 116 E HN 0.622 nan 8.360 nan 0.000 0.452 117 G N 0.196 108.990 108.800 -0.010 0.000 2.446 117 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.217 117 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.217 117 G C 1.521 176.447 174.900 0.043 0.000 1.168 117 G CA 1.102 46.189 45.100 -0.022 0.000 0.771 117 G HN 0.316 nan 8.290 nan 0.000 0.551 118 Y N 0.867 121.166 120.300 -0.001 0.000 2.181 118 Y HA -0.094 4.456 4.550 -0.000 0.000 0.288 118 Y C 2.483 178.395 175.900 0.021 0.000 1.146 118 Y CA 1.645 59.768 58.100 0.038 0.000 1.164 118 Y CB -0.399 38.135 38.460 0.122 0.000 0.982 118 Y HN 0.148 nan 8.280 nan 0.000 0.515 119 L N 0.157 121.386 121.223 0.010 0.000 2.017 119 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 119 L C 2.157 178.908 176.870 -0.198 0.000 1.073 119 L CA 1.796 56.542 54.840 -0.156 0.000 0.745 119 L CB -1.030 40.943 42.059 -0.144 0.000 0.894 119 L HN 0.356 nan 8.230 nan 0.000 0.432 120 L N -1.061 120.082 121.223 -0.133 0.000 2.012 120 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 120 L C 2.520 179.318 176.870 -0.119 0.000 1.073 120 L CA 1.551 56.324 54.840 -0.112 0.000 0.748 120 L CB -0.832 41.181 42.059 -0.078 0.000 0.891 120 L HN 0.254 nan 8.230 nan 0.000 0.431 121 S N -0.636 114.980 115.700 -0.141 0.000 2.359 121 S HA -0.151 4.319 4.470 -0.000 0.000 0.224 121 S C 2.075 176.567 174.600 -0.179 0.000 1.035 121 S CA 1.040 59.156 58.200 -0.141 0.000 1.018 121 S CB -0.226 62.895 63.200 -0.132 0.000 0.876 121 S HN 0.314 nan 8.310 nan 0.000 0.448 122 R N 0.983 121.301 120.500 -0.303 0.000 2.105 122 R HA 0.028 4.368 4.340 -0.000 0.000 0.239 122 R C 2.251 178.467 176.300 -0.140 0.000 1.135 122 R CA 0.899 56.836 56.100 -0.271 0.000 0.967 122 R CB -1.119 28.934 30.300 -0.412 0.000 0.861 122 R HN 0.424 nan 8.270 nan 0.000 0.442 123 L N 0.291 121.443 121.223 -0.119 0.000 2.046 123 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 123 L C 2.690 179.551 176.870 -0.015 0.000 1.077 123 L CA 1.301 56.115 54.840 -0.043 0.000 0.747 123 L CB -0.353 41.681 42.059 -0.042 0.000 0.896 123 L HN 0.111 nan 8.230 nan 0.000 0.432 124 R N -0.137 120.342 120.500 -0.036 0.000 2.115 124 R HA -0.139 4.201 4.340 -0.000 0.000 0.230 124 R C 2.032 178.321 176.300 -0.018 0.000 1.111 124 R CA 0.816 56.906 56.100 -0.017 0.000 0.976 124 R CB -0.268 30.017 30.300 -0.026 0.000 0.870 124 R HN 0.475 nan 8.270 nan 0.000 0.445 125 E N 0.289 120.467 120.200 -0.037 0.000 2.147 125 E HA -0.187 4.163 4.350 -0.000 0.000 0.199 125 E C 1.820 178.412 176.600 -0.013 0.000 1.005 125 E CA 1.574 57.956 56.400 -0.030 0.000 0.810 125 E CB 0.159 29.832 29.700 -0.045 0.000 0.736 125 E HN 0.117 nan 8.360 nan 0.000 0.460 126 V N 0.044 119.957 119.914 -0.002 0.000 2.825 126 V HA -0.108 4.012 4.120 -0.000 0.000 0.246 126 V C 2.095 178.206 176.094 0.029 0.000 1.068 126 V CA 1.234 63.544 62.300 0.016 0.000 1.088 126 V CB 0.766 32.611 31.823 0.037 0.000 0.733 126 V HN 0.262 nan 8.190 nan 0.000 0.468 127 V N -2.079 117.863 119.914 0.046 0.000 3.644 127 V HA 0.711 4.831 4.120 -0.000 0.000 0.267 127 V C 0.932 177.042 176.094 0.026 0.000 1.277 127 V CA 0.476 62.811 62.300 0.058 0.000 1.096 127 V CB -0.503 31.413 31.823 0.155 0.000 0.828 127 V HN 0.729 nan 8.190 nan 0.000 0.446 128 G N 1.477 110.285 108.800 0.014 0.000 2.728 128 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.294 128 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.294 128 G C -0.155 174.750 174.900 0.009 0.000 1.342 128 G CA 0.126 45.228 45.100 0.005 0.000 0.866 128 G HN 0.394 nan 8.290 nan 0.000 0.534 129 N N 0.095 118.798 118.700 0.005 0.000 2.187 129 N HA 0.119 4.859 4.740 -0.000 0.000 0.212 129 N C 0.561 176.077 175.510 0.010 0.000 1.152 129 N CA 0.286 53.339 53.050 0.006 0.000 0.872 129 N CB 0.668 39.155 38.487 0.000 0.000 1.025 129 N HN 0.472 nan 8.380 nan 0.000 0.514 130 D N 0.997 121.404 120.400 0.011 0.000 2.259 130 D HA 0.072 4.712 4.640 -0.000 0.000 0.216 130 D C 1.349 177.662 176.300 0.022 0.000 0.961 130 D CA 0.112 54.120 54.000 0.013 0.000 0.878 130 D CB 0.714 41.518 40.800 0.007 0.000 1.009 130 D HN 0.313 nan 8.370 nan 0.000 0.490 134 S N 6.888 122.561 115.700 -0.045 0.000 2.482 134 S HA 0.836 5.306 4.470 -0.000 0.000 0.303 134 S C -1.027 173.552 174.600 -0.035 0.000 1.091 134 S CA -0.471 57.697 58.200 -0.054 0.000 1.057 134 S CB 1.078 64.238 63.200 -0.067 0.000 1.031 134 S HN 0.487 nan 8.310 nan 0.000 0.485 135 L N 3.429 124.639 121.223 -0.022 0.000 2.346 135 L HA 0.774 5.114 4.340 -0.000 0.000 0.274 135 L C 0.043 176.926 176.870 0.023 0.000 1.007 135 L CA -1.050 53.791 54.840 0.002 0.000 0.818 135 L CB 1.851 43.914 42.059 0.007 0.000 1.284 135 L HN 0.756 nan 8.230 nan 0.000 0.424 136 A N 4.484 127.328 122.820 0.040 0.000 2.276 136 A HA 0.818 5.138 4.320 -0.000 0.000 0.316 136 A C -0.686 176.918 177.584 0.033 0.000 1.229 136 A CA -0.375 51.699 52.037 0.062 0.000 0.851 136 A CB 0.688 19.751 19.000 0.105 0.000 1.165 136 A HN 0.653 nan 8.150 nan 0.000 0.513 137 L N 1.503 122.704 121.223 -0.036 0.000 2.354 137 L HA 0.399 4.739 4.340 -0.000 0.000 0.264 137 L C -0.325 176.129 176.870 -0.693 0.000 1.008 137 L CA -1.053 53.684 54.840 -0.172 0.000 0.819 137 L CB 1.982 44.062 42.059 0.034 0.000 1.339 137 L HN 0.721 nan 8.230 nan 0.000 0.420 138 D N 1.366 121.191 120.400 -0.957 0.000 2.382 138 D HA 0.091 4.731 4.640 -0.000 0.000 0.245 138 D C 0.734 176.566 176.300 -0.780 0.000 1.120 138 D CA -0.360 52.720 54.000 -1.534 0.000 0.890 138 D CB 1.793 41.901 40.800 -1.152 0.000 1.201 138 D HN 0.445 nan 8.370 nan 0.000 0.433 139 L N 2.287 123.062 121.223 -0.746 0.000 2.465 139 L HA 0.054 4.394 4.340 -0.000 0.000 0.224 139 L C 1.411 178.190 176.870 -0.152 0.000 1.145 139 L CA 1.170 55.769 54.840 -0.402 0.000 0.834 139 L CB -1.012 40.820 42.059 -0.378 0.000 0.944 139 L HN 0.411 nan 8.230 nan 0.000 0.451 140 H N 0.657 119.728 119.070 0.001 0.000 2.547 140 H HA 0.481 5.037 4.556 -0.000 0.000 0.266 140 H C 1.336 176.743 175.328 0.132 0.000 0.988 140 H CA -0.033 56.086 56.048 0.118 0.000 1.147 140 H CB 0.034 29.931 29.762 0.225 0.000 1.365 140 H HN 0.531 nan 8.280 nan 0.000 0.589 141 A N 0.917 123.842 122.820 0.176 0.000 2.561 141 A HA -0.139 4.181 4.320 -0.000 0.000 0.234 141 A C -0.445 177.209 177.584 0.116 0.000 1.055 141 A CA 0.004 52.098 52.037 0.094 0.000 0.756 141 A CB -0.315 18.645 19.000 -0.067 0.000 0.986 141 A HN 0.481 nan 8.150 nan 0.000 0.505 142 Y N 4.362 124.650 120.300 -0.020 0.000 2.600 142 Y HA 0.362 4.912 4.550 -0.000 0.000 0.351 142 Y C -0.242 175.570 175.900 -0.147 0.000 1.042 142 Y CA -1.329 56.748 58.100 -0.038 0.000 1.333 142 Y CB 0.317 38.787 38.460 0.017 0.000 1.172 142 Y HN 0.492 nan 8.280 nan 0.000 0.517 143 L N 8.317 129.345 121.223 -0.326 0.000 2.260 143 L HA 0.385 4.725 4.340 -0.000 0.000 0.289 143 L C -0.201 176.482 176.870 -0.312 0.000 1.057 143 L CA 0.158 54.695 54.840 -0.504 0.000 0.811 143 L CB 0.374 41.889 42.059 -0.908 0.000 1.184 143 L HN 0.796 nan 8.230 nan 0.000 0.429 144 T N 2.498 116.813 114.554 -0.399 0.000 2.940 144 T HA 0.525 4.875 4.350 -0.000 0.000 0.288 144 T C -1.924 172.575 174.700 -0.335 0.000 1.033 144 T CA -1.732 60.143 62.100 -0.375 0.000 1.033 144 T CB 1.595 70.170 68.868 -0.488 0.000 1.079 144 T HN 0.355 nan 8.240 nan 0.000 0.496 145 P HA -0.094 nan 4.420 nan 0.000 0.216 145 P C 0.830 177.966 177.300 -0.273 0.000 1.150 145 P CA 0.883 63.687 63.100 -0.494 0.000 0.843 145 P CB 0.087 31.502 31.700 -0.475 0.000 0.787 149 E N 0.434 120.597 120.200 -0.062 0.000 2.072 149 E HA -0.177 4.173 4.350 -0.000 0.000 0.190 149 E C 1.918 178.503 176.600 -0.025 0.000 0.982 149 E CA 1.392 57.765 56.400 -0.046 0.000 0.803 149 E CB 0.181 29.838 29.700 -0.072 0.000 0.755 149 E HN 0.550 nan 8.360 nan 0.000 0.453 150 Q N -0.175 119.604 119.800 -0.034 0.000 2.354 150 Q HA 0.163 4.503 4.340 -0.000 0.000 0.203 150 Q C 0.286 176.277 176.000 -0.015 0.000 0.933 150 Q CA 0.572 56.358 55.803 -0.028 0.000 0.901 150 Q CB 0.572 29.283 28.738 -0.045 0.000 1.007 150 Q HN 0.166 nan 8.270 nan 0.000 0.495 151 A N 0.459 123.278 122.820 -0.001 0.000 2.304 151 A HA 0.366 4.685 4.320 -0.000 0.000 0.301 151 A C 1.006 178.608 177.584 0.030 0.000 1.132 151 A CA -0.304 51.738 52.037 0.008 0.000 0.819 151 A CB 0.702 19.710 19.000 0.014 0.000 1.094 151 A HN 0.120 nan 8.150 nan 0.000 0.492 152 T N 1.068 115.624 114.554 0.003 0.000 2.812 152 T HA 0.103 4.453 4.350 -0.000 0.000 0.264 152 T C 0.604 175.260 174.700 -0.073 0.000 1.042 152 T CA 1.832 63.928 62.100 -0.006 0.000 1.140 152 T CB -0.263 68.591 68.868 -0.024 0.000 0.870 152 T HN 0.587 nan 8.240 nan 0.000 0.445 153 I N -0.468 120.011 120.570 -0.151 0.000 2.842 153 I HA 0.466 4.636 4.170 -0.000 0.000 0.297 153 I C -2.147 173.843 176.117 -0.211 0.000 1.380 153 I CA -1.129 59.914 61.300 -0.429 0.000 1.018 153 I CB 2.113 39.798 38.000 -0.525 0.000 1.311 153 I HN -0.015 nan 8.210 nan 0.000 0.439 154 I N 4.882 125.352 120.570 -0.166 0.000 2.619 154 I HA 0.482 4.652 4.170 -0.000 0.000 0.292 154 I C -0.846 175.351 176.117 0.133 0.000 1.100 154 I CA -0.469 60.878 61.300 0.078 0.000 1.043 154 I CB 2.376 40.513 38.000 0.229 0.000 1.239 154 I HN 0.454 nan 8.210 nan 0.000 0.420 155 T N 3.571 118.186 114.554 0.101 0.000 2.933 155 T HA 0.602 4.952 4.350 -0.000 0.000 0.305 155 T C -0.716 174.013 174.700 0.049 0.000 1.092 155 T CA -0.436 61.713 62.100 0.082 0.000 1.008 155 T CB 1.414 70.305 68.868 0.038 0.000 1.102 155 T HN 0.744 nan 8.240 nan 0.000 0.469 156 S N 3.174 118.839 115.700 -0.057 0.000 2.689 156 S HA 0.837 5.307 4.470 -0.000 0.000 0.306 156 S C -0.313 174.269 174.600 -0.029 0.000 1.104 156 S CA -0.757 57.338 58.200 -0.175 0.000 0.973 156 S CB 0.514 63.384 63.200 -0.551 0.000 1.121 156 S HN 0.450 nan 8.310 nan 0.000 0.523 157 F N 0.967 120.810 119.950 -0.178 0.000 2.586 157 F HA 0.332 4.859 4.527 -0.000 0.000 0.344 157 F C 1.776 177.485 175.800 -0.151 0.000 1.188 157 F CA -0.536 57.369 58.000 -0.158 0.000 1.359 157 F CB -0.124 38.725 39.000 -0.252 0.000 1.129 157 F HN 0.692 nan 8.300 nan 0.000 0.609 158 R N -0.940 119.641 120.500 0.135 0.000 2.535 158 R HA 0.158 4.498 4.340 -0.000 0.000 0.323 158 R C -0.321 176.040 176.300 0.100 0.000 0.979 158 R CA 0.130 56.269 56.100 0.064 0.000 1.120 158 R CB 0.580 30.907 30.300 0.045 0.000 1.306 158 R HN 0.747 nan 8.270 nan 0.000 0.540 159 T N -2.117 112.537 114.554 0.166 0.000 2.893 159 T HA 0.529 4.879 4.350 -0.000 0.000 0.293 159 T C -0.366 174.532 174.700 0.331 0.000 1.027 159 T CA -0.646 61.567 62.100 0.188 0.000 0.988 159 T CB 2.664 71.614 68.868 0.136 0.000 1.043 159 T HN -0.199 nan 8.240 nan 0.000 0.461 160 T N 4.475 119.160 114.554 0.218 0.000 2.949 160 T HA 0.542 4.892 4.350 -0.000 0.000 0.300 160 T C -2.853 171.874 174.700 0.044 0.000 0.988 160 T CA -1.012 61.166 62.100 0.131 0.000 0.993 160 T CB 1.729 70.686 68.868 0.149 0.000 0.984 160 T HN 0.573 nan 8.240 nan 0.000 0.442 161 P HA 0.081 nan 4.420 nan 0.000 0.270 161 P C -0.579 176.710 177.300 -0.018 0.000 1.223 161 P CA -0.377 62.499 63.100 -0.373 0.000 0.785 161 P CB 0.418 31.794 31.700 -0.540 0.000 0.923 162 H N 0.978 120.204 119.070 0.259 0.000 3.089 162 H HA 0.286 4.841 4.556 -0.000 0.000 0.262 162 H C 0.989 176.350 175.328 0.054 0.000 1.160 162 H CA -0.173 55.972 56.048 0.162 0.000 1.482 162 H CB -0.311 29.579 29.762 0.214 0.000 1.511 162 H HN 0.457 nan 8.280 nan 0.000 0.483 163 A N 2.835 125.715 122.820 0.100 0.000 2.431 163 A HA 0.005 4.325 4.320 -0.000 0.000 0.239 163 A C 0.766 178.331 177.584 -0.032 0.000 1.230 163 A CA -0.077 51.984 52.037 0.041 0.000 0.928 163 A CB 0.322 19.345 19.000 0.038 0.000 1.006 163 A HN 0.562 nan 8.150 nan 0.000 0.520 164 D N -0.100 120.238 120.400 -0.103 0.000 2.772 164 D HA 0.190 4.830 4.640 -0.000 0.000 0.272 164 D C 0.814 176.955 176.300 -0.265 0.000 1.314 164 D CA -0.294 53.633 54.000 -0.120 0.000 0.835 164 D CB -0.498 40.277 40.800 -0.041 0.000 1.080 164 D HN 0.376 nan 8.370 nan 0.000 0.482 165 I N 0.389 120.717 120.570 -0.403 0.000 2.163 165 I HA -0.214 3.956 4.170 -0.000 0.000 0.240 165 I C 2.549 178.561 176.117 -0.174 0.000 1.081 165 I CA 1.138 62.105 61.300 -0.554 0.000 1.353 165 I CB -0.097 37.637 38.000 -0.444 0.000 1.054 165 I HN 0.106 nan 8.210 nan 0.000 0.407 166 E N 1.011 121.146 120.200 -0.107 0.000 2.077 166 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 