============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. PHE 23 1.000 -17.319 -17.832 -26.938 -99.200 -91.000 PHE 28 1.000 -1.662 -19.584 -26.781 -99.200 -91.000 PHE 38 1.000 13.483 -23.362 -18.