166 E C 1.986 178.577 176.600 -0.015 0.000 0.989 166 E CA 1.425 57.800 56.400 -0.041 0.000 0.800 166 E CB 0.132 29.810 29.700 -0.037 0.000 0.746 166 E HN 0.372 nan 8.360 nan 0.000 0.452 167 E N -0.342 119.844 120.200 -0.023 0.000 2.153 167 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 167 E C 1.970 178.586 176.600 0.026 0.000 0.988 167 E CA 1.608 58.009 56.400 0.001 0.000 0.811 167 E CB -0.217 29.482 29.700 -0.002 0.000 0.746 167 E HN 0.204 nan 8.360 nan 0.000 0.466 168 T N -0.321 114.260 114.554 0.046 0.000 2.777 168 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 168 T C 1.926 176.683 174.700 0.094 0.000 1.040 168 T CA 1.224 63.391 62.100 0.112 0.000 1.141 168 T CB -0.645 68.389 68.868 0.276 0.000 0.868 168 T HN 0.409 nan 8.240 nan 0.000 0.444 169 G N 1.371 110.223 108.800 0.086 0.000 2.446 169 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 169 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 169 G C 1.701 176.619 174.900 0.029 0.000 1.168 169 G CA 1.058 46.193 45.100 0.058 0.000 0.771 169 G HN 0.431 nan 8.290 nan 0.000 0.551 170 V N 0.715 120.643 119.914 0.024 0.000 2.282 170 V HA -0.231 3.889 4.120 -0.000 0.000 0.249 170 V C 2.781 178.883 176.094 0.014 0.000 1.057 170 V CA 2.351 64.661 62.300 0.016 0.000 1.032 170 V CB -0.553 31.279 31.823 0.016 0.000 0.645 170 V HN 0.407 nan 8.190 nan 0.000 0.447 171 R N 0.168 120.681 120.500 0.021 0.000 2.096 171 R HA -0.024 4.316 4.340 -0.000 0.000 0.235 171 R C 1.414 177.716 176.300 0.003 0.000 1.127 171 R CA 0.984 57.094 56.100 0.017 0.000 0.968 171 R CB -0.359 29.957 30.300 0.027 0.000 0.861 171 R HN 0.542 nan 8.270 nan 0.000 0.440 175 L N 1.402 122.613 121.223 -0.020 0.000 2.017 175 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 175 L C 2.385 179.229 176.870 -0.042 0.000 1.073 175 L CA 1.278 56.097 54.840 -0.035 0.000 0.745 175 L CB -0.401 41.620 42.059 -0.063 0.000 0.894 175 L HN 0.214 nan 8.230 nan 0.000 0.432 176 L N 0.499 121.688 121.223 -0.057 0.000 1.989 176 L HA -0.287 4.053 4.340 -0.000 0.000 0.211 176 L C 2.065 178.918 176.870 -0.028 0.000 1.071 176 L CA 2.328 57.131 54.840 -0.061 0.000 0.749 176 L CB -0.699 41.302 42.059 -0.097 0.000 0.890 176 L HN 0.295 nan 8.230 nan 0.000 0.431 177 D N -1.263 119.126 120.400 -0.019 0.000 2.123 177 D HA -0.234 4.406 4.640 -0.000 0.000 0.196 177 D C 2.265 178.610 176.300 0.075 0.000 0.992 177 D CA 1.528 55.573 54.000 0.074 0.000 0.833 177 D CB -0.090 40.782 40.800 0.121 0.000 0.954 177 D HN 0.572 nan 8.370 nan 0.000 0.455 178 S N -0.540 115.184 115.700 0.040 0.000 2.419 178 S HA -0.112 4.358 4.470 -0.000 0.000 0.233 178 S C 1.955 176.574 174.600 0.030 0.000 1.016 178 S CA 0.609 58.830 58.200 0.035 0.000 0.974 178 S CB -0.540 62.673 63.200 0.023 0.000 0.786 178 S HN 0.397 nan 8.310 nan 0.000 0.492 179 L N 1.240 122.475 121.223 0.021 0.000 2.591 179 L HA 0.174 4.514 4.340 -0.000 0.000 0.228 179 L C 2.381 179.270 176.870 0.032 0.000 1.133 179 L CA 0.108 54.959 54.840 0.018 0.000 0.880 179 L CB -0.483 41.575 42.059 -0.003 0.000 1.033 179 L HN 0.278 nan 8.230 nan 0.000 0.450 180 S N 0.764 116.495 115.700 0.050 0.000 2.389 180 S HA -0.193 4.277 4.470 -0.000 0.000 0.231 180 S C 1.387 176.015 174.600 0.048 0.000 1.052 180 S CA 1.566 59.806 58.200 0.065 0.000 1.053 180 S CB -0.199 63.057 63.200 0.093 0.000 0.886 180 S HN 0.526 nan 8.310 nan 0.000 0.456 181 N N 0.980 119.703 118.700 0.039 0.000 2.251 181 N HA 0.125 4.865 4.740 -0.000 0.000 0.217 181 N C -0.591 174.935 175.510 0.027 0.000 1.124 181 N CA 0.169 53.237 53.050 0.030 0.000 0.843 181 N CB 0.369 38.872 38.487 0.027 0.000 1.024 181 N HN 0.349 nan 8.380 nan 0.000 0.501 182 E N 0.482 120.699 120.200 0.027 0.000 2.259 182 E HA 0.092 4.442 4.350 -0.000 0.000 0.281 182 E C 1.118 177.732 176.600 0.023 0.000 1.027 182 E CA -0.028 56.387 56.400 0.025 0.000 0.838 182 E CB 1.334 31.050 29.700 0.026 0.000 1.066 182 E HN 0.204 nan 8.360 nan 0.000 0.401 183 T N 0.459 115.026 114.554 0.022 0.000 3.118 183 T HA 0.115 4.465 4.350 -0.000 0.000 0.260 183 T C 0.781 175.493 174.700 0.019 0.000 1.139 183 T CA 0.416 62.528 62.100 0.019 0.000 1.085 183 T CB 0.476 69.354 68.868 0.017 0.000 0.934 183 T HN 0.200 nan 8.240 nan 0.000 0.518 184 R N 0.839 121.352 120.500 0.023 0.000 2.710 184 R HA 0.490 4.830 4.340 -0.000 0.000 0.270 184 R C -2.935 173.383 176.300 0.030 0.000 1.021 184 R CA -2.002 54.113 56.100 0.025 0.000 0.889 184 R CB 1.643 31.958 30.300 0.026 0.000 1.243 184 R HN 0.090 nan 8.270 nan 0.000 0.464 185 P HA 0.197 nan 4.420 nan 0.000 0.274 185 P C -2.615 174.722 177.300 0.062 0.000 1.237 185 P CA -1.238 61.887 63.100 0.040 0.000 0.793 185 P CB 0.070 31.795 31.700 0.042 0.000 0.977 186 P HA 0.177 nan 4.420 nan 0.000 0.274 186 P C -0.068 177.337 177.300 0.175 0.000 1.231 186 P CA -0.267 62.910 63.100 0.128 0.000 0.790 186 P CB 0.725 32.510 31.700 0.142 0.000 0.951 187 R N 1.640 122.223 120.500 0.137 0.000 2.491 187 R HA 0.489 4.829 4.340 -0.000 0.000 0.283 187 R C -0.735 175.614 176.300 0.082 0.000 1.072 187 R CA -0.312 55.843 56.100 0.092 0.000 1.048 187 R CB 0.085 30.416 30.300 0.051 0.000 0.983 187 R HN 0.567 nan 8.270 nan 0.000 0.450 188 A N 6.011 128.819 122.820 -0.020 0.000 2.342 188 A HA 0.515 4.835 4.320 -0.000 0.000 0.323 188 A C -0.840 176.644 177.584 -0.166 0.000 1.125 188 A CA -0.882 50.995 52.037 -0.266 0.000 0.785 188 A CB 1.113 19.910 19.000 -0.337 0.000 1.221 188 A HN 0.618 nan 8.150 nan 0.000 0.463 189 I N 2.763 123.220 120.570 -0.188 0.000 2.355 189 I HA 0.229 4.399 4.170 -0.000 0.000 0.288 189 I C -0.827 175.279 176.117 -0.018 0.000 0.999 189 I CA -0.351 60.911 61.300 -0.063 0.000 1.163 189 I CB 0.859 38.842 38.000 -0.029 0.000 1.316 189 I HN 0.748 nan 8.210 nan 0.000 0.454 190 Y N 5.982 126.219 120.300 -0.104 0.000 2.360 190 Y HA 0.598 5.148 4.550 -0.000 0.000 0.337 190 Y C -0.287 175.600 175.900 -0.022 0.000 1.039 190 Y CA -0.562 57.496 58.100 -0.070 0.000 1.109 190 Y CB 1.687 40.093 38.460 -0.090 0.000 1.201 190 Y HN 0.550 nan 8.280 nan 0.000 0.458 191 S N 7.167 122.648 115.700 -0.365 0.000 2.672 191 S HA 0.502 4.972 4.470 -0.000 0.000 0.291 191 S C -2.164 172.162 174.600 -0.457 0.000 1.145 191 S CA -0.724 57.345 58.200 -0.217 0.000 1.013 191 S CB 0.610 63.918 63.200 0.181 0.000 1.017 191 S HN 0.773 nan 8.310 nan 0.000 0.487 192 L N 6.096 127.098 121.223 -0.368 0.000 2.264 192 L HA 0.699 5.039 4.340 -0.000 0.000 0.289 192 L C -1.377 175.399 176.870 -0.156 0.000 1.044 192 L CA -0.201 54.468 54.840 -0.286 0.000 0.807 192 L CB 0.837 42.839 42.059 -0.095 0.000 1.192 192 L HN 0.649 nan 8.230 nan 0.000 0.425 193 I N 7.900 128.270 120.570 -0.333 0.000 2.354 193 I HA 0.366 4.536 4.170 -0.000 0.000 0.286 193 I C -1.937 173.973 176.117 -0.346 0.000 1.007 193 I CA -1.490 59.456 61.300 -0.589 0.000 1.167 193 I CB 1.424 39.096 38.000 -0.547 0.000 1.320 193 I HN 0.498 nan 8.210 nan 0.000 0.458 194 P HA 0.158 nan 4.420 nan 0.000 0.220 194 P C -0.974 176.529 177.300 0.339 0.000 1.806 194 P CA 0.018 63.159 63.100 0.068 0.000 0.976 194 P CB -0.689 31.106 31.700 0.158 0.000 1.952 195 F N -0.241 119.735 119.950 0.042 0.000 2.626 195 F HA 0.646 5.173 4.527 -0.000 0.000 0.311 195 F C -1.833 173.846 175.800 -0.201 0.000 1.088 195 F CA -1.737 56.317 58.000 0.090 0.000 0.949 195 F CB 1.097 40.220 39.000 0.206 0.000 1.322 195 F HN -0.251 nan 8.300 nan 0.000 0.461 196 L N 1.938 123.148 121.223 -0.022 0.000 2.331 196 L HA 0.605 4.945 4.340 -0.000 0.000 0.275 196 L C 0.080 176.889 176.870 -0.102 0.000 1.022 196 L CA -1.043 53.581 54.840 -0.359 0.000 0.812 196 L CB 2.453 44.227 42.059 -0.476 0.000 1.257 196 L HN 0.944 nan 8.230 nan 0.000 0.435 197 T N -0.897 113.448 114.554 -0.349 0.000 2.904 197 T HA 0.406 4.756 4.350 -0.000 0.000 0.290 197 T C 0.241 174.705 174.700 -0.393 0.000 1.018 197 T CA -0.691 61.214 62.100 -0.324 0.000 1.075 197 T CB 1.081 69.617 68.868 -0.554 0.000 0.986 197 T HN 0.594 nan 8.240 nan 0.000 0.523 198 R N 1.207 121.535 120.500 -0.287 0.000 2.772 198 R HA 0.541 4.881 4.340 -0.000 0.000 0.358 198 R C 0.814 176.906 176.300 -0.347 0.000 1.143 198 R CA -0.256 55.611 56.100 -0.388 0.000 1.153 198 R CB 0.621 30.930 30.300 0.015 0.000 1.329 198 R HN 1.206 nan 8.270 nan 0.000 0.615 199 G N 1.295 109.730 108.800 -0.609 0.000 2.526 199 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.250 199 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.250 199 G C -0.332 174.631 174.900 0.104 0.000 1.289 199 G CA -0.410 44.666 45.100 -0.039 0.000 0.947 199 G HN 0.381 nan 8.290 nan 0.000 0.517 200 N N -0.080 118.696 118.700 0.127 0.000 2.708 200 N HA -0.178 4.562 4.740 -0.000 0.000 0.251 200 N C 0.709 176.290 175.510 0.119 0.000 1.017 200 N CA 2.144 55.232 53.050 0.063 0.000 0.742 200 N CB -0.654 37.809 38.487 -0.040 0.000 0.943 200 N HN 1.135 nan 8.380 nan 0.000 0.539 201 D N -1.697 118.818 120.400 0.191 0.000 2.501 201 D HA 0.087 4.727 4.640 -0.000 0.000 0.224 201 D C -0.061 176.354 176.300 0.193 0.000 1.202 201 D CA -0.155 54.005 54.000 0.267 0.000 0.829 201 D CB -0.245 40.673 40.800 0.198 0.000 1.023 201 D HN 0.486 nan 8.370 nan 0.000 0.499 202 E N 0.118 120.404 120.200 0.145 0.000 2.349 202 E HA 0.202 4.552 4.350 -0.000 0.000 0.265 202 E C 0.830 177.496 176.600 0.110 0.000 1.064 202 E CA 0.002 56.493 56.400 0.151 0.000 0.886 202 E CB 1.132 30.967 29.700 0.225 0.000 1.036 202 E HN 0.175 nan 8.360 nan 0.000 0.413 203 T N -1.553 113.091 114.554 0.150 0.000 3.081 203 T HA -0.045 4.305 4.350 -0.000 0.000 0.250 203 T C 1.348 176.118 174.700 0.118 0.000 1.100 203 T CA -0.224 61.945 62.100 0.114 0.000 1.038 203 T CB -0.101 68.844 68.868 0.128 0.000 0.962 203 T HN 0.742 nan 8.240 nan 0.000 0.516 204 W N 3.236 124.545 121.300 0.014 0.000 2.523 204 W HA 0.327 4.987 4.660 -0.000 0.000 0.278 204 W C 0.066 176.583 176.519 -0.002 0.000 1.236 204 W CA 0.338 57.686 57.345 0.005 0.000 1.306 204 W CB -0.551 28.907 29.460 -0.002 0.000 1.101 204 W HN 0.387 nan 8.180 nan 0.000 0.577 205 S N -0.033 115.042 115.700 -1.041 0.000 2.607 205 S HA 0.753 5.223 4.470 -0.000 0.000 0.273 205 S C -0.171 174.108 174.600 -0.534 0.000 1.148 205 S CA 0.090 57.750 58.200 -0.900 0.000 0.833 205 S CB 1.860 64.201 63.200 -1.431 0.000 1.130 205 S HN 1.082 nan 8.310 nan 0.000 0.470 206 G N 1.417 109.984 108.800 -0.388 0.000 2.549 206 G HA2 0.019 3.979 3.960 -0.000 0.000 0.404 206 G HA3 0.019 3.979 3.960 -0.000 0.000 0.404 206 G C -2.527 172.212 174.900 -0.268 0.000 1.292 206 G CA -0.143 44.777 45.100 -0.301 0.000 0.935 206 G HN 0.710 nan 8.290 nan 0.000 0.512 207 P HA 0.081 nan 4.420 nan 0.000 0.221 207 P C 2.136 179.353 177.300 -0.138 0.000 1.150 207 P CA 0.901 63.809 63.100 -0.320 0.000 0.800 207 P CB 0.030 31.347 31.700 -0.638 0.000 0.787 208 L N -0.950 120.237 121.223 -0.061 0.000 2.362 208 L HA -0.053 4.287 4.340 -0.000 0.000 0.219 208 L C 2.524 179.401 176.870 0.012 0.000 1.134 208 L CA 0.904 55.779 54.840 0.059 0.000 0.807 208 L CB -0.925 41.217 42.059 0.139 0.000 0.927 208 L HN -0.056 nan 8.230 nan 0.000 0.447 209 A N -0.126 122.665 122.820 -0.049 0.000 1.877 209 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 209 A C 2.262 179.833 177.584 -0.023 0.000 1.186 209 A CA 1.328 53.340 52.037 -0.041 0.000 0.620 209 A CB -0.279 18.659 19.000 -0.103 0.000 0.822 209 A HN 0.295 nan 8.150 nan 0.000 0.443 210 E N -0.062 120.114 120.200 -0.039 0.000 2.051 210 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 210 E C 2.011 178.621 176.600 0.016 0.000 0.991 210 E CA 1.268 57.656 56.400 -0.019 0.000 0.799 210 E CB -0.378 29.301 29.700 -0.035 0.000 0.748 210 E HN 0.728 nan 8.360 nan 0.000 0.449 211 I N 0.469 121.058 120.570 0.032 0.000 2.252 211 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 211 I C 2.502 178.662 176.117 0.071 0.000 1.102 211 I CA 1.175 62.516 61.300 0.068 0.000 1.385 211 I CB -0.485 37.572 38.000 0.095 0.000 1.064 211 I HN 0.098 nan 8.210 nan 0.000 0.414 212 G N 0.491 109.324 108.800 0.055 0.000 2.432 212 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 212 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 212 G C 1.856 176.787 174.900 0.052 0.000 1.135 212 G CA 0.815 45.947 45.100 0.053 0.000 0.767 212 G HN 0.482 nan 8.290 nan 0.000 0.550 213 A N 1.246 124.089 122.820 0.038 0.000 1.873 213 A HA 0.298 4.618 4.320 -0.000 0.000 0.215 213 A C 2.836 180.436 177.584 0.026 0.000 1.186 213 A CA 2.173 54.224 52.037 0.024 0.000 0.616 213 A CB -0.847 18.156 19.000 0.005 0.000 0.823 213 A HN 0.756 nan 8.150 nan 0.000 0.442 214 A N -0.001 122.849 122.820 0.050 0.000 1.908 214 A HA 0.100 4.420 4.320 -0.000 0.000 0.218 214 A C 2.524 180.221 177.584 0.188 0.000 1.181 214 A CA 2.310 54.395 52.037 0.081 0.000 0.627 214 A CB -1.112 17.983 19.000 0.157 0.000 0.818 214 A HN 1.113 nan 8.150 nan 0.000 0.445 215 A N -0.008 122.932 122.820 0.199 0.000 1.908 215 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 215 A C 1.792 179.479 177.584 0.172 0.000 1.181 215 A CA 1.999 54.167 52.037 0.219 0.000 0.627 215 A CB -0.648 18.424 19.000 0.119 0.000 0.818 215 A HN 0.486 nan 8.150 nan 0.000 0.445 216 D N -0.914 119.542 120.400 0.095 0.000 2.117 216 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 216 D C 2.087 178.411 176.300 0.040 0.000 0.987 216 D CA 1.372 55.409 54.000 0.062 0.000 0.829 216 D CB -0.334 40.488 40.800 0.036 0.000 0.961 216 D HN 0.532 nan 8.370 nan 0.000 0.460 217 R N -0.475 120.016 120.500 -0.016 0.000 2.096 217 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 217 R C 2.271 178.501 176.300 -0.117 0.000 1.127 217 R CA 1.157 57.187 56.100 -0.116 0.000 0.968 217 R CB -0.294 29.859 30.300 -0.245 0.000 0.861 217 R HN 0.216 nan 8.270 nan 0.000 0.440 218 W N 0.590 121.896 121.300 0.010 0.000 2.335 218 W HA -0.118 4.542 4.660 -0.000 0.000 0.311 218 W C 2.348 178.880 176.519 0.022 0.000 1.213 218 W CA 0.954 58.308 57.345 0.014 0.000 1.274 218 W CB -0.085 29.382 29.460 0.012 0.000 1.148 218 W HN 0.052 nan 8.180 nan 0.000 0.498 219 R N -0.053 120.591 120.500 0.241 0.000 2.237 219 R HA -0.028 4.312 4.340 -0.000 0.000 0.219 219 R C 2.069 178.431 176.300 0.104 0.000 1.080 219 R CA 0.977 57.171 56.100 0.157 0.000 0.995 219 R CB -0.496 29.877 30.300 0.121 0.000 0.875 219 R HN 0.132 nan 8.270 nan 0.000 0.462 220 A N 1.137 124.002 122.820 0.073 0.000 2.167 220 A HA -0.001 4.319 4.320 -0.000 0.000 0.214 220 A C 0.626 178.235 177.584 0.042 0.000 1.151 220 A CA 0.142 52.203 52.037 0.040 0.000 0.735 220 A CB 0.001 19.006 19.000 0.007 0.000 0.802 220 A HN 0.139 nan 8.150 nan 0.000 0.467 221 R N 0.552 121.092 120.500 0.067 0.000 2.594 221 R HA 0.187 4.527 4.340 -0.000 0.000 0.272 221 R C 1.426 177.773 176.300 0.077 0.000 1.074 221 R CA 0.458 56.600 56.100 0.071 0.000 1.105 221 R CB 0.504 30.875 30.300 0.119 0.000 1.008 221 R HN 0.450 nan 8.270 nan 0.000 0.472 222 S N 0.334 116.070 115.700 0.061 0.000 2.507 222 S HA -0.123 4.347 4.470 -0.000 0.000 0.235 222 S C 0.795 175.436 174.600 0.069 0.000 0.988 222 S CA 1.092 59.326 58.200 0.057 0.000 0.944 222 S CB -0.107 63.119 63.200 0.044 0.000 0.762 222 S HN 0.764 nan 8.310 nan 0.000 0.526 223 D N 0.758 121.210 120.400 0.086 0.000 2.463 223 D HA 0.250 4.890 4.640 -0.000 0.000 0.224 223 D C -0.297 176.069 176.300 0.111 0.000 1.174 223 D CA -0.455 53.600 54.000 0.092 0.000 0.829 223 D CB 0.047 40.902 40.800 0.091 0.000 0.993 223 D HN 0.283 nan 8.370 nan 0.000 0.497 224 V N 0.748 120.735 119.914 0.121 0.000 2.483 224 V HA 0.155 4.275 4.120 -0.000 0.000 0.297 224 V C 1.156 177.320 176.094 0.117 0.000 1.027 224 V CA -0.828 61.551 62.300 0.131 0.000 0.855 224 V CB 1.978 33.904 31.823 0.172 0.000 0.995 224 V HN -0.089 nan 8.190 nan 0.000 0.424 225 V N 2.744 122.733 119.914 0.124 0.000 2.346 225 V HA 0.065 4.184 4.120 -0.000 0.000 0.244 225 V C 0.549 176.705 176.094 0.103 0.000 1.037 225 V CA 1.841 64.203 62.300 0.103 0.000 1.029 225 V CB -0.022 31.861 31.823 0.100 0.000 0.663 225 V HN 1.044 nan 8.190 nan 0.000 0.454 226 D N -2.320 118.176 120.400 0.160 0.000 2.725 226 D HA 0.525 5.165 4.640 -0.000 0.000 0.292 226 D C -1.747 174.683 176.300 0.216 0.000 1.288 226 D CA -0.351 53.743 54.000 0.156 0.000 0.784 226 D CB 1.652 42.515 40.800 0.105 0.000 1.308 226 D HN 0.134 nan 8.370 nan 0.000 0.429 227 L N -1.535 119.786 121.223 0.162 0.000 2.653 227 L HA 0.931 5.271 4.340 -0.000 0.000 0.257 227 L C -1.575 175.332 176.870 0.061 0.000 0.969 227 L CA -0.343 54.575 54.840 0.130 0.000 0.869 227 L CB 1.985 44.084 42.059 0.066 0.000 1.439 227 L HN 0.233 nan 8.230 nan 0.000 0.414 228 S N 1.617 117.325 115.700 0.013 0.000 2.588 228 S HA 0.844 5.314 4.470 -0.000 0.000 0.275 228 S C -0.955 173.498 174.600 -0.246 0.000 1.130 228 S CA -0.526 57.566 58.200 -0.181 0.000 0.855 228 S CB 1.751 64.766 63.200 -0.308 0.000 1.116 228 S HN 0.642 nan 8.310 nan 0.000 0.472 229 I N 2.125 122.446 120.570 -0.416 0.000 2.447 229 I HA 0.420 4.590 4.170 -0.000 0.000 0.287 229 I C -1.591 174.217 176.117 -0.514 0.000 1.023 229 I CA -0.428 60.693 61.300 -0.298 0.000 1.083 229 I CB 1.267 39.176 38.000 -0.151 0.000 1.245 229 I HN 0.479 nan 8.210 nan 0.000 0.434 230 F N 4.018 123.888 119.950 -0.132 0.000 2.388 230 F HA 0.344 4.871 4.527 -0.000 0.000 0.358 230 F C 0.375 176.054 175.800 -0.201 0.000 1.122 230 F CA -0.605 57.304 58.000 -0.152 0.000 1.056 230 F CB 0.796 39.721 39.000 -0.125 0.000 1.155 230 F HN 0.381 nan 8.300 nan 0.000 0.461 231 N N 2.686 121.340 118.700 -0.077 0.000 2.868 231 N HA 0.183 4.923 4.740 -0.000 0.000 0.252 231 N C -0.432 175.053 175.510 -0.041 0.000 1.130 231 N CA -0.354 52.601 53.050 -0.159 0.000 1.026 231 N CB 0.968 39.360 38.487 -0.158 0.000 1.335 231 N HN 0.390 nan 8.380 nan 0.000 0.516 232 V N 2.337 122.176 119.914 -0.124 0.000 2.843 232 V HA -0.179 3.941 4.120 -0.000 0.000 0.305 232 V C 0.542 176.621 176.094 -0.026 0.000 1.120 232 V CA 0.243 62.519 62.300 -0.041 0.000 1.254 232 V CB -0.070 31.636 31.823 -0.196 0.000 0.901 232 V HN 0.705 nan 8.190 nan 0.000 0.503 233 H N 9.370 128.455 119.070 0.025 0.000 3.157 233 H HA 0.133 4.689 4.556 -0.000 0.000 0.299 233 H C -1.753 173.448 175.328 -0.211 0.000 0.961 233 H CA -1.078 54.928 56.048 -0.069 0.000 1.428 233 H CB 0.896 30.667 29.762 0.015 0.000 1.459 233 H HN 0.495 nan 8.280 nan 0.000 0.566 234 P HA 0.033 nan 4.420 nan 0.000 0.256 234 P C -0.700 175.988 177.300 -1.019 0.000 1.384 234 P CA 0.268 62.842 63.100 -0.876 0.000 0.879 234 P CB -0.110 31.069 31.700 -0.869 0.000 1.403 235 F N -0.016 119.578 119.950 -0.593 0.000 2.881 235 F HA 0.369 4.896 4.527 -0.000 0.000 0.343 235 F C 0.476 175.994 175.800 -0.469 0.000 1.233 235 F CA -0.588 57.017 58.000 -0.660 0.000 1.262 235 F CB 0.206 38.364 39.000 -1.404 0.000 0.980 235 F HN -0.248 nan 8.300 nan 0.000 0.506 236 L N 0.578 121.727 121.223 -0.122 0.000 2.333 236 L HA 0.417 4.757 4.340 -0.000 0.000 0.280 236 L C -0.385 176.187 176.870 -0.496 0.000 1.004 236 L CA -0.670 53.950 54.840 -0.368 0.000 0.820 236 L CB 1.738 43.544 42.059 -0.421 0.000 1.247 236 L HN -0.143 nan 8.230 nan 0.000 0.416 237 D N 3.599 123.728 120.400 -0.452 0.000 2.564 237 D HA 0.354 4.994 4.640 -0.000 0.000 0.226 237 D C -0.753 175.345 176.300 -0.337 0.000 1.149 237 D CA -0.052 53.800 54.000 -0.248 0.000 0.994 237 D CB 0.429 41.099 40.800 -0.218 0.000 1.029 237 D HN 0.218 nan 8.370 nan 0.000 0.517 238 V N 0.393 119.969 119.914 -0.563 0.000 3.007 238 V HA 0.800 4.920 4.120 -0.000 0.000 0.311 238 V C -2.772 173.111 176.094 -0.353 0.000 1.120 238 V CA -2.177 59.819 62.300 -0.507 0.000 0.980 238 V CB 2.202 33.479 31.823 -0.909 0.000 1.033 238 V HN 0.057 nan 8.190 nan 0.000 0.429 239 P HA 0.394 nan 4.420 nan 0.000 0.278 239 P C 0.567 177.972 177.300 0.176 0.000 1.258 239 P CA 1.012 64.142 63.100 0.051 0.000 0.811 239 P CB 1.301 33.042 31.700 0.068 0.000 1.063 240 G N -0.113 108.806 108.800 0.197 0.000 2.314 240 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.292 240 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.292 240 G C -0.653 174.451 174.900 0.340 0.000 1.059 240 G CA -0.165 45.093 45.100 0.262 0.000 0.982 240 G HN 0.529 nan 8.290 nan 0.000 0.505 241 Y N 0.428 120.749 120.300 0.035 0.000 2.342 241 Y HA 0.645 5.195 4.550 -0.000 0.000 0.334 241 Y C 0.776 176.567 175.900 -0.181 0.000 1.067 241 Y CA -0.018 58.007 58.100 -0.124 0.000 1.128 241 Y CB 1.661 39.944 38.460 -0.294 0.000 1.200 241 Y HN 1.085 nan 8.280 nan 0.000 0.464 242 G N 3.774 112.313 108.800 -0.435 0.000 2.352 242 G HA2 0.087 4.047 3.960 -0.000 0.000 0.283 242 G HA3 0.087 4.047 3.960 -0.000 0.000 0.283 242 G C -1.795 172.796 174.900 -0.515 0.000 1.308 242 G CA -1.169 43.589 45.100 -0.570 0.000 0.892 242 G HN 0.403 nan 8.290 nan 0.000 0.504 243 Q N -0.446 118.973 119.800 -0.636 0.000 2.352 243 Q HA 0.544 4.884 4.340 -0.000 0.000 0.260 243 Q C -0.038 175.768 176.000 -0.323 0.000 0.976 243 Q CA -0.154 55.338 55.803 -0.518 0.000 0.881 243 Q CB 1.712 30.023 28.738 -0.712 0.000 1.235 243 Q HN 0.557 nan 8.270 nan 0.000 0.419 244 V N 2.251 122.062 119.914 -0.171 0.000 2.540 244 V HA 0.390 4.509 4.120 -0.000 0.000 0.302 244 V C -0.274 175.813 176.094 -0.012 0.000 1.035 244 V CA -0.820 61.384 62.300 -0.161 0.000 0.873 244 V CB 2.251 33.972 31.823 -0.169 0.000 0.992 244 V HN 0.495 nan 8.190 nan 0.000 0.428 245 V N 5.814 125.680 119.914 -0.080 0.000 2.398 245 V HA 0.529 4.649 4.120 -0.000 0.000 0.286 245 V C -0.517 175.573 176.094 -0.008 0.000 1.026 245 V CA -0.544 61.745 62.300 -0.018 0.000 0.868 245 V CB 1.587 33.390 31.823 -0.033 0.000 0.982 245 V HN 0.639 nan 8.190 nan 0.000 0.443 246 L N 5.252 126.512 121.223 0.062 0.000 2.376 246 L HA 0.935 5.275 4.340 -0.000 0.000 0.275 246 L C -0.159 176.684 176.870 -0.046 0.000 0.987 246 L CA -0.199 54.656 54.840 0.025 0.000 0.828 246 L CB 1.395 43.567 42.059 0.188 0.000 1.249 246 L HN 0.741 nan 8.230 nan 0.000 0.409 247 A N 4.118 126.834 122.820 -0.173 0.000 2.386 247 A HA 0.813 5.133 4.320 -0.000 0.000 0.311 247 A C -1.916 175.501 177.584 -0.278 0.000 1.068 247 A CA -0.375 51.586 52.037 -0.126 0.000 0.743 247 A CB 1.003 19.946 19.000 -0.095 0.000 1.258 247 A HN 0.611 nan 8.150 nan 0.000 0.429 248 Y N 1.179 121.501 120.300 0.036 0.000 2.425 248 Y HA 0.550 5.100 4.550 -0.000 0.000 0.344 248 Y C -0.085 175.836 175.900 0.036 0.000 0.969 248 Y CA -0.473 57.650 58.100 0.038 0.000 1.052 248 Y CB 2.387 40.871 38.460 0.041 0.000 1.215 248 Y HN 0.928 nan 8.280 nan 0.000 0.451 249 D N -0.705 119.803 120.400 0.181 0.000 2.895 249 D HA 0.136 4.776 4.640 -0.000 0.000 0.320 249 D C -0.154 176.211 176.300 0.108 0.000 1.249 249 D CA -0.789 53.286 54.000 0.125 0.000 0.997 249 D CB 0.022 40.875 40.800 0.087 0.000 1.430 249 D HN 0.339 nan 8.370 nan 0.000 0.558 250 N N -0.773 117.975 118.700 0.079 0.000 2.370 250 N HA 0.185 4.925 4.740 -0.000 0.000 0.198 250 N C 1.336 176.878 175.510 0.054 0.000 1.156 250 N CA 0.787 53.876 53.050 0.065 0.000 0.839 250 N CB 0.290 38.809 38.487 0.054 0.000 0.989 250 N HN 0.923 nan 8.380 nan 0.000 0.468 251 G N -0.574 108.258 108.800 0.053 0.000 2.254 251 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.225 251 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.225 251 G C 0.292 175.212 174.900 0.034 0.000 1.003 251 G CA 0.323 45.446 45.100 0.039 0.000 0.622 251 G HN 0.964 nan 8.290 nan 0.000 0.507 252 S N -0.361 115.363 115.700 0.039 0.000 2.941 252 S HA 0.674 5.144 4.470 -0.000 0.000 0.248 252 S C 0.753 175.381 174.600 0.046 0.000 0.962 252 S CA 0.685 58.908 58.200 0.037 0.000 1.092 252 S CB 0.619 63.839 63.200 0.033 0.000 1.113 252 S HN 1.553 nan 8.310 nan 0.000 0.512 253 G N 1.131 109.962 108.800 0.052 0.000 2.940 253 G HA2 0.667 4.627 3.960 -0.000 0.000 0.164 253 G HA3 0.667 4.627 3.960 -0.000 0.000 0.164 253 G C 0.579 175.517 174.900 0.064 0.000 1.326 253 G CA -0.285 44.854 45.100 0.066 0.000 1.020 253 G HN 0.663 nan 8.290 nan 0.000 0.586 254 A N -0.731 122.137 122.820 0.081 0.000 2.379 254 A HA 0.591 4.911 4.320 -0.000 0.000 0.236 254 A C 2.057 179.604 177.584 -0.061 0.000 1.272 254 A CA 1.144 53.220 52.037 0.065 0.000 0.886 254 A CB -0.425 18.714 19.000 0.232 0.000 0.962 254 A HN 1.060 nan 8.150 nan 0.000 0.504 255 A N 0.503 123.306 122.820 -0.029 0.000 1.940 255 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 255 A C 1.930 179.447 177.584 -0.112 0.000 1.176 255 A CA 1.618 53.613 52.037 -0.070 0.000 0.631 255 A CB -0.461 18.524 19.000 -0.025 0.000 0.814 255 A HN 0.545 nan 8.150 nan 0.000 0.446 256 I N -0.236 120.298 120.570 -0.060 0.000 2.233 256 I HA -0.193 3.977 4.170 -0.000 0.000 0.243 256 I C 1.858 177.901 176.117 -0.124 0.000 1.093 256 I CA 1.348 62.651 61.300 0.006 0.000 1.380 256 I CB -0.532 37.508 38.000 0.067 0.000 1.067 256 I HN 0.242 nan 8.210 nan 0.000 0.413 257 D N 1.461 121.729 120.400 -0.220 0.000 2.104 257 D HA -0.179 4.461 4.640 -0.000 0.000 0.194 257 D C 2.257 178.008 176.300 -0.915 0.000 0.994 257 D CA 1.683 55.454 54.000 -0.382 0.000 0.830 257 D CB -0.287 40.406 40.800 -0.179 0.000 0.959 257 D HN 0.354 nan 8.370 nan 0.000 0.452 258 A N 0.629 122.678 122.820 -1.285 0.000 1.883 258 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 258 A C 2.594 179.665 177.584 -0.855 0.000 1.186 258 A CA 1.491 52.486 52.037 -1.737 0.000 0.624 258 A CB -1.031 17.339 19.000 -1.050 0.000 0.822 258 A HN 0.356 nan 8.150 nan 0.000 0.444 259 C N -1.427 117.583 119.300 -0.484 0.000 2.440 259 C HA -0.026 4.434 4.460 -0.000 0.000 0.278 259 C C 2.820 177.538 174.990 -0.452 0.000 1.295 259 C CA 1.089 59.959 59.018 -0.247 0.000 1.738 259 C CB -1.239 26.523 27.740 0.036 0.000 1.987 259 C HN 0.707 nan 8.230 nan 0.000 0.492 260 R N 1.009 121.011 120.500 -0.830 0.000 2.070 260 R HA -0.176 4.164 4.340 -0.000 0.000 0.233 260 R C 1.958 177.894 176.300 -0.607 0.000 1.137 260 R CA 2.408 57.671 56.100 -1.395 0.000 0.945 260 R CB -0.653 29.026 30.300 -1.034 0.000 0.845 260 R HN 0.497 nan 8.270 nan 0.000 0.430 261 D N 0.243 120.410 120.400 -0.388 0.000 2.104 261 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 261 D C 2.038 178.316 176.300 -0.038 0.000 0.994 261 D CA 1.475 55.419 54.000 -0.093 0.000 0.830 261 D CB -0.112 40.790 40.800 0.169 0.000 0.959 261 D HN 0.321 nan 8.370 nan 0.000 0.452 262 L N -0.154 121.009 121.223 -0.100 0.000 2.109 262 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 262 L C 2.625 179.503 176.870 0.014 0.000 1.086 262 L CA 0.837 55.670 54.840 -0.010 0.000 0.760 262 L CB -0.378 41.660 42.059 -0.034 0.000 0.910 262 L HN -0.019 nan 8.230 nan 0.000 0.437 263 S N -0.774 114.916 115.700 -0.016 0.000 2.368 263 S HA -0.104 4.366 4.470 -0.000 0.000 0.225 263 S C 0.735 175.435 174.600 0.167 0.000 1.030 263 S CA 0.706 58.954 58.200 0.080 0.000 0.999 263 S CB -0.323 63.039 63.200 0.270 0.000 0.844 263 S HN 0.379 nan 8.310 nan 0.000 0.459 267 W N 2.961 124.254 121.300 -0.012 0.000 2.354 267 W HA -0.218 4.442 4.660 -0.000 0.000 0.315 267 W C 2.054 178.462 176.519 -0.186 0.000 1.206 267 W CA 2.354 59.598 57.345 -0.169 0.000 1.290 267 W CB 0.162 29.529 29.460 -0.154 0.000 1.152 267 W HN 0.120 nan 8.180 nan 0.000 0.489 268 K N 0.726 121.101 120.400 -0.041 0.000 2.160 268 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 268 K C 1.751 178.200 176.600 -0.252 0.000 1.047 268 K CA 1.859 58.052 56.287 -0.157 0.000 0.930 268 K CB -0.388 32.109 32.500 -0.004 0.000 0.720 268 K HN 0.058 nan 8.250 nan 0.000 0.450 269 A N 1.364 124.072 122.820 -0.187 0.000 2.345 269 A HA 0.041 4.361 4.320 -0.000 0.000 0.225 269 A C 1.643 179.087 177.584 -0.233 0.000 1.243 269 A CA -0.006 51.922 52.037 -0.182 0.000 0.875 269 A CB -0.374 18.580 19.000 -0.076 0.000 0.929 269 A HN 0.489 nan 8.150 nan 0.000 0.502 270 R N 0.068 120.228 120.500 -0.566 0.000 2.105 270 R HA -0.145 4.195 4.340 -0.000 0.000 0.239 270 R C 0.311 176.398 176.300 -0.355 0.000 1.135 270 R CA 1.808 57.326 56.100 -0.971 0.000 0.967 270 R CB -0.575 28.691 30.300 -1.724 0.000 0.861 270 R HN 0.279 nan 8.270 nan 0.000 0.442 271 D N 0.798 121.032 120.400 -0.276 0.000 2.349 271 D HA -0.028 4.612 4.640 -0.000 0.000 0.215 271 D C 1.105 177.353 176.300 -0.086 0.000 1.016 271 D CA 0.495 54.440 54.000 -0.092 0.000 0.870 271 D CB 0.173 40.923 40.800 -0.083 0.000 0.917 271 D HN 0.504 nan 8.370 nan 0.000 0.524 272 E N -0.134 119.964 120.200 -0.170 0.000 2.347 272 E HA -0.072 4.278 4.350 -0.000 0.000 0.196 272 E C 0.223 176.653 176.600 -0.282 0.000 1.008 272 E CA 0.287 56.532 56.400 -0.259 0.000 0.852 272 E CB 0.024 29.486 29.700 -0.397 0.000 0.783 272 E HN 0.220 nan 8.360 nan 0.000 0.505 273 F N 2.007 121.915 119.950 -0.071 0.000 2.733 273 F HA 0.166 4.693 4.527 -0.000 0.000 0.344 273 F C 0.370 176.140 175.800 -0.051 0.000 1.179 273 F CA 0.201 58.171 58.000 -0.050 0.000 1.316 273 F CB -0.085 38.910 39.000 -0.008 0.000 1.577 273 F HN -0.181 nan 8.300 nan 0.000 0.591 274 Q N 0.807 120.649 119.800 0.069 0.000 2.456 274 Q HA 0.574 4.914 4.340 -0.000 0.000 0.283 274 Q C -0.818 175.222 176.000 0.067 0.000 1.084 274 Q CA -1.171 54.678 55.803 0.076 0.000 0.801 274 Q CB 3.461 32.236 28.738 0.060 0.000 1.434 274 Q HN 0.458 nan 8.270 nan 0.000 0.419 275 E N 0.358 120.621 120.200 0.105 0.000 2.412 275 E HA 0.372 4.722 4.350 -0.000 0.000 0.279 275 E C -1.419 175.243 176.600 0.102 0.000 0.984 275 E CA -0.930 55.529 56.400 0.098 0.000 0.788 275 E CB 1.788 31.568 29.700 0.133 0.000 1.277 275 E HN 0.311 nan 8.360 nan 0.000 0.455 276 Q N 2.330 122.177 119.800 0.079 0.000 2.466 276 Q HA 0.368 4.708 4.340 -0.000 0.000 0.242 276 Q C -1.115 174.931 176.000 0.077 0.000 1.046 276 Q CA -0.296 55.552 55.803 0.074 0.000 0.841 276 Q CB 0.722 29.492 28.738 0.053 0.000 1.193 276 Q HN 0.590 nan 8.270 nan 0.000 0.508 280 V N 1.194 121.136 119.914 0.046 0.000 2.407 280 V HA -0.122 3.998 4.120 -0.000 0.000 0.248 280 V C 2.207 178.336 176.094 0.058 0.000 1.055 280 V CA 2.288 64.605 62.300 0.028 0.000 1.049 280 V CB -0.915 30.923 31.823 0.025 0.000 0.662 280 V HN 0.916 nan 8.190 nan 0.000 0.455 281 D N 0.057 120.550 120.400 0.155 0.000 2.097 281 D HA -0.121 4.519 4.640 -0.000 0.000 0.195 281 D C 2.310 178.741 176.300 0.217 0.000 0.989 281 D CA 1.058 55.242 54.000 0.307 0.000 0.827 281 D CB -0.189 40.810 40.800 0.332 0.000 0.966 281 D HN 0.318 nan 8.370 nan 0.000 0.456 282 K N 0.800 121.278 120.400 0.130 0.000 2.032 282 K HA -0.080 4.240 4.320 -0.000 0.000 0.209 282 K C 2.121 178.738 176.600 0.029 0.000 1.048 282 K CA 1.042 57.382 56.287 0.088 0.000 0.927 282 K CB -0.433 32.106 32.500 0.066 0.000 0.712 282 K HN 0.056 nan 8.250 nan 0.000 0.441 283 A N 1.656 124.474 122.820 -0.003 0.000 1.902 283 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 283 A C 2.310 179.814 177.584 -0.134 0.000 1.181 283 A CA 1.282 53.291 52.037 -0.046 0.000 0.623 283 A CB -0.684 18.292 19.000 -0.039 0.000 0.818 283 A HN 0.193 nan 8.150 nan 0.000 0.443 284 L N -0.926 120.144 121.223 -0.255 0.000 2.201 284 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 284 L C 2.550 179.066 176.870 -0.591 0.000 1.105 284 L CA 1.524 56.029 54.840 -0.558 0.000 0.775 284 L CB -0.345 41.112 42.059 -1.002 0.000 0.913 284 L HN 0.520 nan 8.230 nan 0.000 0.440 285 E N 0.998 121.036 120.200 -0.270 0.000 2.107 285 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 285 E C 2.072 178.675 176.600 0.005 0.000 0.982 285 E CA 1.042 57.462 56.400 0.034 0.000 0.809 285 E CB -0.110 29.733 29.700 0.239 0.000 0.756 285 E HN 0.408 nan 8.360 nan 0.000 0.459 286 I N 0.611 121.168 120.570 -0.022 0.000 2.208 286 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 286 I C 2.394 178.492 176.117 -0.031 0.000 1.097 286 I CA 1.162 62.454 61.300 -0.013 0.000 1.363 286 I CB -0.449 37.545 38.000 -0.010 0.000 1.051 286 I HN 0.213 nan 8.210 nan 0.000 0.413 287 A N 0.565 123.340 122.820 -0.075 0.000 1.933 287 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 287 A C 2.453 180.005 177.584 -0.053 0.000 1.175 287 A CA 1.681 53.672 52.037 -0.078 0.000 0.628 287 A CB -0.646 18.276 19.000 -0.129 0.000 0.814 287 A HN 0.360 nan 8.150 nan 0.000 0.444 288 R N -0.359 120.110 120.500 -0.051 0.000 2.148 288 R HA -0.092 4.248 4.340 -0.000 0.000 0.227 288 R C 1.377 177.694 176.300 0.028 0.000 1.103 288 R CA 1.759 57.865 56.100 0.010 0.000 0.983 288 R CB -0.166 30.185 30.300 0.085 0.000 0.874 288 R HN 0.635 nan 8.270 nan 0.000 0.451 289 T N -2.855 111.712 114.554 0.022 0.000 3.129 289 T HA 0.299 4.649 4.350 -0.000 0.000 0.267 289 T C -0.014 174.696 174.700 0.016 0.000 1.018 289 T CA -0.551 61.565 62.100 0.026 0.000 0.903 289 T CB 0.691 69.580 68.868 0.034 0.000 1.067 289 T HN -0.118 nan 8.240 nan 0.000 0.549 290 S N 0.951 116.656 115.700 0.007 0.000 2.503 290 S HA 0.487 4.957 4.470 -0.000 0.000 0.301 290 S C 0.850 175.453 174.600 0.005 0.000 1.087 290 S CA -1.087 57.116 58.200 0.006 0.000 1.042 290 S CB 2.002 65.203 63.200 0.002 0.000 1.043 290 S HN 0.170 nan 8.310 nan 0.000 0.489 291 R N 1.012 121.517 120.500 0.008 0.000 2.115 291 R HA 0.021 4.361 4.340 -0.000 0.000 0.226 291 R C 0.869 177.174 176.300 0.008 0.000 1.100 291 R CA 0.475 56.580 56.100 0.008 0.000 0.980 291 R CB -0.144 30.161 30.300 0.010 0.000 0.875 291 R HN 0.649 nan 8.270 nan 0.000 0.445 292 Q N 1.685 121.491 119.800 0.010 0.000 2.332 292 Q HA 0.061 4.401 4.340 -0.000 0.000 0.263 292 Q C -0.575 175.430 176.000 0.009 0.000 0.979 292 Q CA -0.372 55.440 55.803 0.014 0.000 0.885 292 Q CB 0.719 29.468 28.738 0.018 0.000 1.218 292 Q HN -0.024 nan 8.270 nan 0.000 0.405 293 L N 4.298 125.531 121.223 0.016 0.000 2.525 293 L HA 0.044 4.384 4.340 -0.000 0.000 0.278 293 L C -1.091 175.780 176.870 0.003 0.000 1.218 293 L CA 0.641 55.485 54.840 0.007 0.000 0.878 293 L CB 0.340 42.416 42.059 0.028 0.000 1.127 293 L HN 0.570 nan 8.230 nan 0.000 0.492 294 L N 5.504 126.709 121.223 -0.029 0.000 2.289 294 L HA 0.533 4.873 4.340 -0.000 0.000 0.285 294 L C 0.061 176.883 176.870 -0.080 0.000 1.049 294 L CA -0.374 54.442 54.840 -0.040 0.000 0.804 294 L CB 1.052 43.078 42.059 -0.056 0.000 1.195 294 L HN 0.853 nan 8.230 nan 0.000 0.428 295 A N 6.115 128.885 122.820 -0.082 0.000 2.267 295 A HA 0.640 4.960 4.320 -0.000 0.000 0.315 295 A C -0.497 177.009 177.584 -0.130 0.000 1.297 295 A CA -0.500 51.403 52.037 -0.223 0.000 0.865 295 A CB 0.386 19.121 19.000 -0.442 0.000 1.165 295 A HN 0.674 nan 8.150 nan 0.000 0.513 296 L N 3.129 124.225 121.223 -0.213 0.000 2.265 296 L HA 0.475 4.815 4.340 -0.000 0.000 0.289 296 L C 0.973 177.628 176.870 -0.358 0.000 1.033 296 L CA -0.617 54.114 54.840 -0.181 0.000 0.814 296 L CB 1.566 43.545 42.059 -0.133 0.000 1.203 296 L HN 0.789 nan 8.230 nan 0.000 0.423 297 G N 1.262 109.828 108.800 -0.390 0.000 2.372 297 G HA2 0.035 3.995 3.960 -0.000 0.000 0.286 297 G HA3 0.035 3.995 3.960 -0.000 0.000 0.286 297 G C -0.130 174.647 174.900 -0.205 0.000 1.153 297 G CA -0.287 44.522 45.100 -0.485 0.000 0.985 297 G HN 0.632 nan 8.290 nan 0.000 0.429 298 D N 2.273 122.551 120.400 -0.203 0.000 2.498 298 D HA 0.031 4.670 4.640 -0.000 0.000 0.229 298 D C 1.602 177.837 176.300 -0.107 0.000 1.188 298 D CA -0.340 53.584 54.000 -0.127 0.000 1.028 298 D CB 0.920 41.647 40.800 -0.120 0.000 1.087 298 D HN 0.476 nan 8.370 nan 0.000 0.510 299 Q N 2.368 122.116 119.800 -0.086 0.000 2.135 299 Q HA -0.103 4.237 4.340 -0.000 0.000 0.204 299 Q C 1.838 177.755 176.000 -0.138 0.000 0.981 299 Q CA 2.143 57.883 55.803 -0.104 0.000 0.856 299 Q CB -0.454 28.234 28.738 -0.084 0.000 0.902 299 Q HN 0.473 nan 8.270 nan 0.000 0.425 300 G N -0.944 107.793 108.800 -0.105 0.000 2.598 300 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.215 300 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.215 300 G C -0.165 174.668 174.900 -0.112 0.000 1.131 300 G CA 0.627 45.666 45.100 -0.102 0.000 0.785 300 G HN 0.413 nan 8.290 nan 0.000 0.539 301 D N -0.517 119.815 120.400 -0.112 0.000 2.735 301 D HA 0.204 4.844 4.640 -0.000 0.000 0.291 301 D C -0.139 176.088 176.300 -0.122 0.000 1.205 301 D CA -0.548 53.380 54.000 -0.119 0.000 0.777 301 D CB 0.054 40.795 40.800 -0.098 0.000 1.234 301 D HN 0.045 nan 8.370 nan 0.000 0.520 302 R N 1.192 121.623 120.500 -0.115 0.000 2.207 302 R HA 0.484 4.824 4.340 -0.000 0.000 0.334 302 R C 0.309 176.554 176.300 -0.092 0.000 1.013 302 R CA -0.782 55.267 56.100 -0.085 0.000 0.858 302 R CB 1.793 32.071 30.300 -0.036 0.000 1.094 302 R HN 0.039 nan 8.270 nan 0.000 0.457 306 A N -1.214 121.606 122.820 0.000 0.000 3.021 306 A HA 0.086 4.406 4.320 -0.000 0.000 0.257 306 A C 1.630 179.175 177.584 -0.066 0.000 1.277 306 A CA 1.505 53.512 52.037 -0.049 0.000 1.012 306 A CB -1.618 17.384 19.000 0.004 0.000 1.147 306 A HN 2.114 nan 8.150 nan 0.000 0.861 307 G N -0.754 107.977 108.800 -0.115 0.000 2.636 307 G HA2 0.443 4.403 3.960 -0.000 0.000 0.246 307 G HA3 0.443 4.403 3.960 -0.000 0.000 0.246 307 G C -0.588 174.139 174.900 -0.287 0.000 1.216 307 G CA -0.350 44.599 45.100 -0.252 0.000 0.854 307 G HN 0.272 nan 8.290 nan 0.000 0.572 308 P HA 0.028 nan 4.420 nan 0.000 0.222 308 P C 1.212 178.297 177.300 -0.359 0.000 1.153 308 P CA 1.257 64.110 63.100 -0.411 0.000 0.798 308 P CB 0.265 31.762 31.700 -0.339 0.000 0.796 309 G N 1.591 110.265 108.800 -0.209 0.000 2.176 309 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.252 309 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.252 309 G C 0.428 175.314 174.900 -0.024 0.000 1.024 309 G CA 0.487 45.499 45.100 -0.145 0.000 0.755 309 G HN 0.502 nan 8.290 nan 0.000 0.507 310 D N -0.517 119.910 120.400 0.043 0.000 2.340 310 D HA 0.184 4.824 4.640 -0.000 0.000 0.217 310 D C 0.897 177.237 176.300 0.066 0.000 1.081 310 D CA 0.428 54.518 54.000 0.150 0.000 0.842 310 D CB 0.117 41.120 40.800 0.339 0.000 0.934 310 D HN 0.307 nan 8.370 nan 0.000 0.511 311 S N 2.097 117.803 115.700 0.011 0.000 2.455 311 S HA 0.197 4.667 4.470 -0.000 0.000 0.278 311 S C -1.750 172.848 174.600 -0.004 0.000 1.216 311 S CA -1.037 57.160 58.200 -0.004 0.000 1.055 311 S CB 1.078 64.260 63.200 -0.029 0.000 0.939 311 S HN 0.026 nan 8.310 nan 0.000 0.494 312 P HA 0.166 nan 4.420 nan 0.000 0.256 312 P C 0.684 177.999 177.300 0.025 0.000 1.384 312 P CA -0.030 63.081 63.100 0.019 0.000 0.879 312 P CB 0.415 32.137 31.700 0.036 0.000 1.403 313 E N 1.381 121.583 120.200 0.004 0.000 2.058 313 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 313 E C 1.822 178.419 176.600 -0.005 0.000 0.997 313 E CA 1.427 57.825 56.400 -0.004 0.000 0.801 313 E CB -1.044 28.645 29.700 -0.017 0.000 0.746 313 E HN 0.220 nan 8.360 nan 0.000 0.450 314 I N 0.292 120.857 120.570 -0.008 0.000 2.286 314 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 314 I C 2.365 178.489 176.117 0.012 0.000 1.115 314 I CA 0.975 62.268 61.300 -0.012 0.000 1.392 314 I CB -0.423 37.559 38.000 -0.031 0.000 1.065 314 I HN 0.188 nan 8.210 nan 0.000 0.418 315 A N 0.722 123.566 122.820 0.041 0.000 1.933 315 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 315 A C 2.463 180.100 177.584 0.089 0.000 1.175 315 A CA 1.603 53.695 52.037 0.091 0.000 0.628 315 A CB -0.609 18.478 19.000 0.146 0.000 0.814 315 A HN 0.339 nan 8.150 nan 0.000 0.444 316 R N -0.398 120.136 120.500 0.056 0.000 2.070 316 R HA -0.097 4.243 4.340 -0.000 0.000 0.233 316 R C 2.012 178.291 176.300 -0.034 0.000 1.137 316 R CA 1.866 57.980 56.100 0.024 0.000 0.945 316 R CB -0.442 29.860 30.300 0.003 0.000 0.845 316 R HN 0.318 nan 8.270 nan 0.000 0.430 317 V N 1.224 121.100 119.914 -0.064 0.000 2.343 317 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 317 V C 2.526 178.657 176.094 0.062 0.000 1.051 317 V CA 1.915 64.132 62.300 -0.138 0.000 1.036 317 V CB -0.862 30.922 31.823 -0.065 0.000 0.654 317 V HN 0.536 nan 8.190 nan 0.000 0.451 318 A N -0.081 122.802 122.820 0.106 0.000 1.865 318 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 318 A C 2.251 179.940 177.584 0.176 0.000 1.191 318 A CA 2.072 54.214 52.037 0.175 0.000 0.623 318 A CB -0.644 18.400 19.000 0.073 0.000 0.826 318 A HN 0.487 nan 8.150 nan 0.000 0.444 319 L N -0.933 120.347 121.223 0.095 0.000 2.012 319 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 319 L C 2.669 179.572 176.870 0.054 0.000 1.073 319 L CA 1.993 56.868 54.840 0.058 0.000 0.748 319 L CB -0.539 41.533 42.059 0.021 0.000 0.891 319 L HN 0.520 nan 8.230 nan 0.000 0.431 320 E N -1.616 118.606 120.200 0.038 0.000 2.190 320 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 320 E C 1.701 178.417 176.600 0.193 0.000 0.978 320 E CA 0.723 57.159 56.400 0.059 0.000 0.839 320 E CB 0.141 29.833 29.700 -0.013 0.000 0.787 320 E HN 0.668 nan 8.360 nan 0.000 0.473 321 H N -1.858 117.210 119.070 -0.003 0.000 2.750 321 H HA 0.162 4.718 4.556 -0.000 0.000 0.263 321 H C -0.128 174.886 175.328 -0.524 0.000 0.964 321 H CA -0.141 55.766 56.048 -0.235 0.000 1.205 321 H CB 0.757 30.373 29.762 -0.243 0.000 1.454 321 H HN -0.002 nan 8.280 nan 0.000 0.503 322 F N 2.175 122.197 119.950 0.120 0.000 2.564 322 F HA 0.269 4.796 4.527 -0.000 0.000 0.329 322 F C -2.507 173.317 175.800 0.039 0.000 1.458 322 F CA -2.639 55.400 58.000 0.066 0.000 1.117 322 F CB 0.759 39.792 39.000 0.056 0.000 1.383 322 F HN -0.111 nan 8.300 nan 0.000 0.571 323 P HA 0.143 nan 4.420 nan 0.000 0.265 323 P C 1.015 178.368 177.300 0.087 0.000 1.193 323 P CA 1.252 64.402 63.100 0.084 0.000 0.765 323 P CB 1.199 32.920 31.700 0.035 0.000 0.823 324 G N 1.516 110.358 108.800 0.070 0.000 2.241 324 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 324 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 324 G C -0.140 174.801 174.900 0.069 0.000 0.998 324 G CA 0.024 45.160 45.100 0.059 0.000 0.621 324 G HN 0.606 nan 8.290 nan 0.000 0.519 325 L N 1.738 123.020 121.223 0.099 0.000 2.410 325 L HA 0.580 4.920 4.340 -0.000 0.000 0.273 325 L C 0.523 177.417 176.870 0.041 0.000 1.144 325 L CA 0.008 54.891 54.840 0.071 0.000 0.863 325 L CB 0.526 42.636 42.059 0.085 0.000 1.140 325 L HN 0.173 nan 8.230 nan 0.000 0.463 326 K N 4.447 124.859 120.400 0.019 0.000 2.273 326 K HA 0.450 4.770 4.320 -0.000 0.000 0.287 326 K C -1.203 175.394 176.600 -0.004 0.000 1.089 326 K CA -0.247 56.050 56.287 0.016 0.000 0.909 326 K CB 0.711 33.217 32.500 0.011 0.000 1.123 326 K HN 0.414 nan 8.250 nan 0.000 0.473 327 V N 2.013 121.934 119.914 0.012 0.000 2.656 327 V HA 0.638 4.758 4.120 -0.000 0.000 0.307 327 V C -0.555 175.559 176.094 0.033 0.000 1.051 327 V CA -1.090 61.207 62.300 -0.005 0.000 0.893 327 V CB 1.814 33.632 31.823 -0.009 0.000 0.999 327 V HN 0.769 nan 8.190 nan 0.000 0.426 328 A N 3.978 126.807 122.820 0.015 0.000 2.342 328 A HA 0.931 5.251 4.320 -0.000 0.000 0.323 328 A C -1.027 176.657 177.584 0.167 0.000 1.125 328 A CA -0.575 51.526 52.037 0.107 0.000 0.785 328 A CB 1.661 20.737 19.000 0.127 0.000 1.221 328 A HN 0.773 nan 8.150 nan 0.000 0.463 329 V N 3.895 123.928 119.914 0.199 0.000 2.623 329 V HA 0.521 4.641 4.120 -0.000 0.000 0.304 329 V C -2.640 173.542 176.094 0.146 0.000 1.054 329 V CA -1.543 60.849 62.300 0.154 0.000 0.882 329 V CB 2.272 34.137 31.823 0.070 0.000 1.002 329 V HN 0.838 nan 8.190 nan 0.000 0.424 330 P HA 0.472 nan 4.420 nan 0.000 0.293 330 P C -1.106 176.172 177.300 -0.036 0.000 1.300 330 P CA -0.402 62.710 63.100 0.019 0.000 0.792 330 P CB 1.802 33.366 31.700 -0.228 0.000 0.925 331 V N 5.071 124.976 119.914 -0.015 0.000 2.577 331 V HA 0.176 4.296 4.120 -0.000 0.000 0.303 331 V C -0.603 175.510 176.094 0.033 0.000 1.042 331 V CA -0.877 61.418 62.300 -0.009 0.000 0.872 331 V CB 1.660 33.457 31.823 -0.043 0.000 0.998 331 V HN 0.441 nan 8.190 nan 0.000 0.423 332 Y N 4.407 124.664 120.300 -0.071 0.000 2.537 332 Y HA 0.421 4.971 4.550 -0.000 0.000 0.339 332 Y C 0.140 176.056 175.900 0.026 0.000 1.066 332 Y CA 0.478 58.547 58.100 -0.051 0.000 1.357 332 Y CB 0.423 38.823 38.460 -0.100 0.000 1.175 332 Y HN 0.724 nan 8.280 nan 0.000 0.525 333 D N 8.403 128.575 120.400 -0.380 0.000 2.668 333 D HA 0.166 4.806 4.640 -0.000 0.000 0.234 333 D C -2.517 173.604 176.300 -0.299 0.000 1.349 333 D CA -1.208 52.622 54.000 -0.283 0.000 0.889 333 D CB 1.411 42.132 40.800 -0.133 0.000 1.520 333 D HN 0.257 nan 8.370 nan 0.000 0.521 334 P HA -0.103 nan 4.420 nan 0.000 0.217 334 P C 1.444 178.674 177.300 -0.117 0.000 1.150 334 P CA 0.939 63.895 63.100 -0.239 0.000 0.832 334 P CB 0.477 32.040 31.700 -0.228 0.000 0.787 335 Q N -0.488 119.259 119.800 -0.089 0.000 2.124 335 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 335 Q C 2.010 177.975 176.000 -0.058 0.000 0.977 335 Q CA 1.740 57.511 55.803 -0.054 0.000 0.850 335 Q CB -0.580 28.132 28.738 -0.043 0.000 0.901 335 Q HN 0.091 nan 8.270 nan 0.000 0.429 336 A N -0.247 122.523 122.820 -0.083 0.000 1.877 336 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 336 A C 2.204 179.743 177.584 -0.075 0.000 1.186 336 A CA 1.500 53.484 52.037 -0.089 0.000 0.620 336 A CB -0.837 18.081 19.000 -0.136 0.000 0.822 336 A HN 0.294 nan 8.150 nan 0.000 0.443 337 V N 0.219 120.086 119.914 -0.078 0.000 2.282 337 V HA -0.345 3.775 4.120 -0.000 0.000 0.249 337 V C 2.681 178.756 176.094 -0.031 0.000 1.057 337 V CA 2.494 64.764 62.300 -0.051 0.000 1.032 337 V CB -0.881 30.915 31.823 -0.045 0.000 0.645 337 V HN 0.539 nan 8.190 nan 0.000 0.447 338 R N -0.487 119.995 120.500 -0.031 0.000 2.075 338 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 338 R C 2.433 178.727 176.300 -0.010 0.000 1.126 338 R CA 1.850 57.940 56.100 -0.016 0.000 0.963 338 R CB -0.755 29.537 30.300 -0.014 0.000 0.858 338 R HN 0.527 nan 8.270 nan 0.000 0.435 339 T N 1.059 115.605 114.554 -0.013 0.000 2.720 339 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 339 T C 1.953 176.656 174.700 0.003 0.000 1.037 339 T CA 1.534 63.633 62.100 -0.003 0.000 1.144 339 T CB -0.253 68.614 68.868 -0.002 0.000 0.864 339 T HN 0.386 nan 8.240 nan 0.000 0.444 340 A N 1.696 124.514 122.820 -0.004 0.000 1.877 340 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 340 A C 2.373 179.961 177.584 0.007 0.000 1.186 340 A CA 1.407 53.446 52.037 0.004 0.000 0.620 340 A CB -0.531 18.464 19.000 -0.009 0.000 0.822 340 A HN 0.388 nan 8.150 nan 0.000 0.443 341 R N -0.551 119.950 120.500 0.002 0.000 2.127 341 R HA -0.107 4.233 4.340 -0.000 0.000 0.238 341 R C 1.992 178.296 176.300 0.008 0.000 1.134 341 R CA 1.328 57.431 56.100 0.005 0.000 0.975 341 R CB -0.162 30.139 30.300 0.003 0.000 0.865 341 R HN 0.555 nan 8.270 nan 0.000 0.447 342 E N 0.187 120.391 120.200 0.008 0.000 2.076 342 E HA -0.081 4.269 4.350 -0.000 0.000 0.190 342 E C 1.980 178.587 176.600 0.013 0.000 0.979 342 E CA 1.065 57.471 56.400 0.009 0.000 0.807 342 E CB -0.057 29.648 29.700 0.009 0.000 0.761 342 E HN 0.304 nan 8.360 nan 0.000 0.454 343 A N 0.976 123.806 122.820 0.016 0.000 1.930 343 A HA 0.135 4.455 4.320 -0.000 0.000 0.217 343 A C 1.268 178.864 177.584 0.020 0.000 1.175 343 A CA 1.561 53.610 52.037 0.021 0.000 0.627 343 A CB -0.560 18.457 19.000 0.029 0.000 0.815 343 A HN 0.321 nan 8.150 nan 0.000 0.443 344 G N -1.018 107.793 108.800 0.018 0.000 2.690 344 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.686 344 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.686 344 G C -0.647 174.266 174.900 0.021 0.000 1.277 344 G CA -0.266 44.844 45.100 0.017 0.000 0.799 344 G HN 0.552 nan 8.290 nan 0.000 0.613 345 E N 1.096 121.308 120.200 0.019 0.000 2.502 345 E HA 0.099 4.449 4.350 -0.000 0.000 0.261 345 E C 1.200 177.814 176.600 0.023 0.000 0.974 345 E CA 0.772 57.185 56.400 0.021 0.000 0.936 345 E CB 0.178 29.888 29.700 0.016 0.000 0.926 345 E HN 0.638 nan 8.360 nan 0.000 0.459 346 N N -0.758 117.959 118.700 0.029 0.000 2.962 346 N HA -0.172 4.568 4.740 -0.000 0.000 0.206 346 N C -0.369 175.160 175.510 0.032 0.000 0.907 346 N CA 0.889 53.956 53.050 0.029 0.000 1.029 346 N CB -0.900 37.600 38.487 0.021 0.000 1.009 346 N HN 0.533 nan 8.380 nan 0.000 0.587 347 A N 0.934 123.775 122.820 0.035 0.000 2.386 347 A HA 0.520 4.840 4.320 -0.000 0.000 0.248 347 A C 0.432 178.047 177.584 0.051 0.000 1.082 347 A CA 0.723 52.782 52.037 0.037 0.000 0.789 347 A CB 0.454 19.475 19.000 0.035 0.000 1.025 347 A HN 0.146 nan 8.150 nan 0.000 0.490 348 T N 1.329 115.910 114.554 0.046 0.000 2.779 348 T HA 0.544 4.894 4.350 -0.000 0.000 0.280 348 T C -0.657 174.079 174.700 0.061 0.000 0.987 348 T CA -0.263 61.871 62.100 0.057 0.000 0.966 348 T CB 1.033 69.921 68.868 0.033 0.000 0.933 348 T HN 0.503 nan 8.240 nan 0.000 0.442 349 V N 3.583 123.554 119.914 0.095 0.000 2.577 349 V HA 0.507 4.627 4.120 -0.000 0.000 0.303 349 V C 0.399 176.566 176.094 0.122 0.000 1.042 349 V CA -1.200 61.156 62.300 0.094 0.000 0.872 349 V CB 1.765 33.647 31.823 0.098 0.000 0.998 349 V HN 0.760 nan 8.190 nan 0.000 0.423 353 V N 2.253 122.184 119.914 0.028 0.000 2.472 353 V HA 0.840 4.960 4.120 -0.000 0.000 0.290 353 V C 1.109 177.169 176.094 -0.056 0.000 1.037 353 V CA 1.068 63.298 62.300 -0.117 0.000 0.908 353 V CB 1.153 32.732 31.823 -0.407 0.000 0.985 353 V HN 2.633 nan 8.190 nan 0.000 0.454 354 G N 3.495 112.263 108.800 -0.054 0.000 2.855 354 G HA2 0.313 4.273 3.960 -0.000 0.000 0.352 354 G HA3 0.313 4.273 3.960 -0.000 0.000 0.352 354 G C 0.852 175.753 174.900 0.002 0.000 1.415 354 G CA -0.180 44.920 45.100 0.001 0.000 0.871 354 G HN 2.259 nan 8.290 nan 0.000 0.543 355 G N -2.001 106.816 108.800 0.028 0.000 2.189 355 G HA2 0.074 4.034 3.960 -0.000 0.000 0.267 355 G HA3 0.074 4.034 3.960 -0.000 0.000 0.267 355 G C 1.715 176.561 174.900 -0.089 0.000 0.975 355 G CA 1.621 46.715 45.100 -0.009 0.000 0.644 355 G HN 2.532 nan 8.290 nan 0.000 0.537 356 A N -1.053 121.655 122.820 -0.188 0.000 2.067 356 A HA 0.479 4.799 4.320 -0.000 0.000 0.219 356 A C 1.806 178.917 177.584 -0.789 0.000 1.158 356 A CA 2.006 53.718 52.037 -0.542 0.000 0.661 356 A CB -0.296 18.225 19.000 -0.798 0.000 0.801 356 A HN 0.752 nan 8.150 nan 0.000 0.452 357 F N -1.484 118.476 119.950 0.017 0.000 2.667 357 F HA 0.164 4.691 4.527 -0.000 0.000 0.288 357 F C 0.666 176.445 175.800 -0.034 0.000 1.086 357 F CA 0.258 58.258 58.000 0.001 0.000 1.297 357 F CB -0.065 38.945 39.000 0.017 0.000 1.059 357 F HN -0.189 nan 8.300 nan 0.000 0.624 358 T N -0.066 114.550 114.554 0.104 0.000 2.747 358 T HA 0.025 4.375 4.350 -0.000 0.000 0.301 358 T C 1.185 175.874 174.700 -0.018 0.000 0.952 358 T CA 0.163 62.275 62.100 0.020 0.000 0.983 358 T CB 0.369 69.234 68.868 -0.005 0.000 0.930 358 T HN 0.387 nan 8.240 nan 0.000 0.494 359 H N 2.569 121.621 119.070 -0.030 0.000 2.431 359 H HA -0.127 4.429 4.556 -0.000 0.000 0.297 359 H C 2.266 177.562 175.328 -0.054 0.000 1.115 359 H CA 2.139 58.160 56.048 -0.046 0.000 1.277 359 H CB -0.291 29.441 29.762 -0.051 0.000 1.372 359 H HN 0.592 nan 8.280 nan 0.000 0.516 360 S N -0.354 115.306 115.700 -0.066 0.000 2.561 360 S HA 0.162 4.632 4.470 -0.000 0.000 0.225 360 S C 0.526 175.097 174.600 -0.049 0.000 0.977 360 S CA 0.357 58.514 58.200 -0.071 0.000 0.926 360 S CB -0.820 62.319 63.200 -0.100 0.000 0.769 360 S HN 0.767 nan 8.310 nan 0.000 0.533 361 V N -1.487 118.404 119.914 -0.038 0.000 3.007 361 V HA 0.950 5.070 4.120 -0.000 0.000 0.311 361 V C -0.439 175.643 176.094 -0.020 0.000 1.120 361 V CA -1.054 61.230 62.300 -0.026 0.000 0.980 361 V CB 1.184 32.995 31.823 -0.021 0.000 1.033 361 V HN 0.122 nan 8.190 nan 0.000 0.429 362 A N 3.839 126.652 122.820 -0.012 0.000 2.304 362 A HA 0.929 5.249 4.320 -0.000 0.000 0.301 362 A C -2.472 175.114 177.584 0.003 0.000 1.132 362 A CA -1.780 50.252 52.037 -0.008 0.000 0.819 362 A CB 0.180 19.178 19.000 -0.002 0.000 1.094 362 A HN 0.834 nan 8.150 nan 0.000 0.492 363 P HA 0.198 nan 4.420 nan 0.000 0.268 363 P C -0.792 176.542 177.300 0.056 0.000 1.208 363 P CA -0.149 62.960 63.100 0.015 0.000 0.777 363 P CB 0.345 32.044 31.700 -0.002 0.000 0.875 364 L N 2.190 123.475 121.223 0.103 0.000 2.264 364 L HA 0.316 4.656 4.340 -0.000 0.000 0.287 364 L C -0.020 177.029 176.870 0.298 0.000 1.039 364 L CA -0.090 54.863 54.840 0.188 0.000 0.829 364 L CB 0.066 42.280 42.059 0.259 0.000 1.211 364 L HN 0.281 nan 8.230 nan 0.000 0.427 365 E N 5.425 125.741 120.200 0.193 0.000 2.156 365 E HA 0.560 4.910 4.350 -0.000 0.000 0.279 365 E C -0.943 175.699 176.600 0.070 0.000 0.965 365 E CA -0.640 55.869 56.400 0.183 0.000 0.789 365 E CB 0.707 30.460 29.700 0.089 0.000 1.098 365 E HN 0.502 nan 8.360 nan 0.000 0.397 366 R N 2.645 123.141 120.500 -0.007 0.000 2.733 366 R HA 0.223 4.563 4.340 -0.000 0.000 0.272 366 R C -1.473 174.620 176.300 -0.347 0.000 1.029 366 R CA -0.843 55.031 56.100 -0.377 0.000 0.888 366 R CB 0.673 30.407 30.300 -0.943 0.000 1.251 366 R HN 0.554 nan 8.270 nan 0.000 0.464 367 D N 1.376 121.584 120.400 -0.319 0.000 2.383 367 D HA 0.102 4.742 4.640 -0.000 0.000 0.245 367 D C -0.374 175.772 176.300 -0.257 0.000 1.263 367 D CA 0.352 54.242 54.000 -0.183 0.000 0.936 367 D CB 0.039 40.767 40.800 -0.118 0.000 1.053 367 D HN 0.119 nan 8.370 nan 0.000 0.507 368 W N 1.399 122.703 121.300 0.007 0.000 2.316 368 W HA 0.206 4.866 4.660 -0.000 0.000 0.311 368 W C 0.731 177.256 176.519 0.010 0.000 1.217 368 W CA -0.560 56.791 57.345 0.010 0.000 1.199 368 W CB 0.979 30.446 29.460 0.011 0.000 1.202 368 W HN -0.026 nan 8.180 nan 0.000 0.528 369 T N 2.926 117.619 114.554 0.232 0.000 2.799 369 T HA 0.267 4.617 4.350 -0.000 0.000 0.286 369 T C -0.262 174.531 174.700 0.155 0.000 0.973 369 T CA -0.670 61.519 62.100 0.149 0.000 1.035 369 T CB 0.942 69.863 68.868 0.088 0.000 0.932 369 T HN 0.072 nan 8.240 nan 0.000 0.469 370 V N 5.994 125.972 119.914 0.107 0.000 2.338 370 V HA 0.161 4.281 4.120 -0.000 0.000 0.255 370 V C 1.454 177.583 176.094 0.058 0.000 1.082 370 V CA -0.344 62.002 62.300 0.077 0.000 0.951 370 V CB 0.224 32.080 31.823 0.055 0.000 1.102 370 V HN 0.740 nan 8.190 nan 0.000 0.489 371 R N 2.861 123.396 120.500 0.059 0.000 2.100 371 R HA 0.156 4.496 4.340 -0.000 0.000 0.220 371 R C 0.765 177.081 176.300 0.027 0.000 1.091 371 R CA 0.586 56.712 56.100 0.044 0.000 0.986 371 R CB 0.159 30.489 30.300 0.049 0.000 0.888 371 R HN 0.602 nan 8.270 nan 0.000 0.444 372 K N 0.157 120.569 120.400 0.020 0.000 2.542 372 K HA 0.350 4.670 4.320 -0.000 0.000 0.259 372 K C -1.598 175.004 176.600 0.004 0.000 0.932 372 K CA -0.446 55.846 56.287 0.008 0.000 0.820 372 K CB 1.509 34.007 32.500 -0.003 0.000 1.345 372 K HN -0.115 nan 8.250 nan 0.000 0.432 373 L N 4.598 125.823 121.223 0.002 0.000 2.305 373 L HA 0.668 5.008 4.340 -0.000 0.000 0.284 373 L C -0.400 176.468 176.870 -0.002 0.000 1.013 373 L CA -0.801 54.039 54.840 0.001 0.000 0.819 373 L CB 1.228 43.290 42.059 0.005 0.000 1.227 373 L HN 0.929 nan 8.230 nan 0.000 0.417 374 C N 1.244 120.542 119.300 -0.003 0.000 3.314 374 C HA 0.709 5.169 4.460 -0.000 0.000 0.344 374 C C -0.605 174.388 174.990 0.006 0.000 1.461 374 C CA -1.244 57.771 59.018 -0.006 0.000 1.249 374 C CB 1.975 29.702 27.740 -0.023 0.000 1.632 374 C HN 0.853 nan 8.230 nan 0.000 0.452 375 R N 0.852 121.357 120.500 0.007 0.000 2.297 375 R HA 0.630 4.970 4.340 -0.000 0.000 0.308 375 R C 0.255 176.578 176.300 0.037 0.000 1.029 375 R CA 0.300 56.415 56.100 0.025 0.000 0.929 375 R CB 1.105 31.415 30.300 0.017 0.000 1.046 375 R HN 1.245 nan 8.270 nan 0.000 0.461 376 A N 5.277 128.152 122.820 0.092 0.000 3.077 376 A HA 0.211 4.530 4.320 -0.000 0.000 0.255 376 A C -0.026 177.647 177.584 0.148 0.000 1.728 376 A CA -0.253 51.882 52.037 0.164 0.000 1.383 376 A CB -0.631 18.601 19.000 0.388 0.000 1.097 376 A HN 0.636 nan 8.150 nan 0.000 0.634 377 R N 0.728 121.289 120.500 0.102 0.000 2.514 377 R HA 0.736 5.076 4.340 -0.000 0.000 0.301 377 R C -0.801 175.579 176.300 0.134 0.000 0.962 377 R CA -0.418 55.684 56.100 0.003 0.000 0.882 377 R CB 0.628 30.905 30.300 -0.038 0.000 1.143 377 R HN 0.648 nan 8.270 nan 0.000 0.452 378 F N -1.435 118.411 119.950 -0.174 0.000 2.900 378 F HA 0.456 4.983 4.527 -0.000 0.000 0.321 378 F C -1.644 174.084 175.800 -0.119 0.000 1.160 378 F CA -1.078 56.845 58.000 -0.128 0.000 0.890 378 F CB 1.077 40.008 39.000 -0.115 0.000 1.334 378 F HN 0.283 nan 8.300 nan 0.000 0.459 379 T N 1.964 116.543 114.554 0.042 0.000 2.779 379 T HA 0.344 4.694 4.350 -0.000 0.000 0.280 379 T C -0.670 174.107 174.700 0.128 0.000 0.987 379 T CA -0.752 61.316 62.100 -0.053 0.000 0.966 379 T CB 0.656 69.506 68.868 -0.031 0.000 0.933 379 T HN 0.539 nan 8.240 nan 0.000 0.442 380 N N 3.060 121.790 118.700 0.049 0.000 2.411 380 N HA 0.064 4.804 4.740 -0.000 0.000 0.261 380 N C 1.258 176.820 175.510 0.087 0.000 1.248 380 N CA 0.094 53.234 53.050 0.151 0.000 0.885 380 N CB 1.025 39.582 38.487 0.117 0.000 1.062 380 N HN 0.563 nan 8.380 nan 0.000 0.471 381 I N 1.508 122.132 120.570 0.089 0.000 2.252 381 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 381 I C 1.641 177.787 176.117 0.048 0.000 1.102 381 I CA 1.031 62.357 61.300 0.043 0.000 1.385 381 I CB -0.385 37.623 38.000 0.014 0.000 1.064 381 I HN 0.772 nan 8.210 nan 0.000 0.414 382 G N 0.189 109.043 108.800 0.089 0.000 2.512 382 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.210 382 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.210 382 G C -2.148 172.818 174.900 0.109 0.000 1.295 382 G CA -0.234 44.938 45.100 0.119 0.000 0.934 382 G HN 0.008 nan 8.290 nan 0.000 0.554 383 P HA 0.012 nan 4.420 nan 0.000 0.215 383 P C 1.108 178.490 177.300 0.136 0.000 1.153 383 P CA 1.522 64.680 63.100 0.097 0.000 0.853 383 P CB -0.091 31.661 31.700 0.086 0.000 0.788 387 G N 0.693 109.469 108.800 -0.040 0.000 2.267 387 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.257 387 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.257 387 G C 0.778 175.629 174.900 -0.082 0.000 0.998 387 G CA 1.155 46.223 45.100 -0.053 0.000 0.620 387 G HN 1.971 nan 8.290 nan 0.000 0.529 388 T N 0.863 115.353 114.554 -0.106 0.000 2.851 388 T HA 0.463 4.812 4.350 -0.000 0.000 0.298 388 T C 0.331 174.918 174.700 -0.189 0.000 0.977 388 T CA 0.278 62.292 62.100 -0.143 0.000 1.126 388 T CB 0.972 69.736 68.868 -0.173 0.000 0.916 388 T HN 0.429 nan 8.240 nan 0.000 0.529 389 E N 2.281 122.359 120.200 -0.205 0.000 2.343 389 E HA 0.562 4.912 4.350 -0.000 0.000 0.269 389 E C -0.760 175.596 176.600 -0.408 0.000 1.047 389 E CA -0.653 55.571 56.400 -0.294 0.000 0.874 389 E CB 0.726 30.303 29.700 -0.206 0.000 1.033 389 E HN 0.714 nan 8.360 nan 0.000 0.409 390 A N 3.430 125.822 122.820 -0.713 0.000 2.454 390 A HA 0.497 4.817 4.320 -0.000 0.000 0.302 390 A C -1.528 175.578 177.584 -0.796 0.000 1.079 390 A CA -0.695 50.847 52.037 -0.825 0.000 0.731 390 A CB 1.856 20.070 19.000 -1.308 0.000 1.299 390 A HN 0.640 nan 8.150 nan 0.000 0.413 391 D N 0.674 120.741 120.400 -0.555 0.000 2.478 391 D HA 0.465 5.105 4.640 -0.000 0.000 0.240 391 D C -1.220 175.050 176.300 -0.049 0.000 1.364 391 D CA -0.288 53.526 54.000 -0.310 0.000 0.987 391 D CB 0.407 41.128 40.800 -0.132 0.000 1.328 391 D HN 0.154 nan 8.370 nan 0.000 0.584 392 F N 2.380 122.405 119.950 0.126 0.000 2.660 392 F HA 0.553 5.080 4.527 -0.000 0.000 0.297 392 F C 1.652 177.518 175.800 0.110 0.000 1.132 392 F CA 0.003 58.077 58.000 0.123 0.000 1.372 392 F CB -0.089 39.007 39.000 0.161 0.000 1.003 392 F HN 0.567 nan 8.300 nan 0.000 0.524 393 G N 0.070 108.993 108.800 0.205 0.000 2.660 393 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.215 393 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.215 393 G C -0.912 174.052 174.900 0.107 0.000 1.345 393 G CA -1.095 44.086 45.100 0.134 0.000 0.877 393 G HN 0.063 nan 8.290 nan 0.000 0.549 394 D N 0.981 121.424 120.400 0.071 0.000 2.443 394 D HA 0.563 5.203 4.640 -0.000 0.000 0.239 394 D C 0.734 177.068 176.300 0.057 0.000 1.136 394 D CA 1.446 55.476 54.000 0.050 0.000 0.879 394 D CB 1.285 42.101 40.800 0.028 0.000 1.195 394 D HN 1.195 nan 8.370 nan 0.000 0.443 395 A N 0.701 123.549 122.820 0.047 0.000 2.498 395 A HA 0.811 5.131 4.320 -0.000 0.000 0.298 395 A C -1.287 176.306 177.584 0.015 0.000 1.075 395 A CA -0.633 51.433 52.037 0.048 0.000 0.714 395 A CB 1.891 20.943 19.000 0.086 0.000 1.299 395 A HN 0.529 nan 8.150 nan 0.000 0.407 396 A N 0.743 123.563 122.820 0.001 0.000 2.359 396 A HA 0.640 4.959 4.320 -0.000 0.000 0.303 396 A C -0.934 176.641 177.584 -0.015 0.000 1.066 396 A CA -0.428 51.603 52.037 -0.011 0.000 0.730 396 A CB 1.176 20.161 19.000 -0.024 0.000 1.211 396 A HN 1.253 nan 8.150 nan 0.000 0.439 397 V N 4.029 123.942 119.914 -0.003 0.000 2.385 397 V HA 0.338 4.458 4.120 -0.000 0.000 0.269 397 V C -0.090 176.023 176.094 0.032 0.000 1.043 397 V CA 0.087 62.394 62.300 0.011 0.000 0.906 397 V CB 0.356 32.187 31.823 0.013 0.000 0.995 397 V HN 0.706 nan 8.190 nan 0.000 0.467 398 L N 5.217 126.458 121.223 0.030 0.000 2.346 398 L HA 0.797 5.137 4.340 -0.000 0.000 0.274 398 L C 0.214 177.250 176.870 0.276 0.000 1.007 398 L CA -0.398 54.506 54.840 0.108 0.000 0.818 398 L CB 2.416 44.410 42.059 -0.108 0.000 1.284 398 L HN 0.736 nan 8.230 nan 0.000 0.424 399 T N -1.431 113.361 114.554 0.396 0.000 2.906 399 T HA 0.644 4.994 4.350 -0.000 0.000 0.295 399 T C -0.892 173.981 174.700 0.288 0.000 1.061 399 T CA -0.817 61.501 62.100 0.364 0.000 1.000 399 T CB 1.964 70.937 68.868 0.175 0.000 1.103 399 T HN 0.754 nan 8.240 nan 0.000 0.486 400 C N 3.246 122.595 119.300 0.081 0.000 2.931 400 C HA 0.574 5.034 4.460 -0.000 0.000 0.370 400 C C 0.047 174.967 174.990 -0.116 0.000 1.071 400 C CA 0.002 58.885 59.018 -0.225 0.000 1.266 400 C CB -0.125 27.108 27.740 -0.844 0.000 1.691 400 C HN 1.174 nan 8.230 nan 0.000 0.511 401 D N 2.842 123.187 120.400 -0.093 0.000 3.584 401 D HA -0.277 4.363 4.640 -0.000 0.000 0.153 401 D C 1.061 177.365 176.300 0.007 0.000 0.949 401 D CA 2.010 55.987 54.000 -0.038 0.000 1.011 401 D CB -1.142 39.634 40.800 -0.041 0.000 0.476 401 D HN 1.281 nan 8.370 nan 0.000 0.460 402 A N 0.228 123.064 122.820 0.026 0.000 2.345 402 A HA 0.433 4.753 4.320 -0.000 0.000 0.225 402 A C 0.543 178.167 177.584 0.067 0.000 1.243 402 A CA 0.006 52.070 52.037 0.044 0.000 0.875 402 A CB 0.356 19.382 19.000 0.042 0.000 0.929 402 A HN 0.172 nan 8.150 nan 0.000 0.502 403 V N 0.867 120.836 119.914 0.091 0.000 2.481 403 V HA 0.366 4.486 4.120 -0.000 0.000 0.286 403 V C 0.111 176.332 176.094 0.212 0.000 1.042 403 V CA -0.112 62.275 62.300 0.144 0.000 0.928 403 V CB 1.540 33.465 31.823 0.170 0.000 0.986 403 V HN 0.316 nan 8.190 nan 0.000 0.462 404 T N 4.268 118.933 114.554 0.185 0.000 2.779 404 T HA 0.546 4.896 4.350 -0.000 0.000 0.280 404 T C -0.474 174.324 174.700 0.163 0.000 0.987 404 T CA -0.336 61.877 62.100 0.188 0.000 0.966 404 T CB 1.475 70.425 68.868 0.137 0.000 0.933 404 T HN 0.338 nan 8.240 nan 0.000 0.442 405 V N 4.860 124.828 119.914 0.090 0.000 2.409 405 V HA 0.435 4.555 4.120 -0.000 0.000 0.291 405 V C -0.450 175.614 176.094 -0.051 0.000 1.020 405 V CA -0.845 61.425 62.300 -0.049 0.000 0.848 405 V CB 1.255 32.878 31.823 -0.334 0.000 0.990 405 V HN 0.762 nan 8.190 nan 0.000 0.430 406 I N 6.337 126.933 120.570 0.043 0.000 2.291 406 I HA 0.298 4.468 4.170 -0.000 0.000 0.290 406 I C 0.208 176.347 176.117 0.038 0.000 1.050 406 I CA -0.188 61.151 61.300 0.065 0.000 1.245 406 I CB 1.403 39.509 38.000 0.176 0.000 1.405 406 I HN 0.496 nan 8.210 nan 0.000 0.478 407 V N 2.943 122.836 119.914 -0.035 0.000 2.546 407 V HA 0.828 4.948 4.120 -0.000 0.000 0.284 407 V C 0.360 176.459 176.094 0.007 0.000 1.050 407 V CA -0.223 62.045 62.300 -0.053 0.000 0.981 407 V CB 0.963 32.708 31.823 -0.132 0.000 0.990 407 V HN 0.822 nan 8.190 nan 0.000 0.474 408 T N 0.905 115.469 114.554 0.016 0.000 2.907 408 T HA 0.627 4.977 4.350 -0.000 0.000 0.292 408 T C 0.022 174.711 174.700 -0.018 0.000 1.043 408 T CA -0.489 61.655 62.100 0.073 0.000 1.003 408 T CB 1.699 70.682 68.868 0.192 0.000 1.084 408 T HN 0.789 nan 8.240 nan 0.000 0.483 412 P HA 0.148 nan 4.420 nan 0.000 0.241 412 P C -0.450 176.223 177.300 -1.045 0.000 1.780 412 P CA -0.065 62.425 63.100 -1.016 0.000 1.111 412 P CB 0.050 31.453 31.700 -0.495 0.000 1.852 413 N N 2.813 120.680 118.700 -1.388 0.000 3.127 413 N HA 0.032 4.772 4.740 -0.000 0.000 0.317 413 N C -0.445 174.959 175.510 -0.176 0.000 1.242 413 N CA 0.020 52.778 53.050 -0.488 0.000 1.203 413 N CB -0.591 37.843 38.487 -0.088 0.000 1.462 413 N HN 0.010 nan 8.380 nan 0.000 0.546 414 V N 3.291 123.027 119.914 -0.297 0.000 2.387 414 V HA 0.070 4.190 4.120 -0.000 0.000 0.260 414 V C 0.462 176.621 176.094 0.108 0.000 1.054 414 V CA -0.204 61.990 62.300 -0.177 0.000 0.967 414 V CB -0.119 31.388 31.823 -0.526 0.000 1.036 414 V HN 0.626 nan 8.190 nan 0.000 0.481 415 H N 0.366 119.639 119.070 0.338 0.000 2.750 415 H HA 0.543 5.099 4.556 -0.000 0.000 0.252 415 H C -0.263 175.435 175.328 0.616 0.000 1.176 415 H CA -0.629 55.706 56.048 0.478 0.000 0.987 415 H CB 0.402 30.445 29.762 0.467 0.000 1.810 415 H HN 0.527 nan 8.280 nan 0.000 0.630 416 D N 0.810 121.481 120.400 0.450 0.000 2.859 416 D HA 0.106 4.746 4.640 -0.000 0.000 0.223 416 D C -2.133 174.183 176.300 0.026 0.000 1.218 416 D CA -1.894 52.228 54.000 0.203 0.000 0.850 416 D CB 2.966 43.872 40.800 0.177 0.000 1.656 416 D HN -0.029 nan 8.370 nan 0.000 0.484 417 P HA -0.035 nan 4.420 nan 0.000 0.221 417 P C 1.129 178.424 177.300 -0.008 0.000 1.150 417 P CA 0.611 63.571 63.100 -0.234 0.000 0.800 417 P CB 0.162 31.579 31.700 -0.471 0.000 0.787 418 A N -0.100 122.689 122.820 -0.052 0.000 1.986 418 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 418 A C 2.059 179.422 177.584 -0.368 0.000 1.171 418 A CA 1.416 53.410 52.037 -0.070 0.000 0.640 418 A CB -1.882 17.196 19.000 0.130 0.000 0.811 418 A HN 0.183 nan 8.150 nan 0.000 0.451 419 F N -0.456 118.980 119.950 -0.857 0.000 2.095 419 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 419 F C 2.036 177.461 175.800 -0.625 0.000 1.104 419 F CA 1.937 59.147 58.000 -1.317 0.000 1.232 419 F CB -0.549 37.815 39.000 -1.061 0.000 0.987 419 F HN 0.299 nan 8.300 nan 0.000 0.475 420 Y N 0.904 121.005 120.300 -0.332 0.000 2.200 420 Y HA -0.161 4.389 4.550 -0.000 0.000 0.290 420 Y C 2.547 178.270 175.900 -0.295 0.000 1.137 420 Y CA 1.663 59.582 58.100 -0.302 0.000 1.163 420 Y CB -0.703 37.766 38.460 0.015 0.000 0.988 420 Y HN 0.081 nan 8.280 nan 0.000 0.518 421 E N -0.169 119.984 120.200 -0.079 0.000 2.072 421 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 421 E C 2.443 178.956 176.600 -0.146 0.000 0.985 421 E CA 1.058 57.410 56.400 -0.081 0.000 0.801 421 E CB -0.609 29.065 29.700 -0.043 0.000 0.750 421 E HN 0.431 nan 8.360 nan 0.000 0.452 422 A N 1.326 124.005 122.820 -0.234 0.000 1.933 422 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 422 A C 2.348 179.797 177.584 -0.226 0.000 1.175 422 A CA 1.812 53.734 52.037 -0.192 0.000 0.628 422 A CB -0.569 18.346 19.000 -0.141 0.000 0.814 422 A HN 0.205 nan 8.150 nan 0.000 0.444 423 V N -3.470 116.212 119.914 -0.386 0.000 3.646 423 V HA 0.512 4.632 4.120 -0.000 0.000 0.277 423 V C 1.162 177.149 176.094 -0.179 0.000 1.274 423 V CA 0.550 62.666 62.300 -0.306 0.000 1.164 423 V CB -1.014 30.525 31.823 -0.473 0.000 0.926 423 V HN 1.573 nan 8.190 nan 0.000 0.442 424 G N 0.164 108.881 108.800 -0.138 0.000 2.182 424 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.248 424 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.248 424 G C -0.060 174.820 174.900 -0.035 0.000 1.042 424 G CA 0.096 45.156 45.100 -0.066 0.000 0.775 424 G HN 1.079 nan 8.290 nan 0.000 0.501 425 V N 1.733 121.633 119.914 -0.023 0.000 2.235 425 V HA 0.331 4.450 4.120 -0.000 0.000 0.266 425 V C -1.738 174.390 176.094 0.056 0.000 1.055 425 V CA -1.564 60.762 62.300 0.044 0.000 0.844 425 V CB 1.305 33.201 31.823 0.121 0.000 1.097 425 V HN 0.204 nan 8.190 nan 0.000 0.453 426 P HA 0.174 nan 4.420 nan 0.000 0.268 426 P C 1.234 178.542 177.300 0.013 0.000 1.205 426 P CA 0.003 63.116 63.100 0.021 0.000 0.771 426 P CB 1.116 32.822 31.700 0.009 0.000 0.858 427 L N 2.239 123.473 121.223 0.017 0.000 2.042 427 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 427 L C 2.363 179.229 176.870 -0.007 0.000 1.076 427 L CA 2.160 56.997 54.840 -0.006 0.000 0.749 427 L CB -1.074 41.006 42.059 0.035 0.000 0.893 427 L HN 0.416 nan 8.230 nan 0.000 0.432 428 A N 0.013 122.836 122.820 0.005 0.000 2.076 428 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 428 A C 2.430 180.014 177.584 0.000 0.000 1.160 428 A CA 1.788 53.827 52.037 0.004 0.000 0.653 428 A CB -0.526 18.478 19.000 0.007 0.000 0.801 428 A HN 0.551 nan 8.150 nan 0.000 0.455 429 S N -1.429 114.270 115.700 -0.001 0.000 2.562 429 S HA 0.069 4.539 4.470 -0.000 0.000 0.221 429 S C 0.712 175.309 174.600 -0.006 0.000 0.975 429 S CA 0.006 58.206 58.200 0.001 0.000 0.918 429 S CB -0.032 63.172 63.200 0.007 0.000 0.772 429 S HN 0.485 nan 8.310 nan 0.000 0.531 430 Q N 0.578 120.364 119.800 -0.023 0.000 2.297 430 Q HA 0.442 4.782 4.340 -0.000 0.000 0.268 430 Q C 0.239 176.217 176.000 -0.036 0.000 1.045 430 Q CA -0.450 55.331 55.803 -0.036 0.000 0.861 430 Q CB 1.470 30.159 28.738 -0.082 0.000 1.344 430 Q HN 0.416 nan 8.270 nan 0.000 0.452 431 Q N -0.473 119.304 119.800 -0.037 0.000 2.391 431 Q HA 0.405 4.745 4.340 -0.000 0.000 0.211 431 Q C -0.287 175.674 176.000 -0.063 0.000 0.908 431 Q CA 0.336 56.115 55.803 -0.040 0.000 0.920 431 Q CB 0.986 29.705 28.738 -0.032 0.000 1.056 431 Q HN 0.558 nan 8.270 nan 0.000 0.523 432 A N 0.497 123.266 122.820 -0.085 0.000 2.547 432 A HA 0.628 4.948 4.320 -0.000 0.000 0.297 432 A C -0.983 176.513 177.584 -0.147 0.000 1.056 432 A CA -0.709 51.261 52.037 -0.112 0.000 0.688 432 A CB 1.516 20.445 19.000 -0.117 0.000 1.282 432 A HN 0.056 nan 8.150 nan 0.000 0.400 433 V N -0.902 118.890 119.914 -0.204 0.000 3.102 433 V HA 0.935 5.055 4.120 -0.000 0.000 0.312 433 V C -0.712 175.265 176.094 -0.194 0.000 1.135 433 V CA -0.867 61.265 62.300 -0.280 0.000 1.022 433 V CB 1.561 32.978 31.823 -0.676 0.000 1.056 433 V HN 0.879 nan 8.190 nan 0.000 0.436 434 V N 1.707 121.595 119.914 -0.044 0.000 2.483 434 V HA 0.863 4.983 4.120 -0.000 0.000 0.295 434 V C 0.523 176.573 176.094 -0.074 0.000 1.035 434 V CA 0.185 62.437 62.300 -0.081 0.000 0.896 434 V CB 1.431 33.232 31.823 -0.036 0.000 0.986 434 V HN 1.421 nan 8.190 nan 0.000 0.447 435 A N 4.976 127.600 122.820 -0.327 0.000 2.330 435 A HA 0.676 4.996 4.320 -0.000 0.000 0.327 435 A C 0.182 177.585 177.584 -0.302 0.000 1.155 435 A CA -0.735 51.104 52.037 -0.331 0.000 0.803 435 A CB 0.846 19.429 19.000 -0.696 0.000 1.208 435 A HN 0.781 nan 8.150 nan 0.000 0.477 436 R N 1.221 121.628 120.500 -0.154 0.000 4.231 436 R HA 0.491 4.831 4.340 -0.000 0.000 0.250 436 R C -0.300 175.976 176.300 -0.040 0.000 1.600 436 R CA 0.298 56.322 56.100 -0.126 0.000 1.523 436 R CB -0.009 30.202 30.300 -0.147 0.000 1.422 436 R HN 0.796 nan 8.270 nan 0.000 0.759 437 A N -0.664 122.125 122.820 -0.053 0.000 2.601 437 A HA 0.648 4.968 4.320 -0.000 0.000 0.291 437 A C -0.497 177.158 177.584 0.118 0.000 1.075 437 A CA -0.251 51.849 52.037 0.104 0.000 0.671 437 A CB 1.028 20.197 19.000 0.281 0.000 1.277 437 A HN 0.291 nan 8.150 nan 0.000 0.417 438 A N -0.197 122.762 122.820 0.231 0.000 2.013 438 A HA 0.286 4.606 4.320 -0.000 0.000 0.204 438 A C 1.177 178.956 177.584 0.325 0.000 1.262 438 A CA 1.173 53.372 52.037 0.269 0.000 0.800 438 A CB 0.019 19.126 19.000 0.178 0.000 0.909 438 A HN 0.648 nan 8.150 nan 0.000 0.472 439 N N -1.284 117.522 118.700 0.177 0.000 2.503 439 N HA 0.069 4.809 4.740 -0.000 0.000 0.210 439 N C 1.006 176.379 175.510 -0.228 0.000 1.077 439 N CA 0.688 53.693 53.050 -0.076 0.000 0.855 439 N CB -0.203 38.155 38.487 -0.215 0.000 1.323 439 N HN 0.559 nan 8.380 nan 0.000 0.452 440 H N -0.283 118.776 119.070 -0.018 0.000 2.547 440 H HA 0.003 4.558 4.556 -0.000 0.000 0.272 440 H C 1.215 176.589 175.328 0.077 0.000 0.989 440 H CA 0.847 56.790 56.048 -0.175 0.000 1.214 440 H CB -0.025 29.375 29.762 -0.604 0.000 1.389 440 H HN 0.400 nan 8.280 nan 0.000 0.577 441 Y N -0.224 120.197 120.300 0.201 0.000 2.517 441 Y HA 0.233 4.783 4.550 -0.000 0.000 0.281 441 Y C 1.606 177.714 175.900 0.345 0.000 1.125 441 Y CA -0.221 58.101 58.100 0.370 0.000 1.283 441 Y CB -0.044 38.624 38.460 0.347 0.000 1.042 441 Y HN -0.140 nan 8.280 nan 0.000 0.547 442 K N 0.322 120.355 120.400 -0.610 0.000 2.002 442 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 442 K C 1.837 178.361 176.600 -0.128 0.000 1.048 442 K CA 1.582 57.533 56.287 -0.560 0.000 0.930 442 K CB -0.388 31.814 32.500 -0.496 0.000 0.714 442 K HN 0.240 nan 8.250 nan 0.000 0.438 443 L N 1.353 122.538 121.223 -0.064 0.000 2.083 443 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 443 L C 2.098 179.011 176.870 0.073 0.000 1.083 443 L CA 1.678 56.519 54.840 0.001 0.000 0.752 443 L CB -0.601 41.462 42.059 0.008 0.000 0.899 443 L HN 0.048 nan 8.230 nan 0.000 0.433 444 S N -1.338 114.454 115.700 0.154 0.000 2.419 444 S HA -0.092 4.378 4.470 -0.000 0.000 0.233 444 S C 1.469 176.075 174.600 0.010 0.000 1.016 444 S CA 1.105 59.382 58.200 0.128 0.000 0.974 444 S CB -0.305 63.040 63.200 0.243 0.000 0.786 444 S HN 0.376 nan 8.310 nan 0.000 0.492 445 F N 0.527 120.533 119.950 0.094 0.000 2.678 445 F HA 0.439 4.966 4.527 -0.000 0.000 0.305 445 F C 1.990 177.812 175.800 0.037 0.000 1.090 445 F CA -0.211 57.846 58.000 0.095 0.000 1.272 445 F CB -0.229 38.868 39.000 0.162 0.000 1.060 445 F HN 0.104 nan 8.300 nan 0.000 0.576 446 A N 0.041 122.946 122.820 0.143 0.000 1.940 446 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 446 A C 1.898 179.515 177.584 0.055 0.000 1.176 446 A CA 2.203 54.279 52.037 0.065 0.000 0.631 446 A CB -0.494 18.509 19.000 0.005 0.000 0.814 446 A HN 0.215 nan 8.150 nan 0.000 0.446 447 D N -0.529 119.900 120.400 0.048 0.000 2.277 447 D HA -0.015 4.625 4.640 -0.000 0.000 0.208 447 D C 1.574 177.901 176.300 0.044 0.000 0.962 447 D CA 1.490 55.508 54.000 0.030 0.000 0.865 447 D CB -0.061 40.747 40.800 0.013 0.000 0.939 447 D HN 0.767 nan 8.370 nan 0.000 0.510 448 I N -3.767 116.849 120.570 0.076 0.000 4.240 448 I HA 0.523 4.693 4.170 -0.000 0.000 0.331 448 I C 0.253 176.443 176.117 0.121 0.000 1.381 448 I CA -0.456 60.894 61.300 0.084 0.000 1.136 448 I CB 0.864 38.908 38.000 0.073 0.000 1.137 448 I HN -0.209 nan 8.210 nan 0.000 0.411 449 A N 1.185 124.094 122.820 0.148 0.000 2.594 449 A HA 0.662 4.982 4.320 -0.000 0.000 0.295 449 A C -0.884 176.755 177.584 0.092 0.000 1.071 449 A CA -0.750 51.367 52.037 0.134 0.000 0.685 449 A CB 1.300 20.423 19.000 0.205 0.000 1.285 449 A HN 0.257 nan 8.150 nan 0.000 0.405 450 R N 0.947 121.480 120.500 0.056 0.000 2.347 450 R HA 0.438 4.778 4.340 -0.000 0.000 0.304 450 R C -0.247 176.080 176.300 0.045 0.000 1.072 450 R CA 0.694 56.817 56.100 0.039 0.000 0.980 450 R CB 0.360 30.674 30.300 0.024 0.000 0.986 450 R HN 0.816 nan 8.270 nan 0.000 0.448 451 T N 3.174 117.755 114.554 0.044 0.000 2.756 451 T HA 0.491 4.841 4.350 -0.000 0.000 0.290 451 T C 0.121 174.876 174.700 0.091 0.000 0.985 451 T CA -0.745 61.402 62.100 0.078 0.000 0.955 451 T CB 0.531 69.368 68.868 -0.053 0.000 0.930 451 T HN 0.436 nan 8.240 nan 0.000 0.451 452 I N 2.932 123.579 120.570 0.128 0.000 2.447 452 I HA 0.278 4.448 4.170 -0.000 0.000 0.287 452 I C 0.080 176.281 176.117 0.141 0.000 1.023 452 I CA -0.891 60.472 61.300 0.106 0.000 1.083 452 I CB 2.281 40.311 38.000 0.049 0.000 1.245 452 I HN 0.579 nan 8.210 nan 0.000 0.434 453 T N 6.109 120.761 114.554 0.163 0.000 2.749 453 T HA 0.359 4.709 4.350 -0.000 0.000 0.295 453 T C 0.105 174.845 174.700 0.067 0.000 0.936 453 T CA -0.448 61.730 62.100 0.130 0.000 1.060 453 T CB 0.812 69.789 68.868 0.182 0.000 0.904 453 T HN 0.411 nan 8.240 nan 0.000 0.500 454 V N 0.796 120.722 119.914 0.021 0.000 2.732 454 V HA 0.569 4.689 4.120 -0.000 0.000 0.310 454 V C 0.073 176.173 176.094 0.010 0.000 1.053 454 V CA -1.178 61.130 62.300 0.013 0.000 0.957 454 V CB 1.726 33.543 31.823 -0.010 0.000 1.018 454 V HN 0.618 nan 8.190 nan 0.000 0.452 455 D N 3.093 123.506 120.400 0.023 0.000 2.558 455 D HA 0.298 4.938 4.640 -0.000 0.000 0.221 455 D C 0.529 176.836 176.300 0.011 0.000 1.143 455 D CA 0.122 54.138 54.000 0.027 0.000 1.010 455 D CB -0.225 40.602 40.800 0.045 0.000 1.068 455 D HN 1.002 nan 8.370 nan 0.000 0.511 456 T N 0.643 115.190 114.554 -0.011 0.000 2.944 456 T HA 0.693 5.043 4.350 -0.000 0.000 0.284 456 T C -2.382 172.300 174.700 -0.030 0.000 1.010 456 T CA -1.734 60.354 62.100 -0.022 0.000 1.025 456 T CB 1.771 70.617 68.868 -0.038 0.000 1.079 456 T HN 0.080 nan 8.240 nan 0.000 0.516 457 P HA 0.720 nan 4.420 nan 0.000 0.281 457 P C 0.246 177.506 177.300 -0.066 0.000 1.264 457 P CA -0.057 63.013 63.100 -0.049 0.000 0.824 457 P CB 1.242 32.914 31.700 -0.046 0.000 1.092 458 G N -0.598 108.150 108.800 -0.086 0.000 2.320 458 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.274 458 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.274 458 G C -0.026 174.818 174.900 -0.094 0.000 1.324 458 G CA -0.594 44.449 45.100 -0.095 0.000 0.957 458 G HN 0.386 nan 8.290 nan 0.000 0.481 459 L N 0.981 122.150 121.223 -0.091 0.000 2.610 459 L HA 0.168 4.508 4.340 -0.000 0.000 0.232 459 L C 2.377 179.196 176.870 -0.085 0.000 1.149 459 L CA 1.757 56.589 54.840 -0.014 0.000 0.872 459 L CB -0.133 41.825 42.059 -0.169 0.000 0.992 459 L HN 0.783 nan 8.230 nan 0.000 0.447 460 T N -4.334 110.097 114.554 -0.205 0.000 3.145 460 T HA 0.400 4.750 4.350 -0.000 0.000 0.281 460 T C 0.651 175.283 174.700 -0.112 0.000 1.003 460 T CA -0.075 61.779 62.100 -0.410 0.000 0.901 460 T CB 0.259 68.958 68.868 -0.282 0.000 1.112 460 T HN 0.087 nan 8.240 nan 0.000 0.535 461 A N 1.375 124.195 122.820 0.001 0.000 2.531 461 A HA 0.481 4.801 4.320 -0.000 0.000 0.236 461 A C -0.033 177.733 177.584 0.304 0.000 1.062 461 A CA -0.176 51.886 52.037 0.041 0.000 0.760 461 A CB -0.482 18.537 19.000 0.032 0.000 0.995 461 A HN 0.433 nan 8.150 nan 0.000 0.501 462 F N 1.692 121.830 119.950 0.312 0.000 2.659 462 F HA 0.224 4.751 4.527 -0.000 0.000 0.360 462 F C 0.858 176.798 175.800 0.234 0.000 1.218 462 F CA 0.359 58.531 58.000 0.286 0.000 1.317 462 F CB -0.270 38.843 39.000 0.188 0.000 1.697 462 F HN 0.437 nan 8.300 nan 0.000 0.637 463 K N 1.660 122.332 120.400 0.454 0.000 2.827 463 K HA 0.221 4.541 4.320 -0.000 0.000 0.186 463 K C -2.118 174.630 176.600 0.247 0.000 1.093 463 K CA -1.426 54.970 56.287 0.182 0.000 0.993 463 K CB 1.541 33.974 32.500 -0.111 0.000 1.199 463 K HN 0.000 nan 8.250 nan 0.000 0.598 464 P HA -0.247 nan 4.420 nan 0.000 0.216 464 P C 1.064 178.669 177.300 0.509 0.000 1.150 464 P CA 1.311 64.794 63.100 0.639 0.000 0.843 464 P CB -0.041 31.927 31.700 0.447 0.000 0.787 465 H N 0.347 119.567 119.070 0.251 0.000 2.543 465 H HA -0.129 4.427 4.556 -0.000 0.000 0.286 465 H C 1.552 176.902 175.328 0.037 0.000 1.037 465 H CA 1.242 57.363 56.048 0.122 0.000 1.250 465 H CB -0.709 29.075 29.762 0.037 0.000 1.373 465 H HN 0.340 nan 8.280 nan 0.000 0.580 466 Q N 0.237 119.781 119.800 -0.427 0.000 2.432 466 Q HA 0.092 4.432 4.340 -0.000 0.000 0.205 466 Q C -0.492 175.130 176.000 -0.630 0.000 0.945 466 Q CA -0.006 55.464 55.803 -0.554 0.000 0.924 466 Q CB 0.108 28.376 28.738 -0.784 0.000 1.016 466 Q HN 0.271 nan 8.270 nan 0.000 0.503 467 F N 2.277 122.084 119.950 -0.238 0.000 2.450 467 F HA 0.418 4.944 4.527 -0.000 0.000 0.332 467 F C -2.038 173.470 175.800 -0.486 0.000 1.093 467 F CA -3.200 54.395 58.000 -0.675 0.000 1.003 467 F CB 1.335 39.518 39.000 -1.362 0.000 1.151 467 F HN -0.073 nan 8.300 nan 0.000 0.474 468 P HA 0.064 nan 4.420 nan 0.000 0.226 468 P C -0.671 176.713 177.300 0.140 0.000 1.783 468 P CA 0.045 63.130 63.100 -0.026 0.000 0.980 468 P CB -0.732 30.985 31.700 0.027 0.000 1.967 469 F N 1.370 121.485 119.950 0.275 0.000 2.572 469 F HA 0.049 4.576 4.527 -0.000 0.000 0.370 469 F C 2.141 178.082 175.800 0.234 0.000 1.103 469 F CA 0.831 59.055 58.000 0.374 0.000 1.286 469 F CB 0.549 39.821 39.000 0.454 0.000 1.105 469 F HN 0.177 nan 8.300 nan 0.000 0.583 470 T N -1.343 113.430 114.554 0.364 0.000 3.393 470 T HA 0.004 4.354 4.350 -0.000 0.000 0.231 470 T C 1.325 176.140 174.700 0.193 0.000 0.983 470 T CA 0.152 62.385 62.100 0.222 0.000 1.272 470 T CB -0.371 68.587 68.868 0.151 0.000 1.214 470 T HN 0.574 nan 8.240 nan 0.000 0.368 471 Q N 1.576 121.462 119.800 0.143 0.000 2.472 471 Q HA 0.392 4.732 4.340 -0.000 0.000 0.208 471 Q C 2.151 178.216 176.000 0.108 0.000 0.958 471 Q CA 0.804 56.665 55.803 0.096 0.000 0.932 471 Q CB -0.398 28.363 28.738 0.038 0.000 1.007 471 Q HN 0.598 nan 8.270 nan 0.000 0.508 472 A N 1.465 124.389 122.820 0.174 0.000 1.968 472 A HA -0.000 4.320 4.320 -0.000 0.000 0.217 472 A C 1.043 178.851 177.584 0.373 0.000 1.169 472 A CA 0.166 52.311 52.037 0.180 0.000 0.638 472 A CB -0.077 19.027 19.000 0.174 0.000 0.812 472 A HN 0.229 nan 8.150 nan 0.000 0.446 473 R N 0.520 121.222 120.500 0.338 0.000 2.582 473 R HA 0.341 4.681 4.340 -0.000 0.000 0.271 473 R C -2.481 173.926 176.300 0.179 0.000 1.078 473 R CA -1.519 54.723 56.100 0.237 0.000 1.127 473 R CB -0.026 30.338 30.300 0.106 0.000 1.038 473 R HN 0.230 nan 8.270 nan 0.000 0.500 474 P HA 0.186 nan 4.420 nan 0.000 0.285 474 P C -1.214 176.221 177.300 0.225 0.000 1.259 474 P CA -0.190 62.976 63.100 0.110 0.000 0.794 474 P CB 0.533 32.290 31.700 0.095 0.000 0.940 475 F N 0.562 120.564 119.950 0.086 0.000 2.631 475 F HA 0.547 5.074 4.527 -0.000 0.000 0.308 475 F C -1.480 174.402 175.800 0.136 0.000 1.097 475 F CA -1.834 56.227 58.000 0.102 0.000 0.952 475 F CB 0.859 39.863 39.000 0.007 0.000 1.307 475 F HN 0.182 nan 8.300 nan 0.000 0.450 476 Y N 4.773 125.256 120.300 0.304 0.000 2.319 476 Y HA 0.424 4.974 4.550 -0.000 0.000 0.328 476 Y C -1.802 174.267 175.900 0.282 0.000 1.133 476 Y CA -1.955 56.267 58.100 0.203 0.000 1.265 476 Y CB 1.599 40.206 38.460 0.244 0.000 1.218 476 Y HN 0.464 nan 8.280 nan 0.000 0.508 477 P HA -0.024 nan 4.420 nan 0.000 0.245 477 P C 1.092 178.067 177.300 -0.542 0.000 1.203 477 P CA 0.869 63.329 63.100 -1.066 0.000 0.792 477 P CB 0.445 31.750 31.700 -0.659 0.000 0.997 478 L N -0.529 120.445 121.223 -0.415 0.000 2.093 478 L HA 0.014 4.354 4.340 -0.000 0.000 0.208 478 L C 0.702 177.442 176.870 -0.216 0.000 1.085 478 L CA 1.259 55.905 54.840 -0.324 0.000 0.755 478 L CB -0.556 41.209 42.059 -0.490 0.000 0.904 478 L HN -0.037 nan 8.230 nan 0.000 0.435 479 D N 0.302 120.593 120.400 -0.181 0.000 2.505 479 D HA 0.306 4.946 4.640 -0.000 0.000 0.249 479 D C -0.310 176.080 176.300 0.149 0.000 1.082 479 D CA -0.480 53.507 54.000 -0.021 0.000 0.839 479 D CB 2.957 43.743 40.800 -0.024 0.000 1.317 479 D HN -0.137 nan 8.370 nan 0.000 0.497 480 I N 2.988 123.657 120.570 0.166 0.000 2.260 480 I HA 0.055 4.225 4.170 -0.000 0.000 0.297 480 I C 0.565 176.821 176.117 0.232 0.000 1.143 480 I CA -0.319 61.133 61.300 0.255 0.000 1.271 480 I CB -0.032 38.074 38.000 0.178 0.000 1.461 480 I HN 0.099 nan 8.210 nan 0.000 0.530 481 V N 5.296 125.398 119.914 0.313 0.000 2.630 481 V HA 0.490 4.610 4.120 -0.000 0.000 0.305 481 V C 0.138 176.406 176.094 0.290 0.000 1.046 481 V CA -0.746 61.711 62.300 0.262 0.000 0.934 481 V CB 2.201 34.184 31.823 0.267 0.000 1.003 481 V HN 0.591 nan 8.190 nan 0.000 0.451 482 Q N 3.683 123.590 119.800 0.178 0.000 2.963 482 Q HA 0.192 4.532 4.340 -0.000 0.000 0.262 482 Q C -0.758 175.252 176.000 0.016 0.000 1.318 482 Q CA -0.047 55.837 55.803 0.136 0.000 1.089 482 Q CB 0.740 29.523 28.738 0.074 0.000 1.424 482 Q HN 0.901 nan 8.270 nan 0.000 0.560 483 W N 2.611 123.702 121.300 -0.348 0.000 2.190 483 W HA 0.172 4.832 4.660 -0.000 0.000 0.330 483 W C -0.077 176.145 176.519 -0.496 0.000 1.299 483 W CA 0.300 57.299 57.345 -0.578 0.000 1.215 483 W CB 0.767 29.518 29.460 -1.182 0.000 1.147 483 W HN 0.332 nan 8.180 nan 0.000 0.563 484 S N 5.079 119.858 115.700 -1.534 0.000 2.579 484 S HA 0.445 4.915 4.470 -0.000 0.000 0.272 484 S C -0.998 172.459 174.600 -1.905 0.000 1.141 484 S CA -1.112 56.062 58.200 -1.709 0.000 0.843 484 S CB 1.078 63.857 63.200 -0.702 0.000 1.122 484 S HN 0.556 nan 8.310 nan 0.000 0.468 485 F N 2.152 121.168 119.950 -1.557 0.000 2.580 485 F HA 0.359 4.886 4.527 -0.000 0.000 0.398 485 F C 0.466 176.037 175.800 -0.383 0.000 1.023 485 F CA 0.382 57.981 58.000 -0.669 0.000 1.188 485 F CB -0.238 38.593 39.000 -0.281 0.000 1.005 485 F HN 0.916 nan 8.300 nan 0.000 0.546 486 A N 8.347 130.743 122.820 -0.707 0.000 3.005 486 A HA 0.456 4.776 4.320 -0.000 0.000 0.308 486 A C -2.697 174.597 177.584 -0.483 0.000 1.173 486 A CA -0.995 50.712 52.037 -0.550 0.000 0.796 486 A CB -0.166 18.643 19.000 -0.319 0.000 1.325 486 A HN 0.504 nan 8.150 nan 0.000 0.467 487 P HA 0.522 nan 4.420 nan 0.000 0.276 487 P C -0.447 176.766 177.300 -0.145 0.000 1.244 487 P CA -0.282 62.593 63.100 -0.375 0.000 0.801 487 P CB 1.038 32.471 31.700 -0.445 0.000 1.006 488 L N 0.784 122.017 121.223 0.017 0.000 2.325 488 L HA 0.440 4.780 4.340 -0.000 0.000 0.279 488 L C 0.812 177.669 176.870 -0.022 0.000 1.054 488 L CA -0.495 54.339 54.840 -0.011 0.000 0.804 488 L CB 0.893 42.932 42.059 -0.032 0.000 1.200 488 L HN 0.466 nan 8.230 nan 0.000 0.436 489 E N 1.738 121.910 120.200 -0.048 0.000 2.199 489 E HA 0.433 4.783 4.350 -0.000 0.000 0.269 489 E C -1.844 174.730 176.600 -0.043 0.000 0.899 489 E CA -0.582 55.793 56.400 -0.042 0.000 0.772 489 E CB 2.306 31.983 29.700 -0.038 0.000 1.155 489 E HN 0.609 nan 8.360 nan 0.000 0.408 490 C N 4.709 123.987 119.300 -0.036 0.000 2.535 490 C HA 0.420 4.880 4.460 -0.000 0.000 0.319 490 C C -0.727 174.262 174.990 -0.002 0.000 1.171 490 C CA -0.405 58.596 59.018 -0.028 0.000 1.394 490 C CB 0.073 27.789 27.740 -0.040 0.000 1.990 490 C HN 1.022 nan 8.230 nan 0.000 0.466 491 N N 2.454 121.156 118.700 0.003 0.000 2.758 491 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 491 N C -0.314 175.206 175.510 0.016 0.000 1.076 491 N CA 0.811 53.870 53.050 0.017 0.000 0.696 491 N CB -0.682 37.828 38.487 0.039 0.000 0.979 491 N HN 0.871 nan 8.380 nan 0.000 0.550 492 K N 0.704 121.107 120.400 0.005 0.000 2.489 492 K HA 0.212 4.532 4.320 -0.000 0.000 0.278 492 K C 0.217 176.822 176.600 0.009 0.000 1.000 492 K CA 0.119 56.409 56.287 0.005 0.000 1.012 492 K CB 0.635 33.133 32.500 -0.004 0.000 0.903 492 K HN 0.044 nan 8.250 nan 0.000 0.485 493 V N 0.000 119.922 119.914 0.013 0.000 2.409 493 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 493 V CA 0.000 62.309 62.300 0.015 0.000 1.235 493 V CB 0.000 31.836 31.823 0.022 0.000 1.184 493 V HN 0.000 nan 8.190 nan 0.000 0.556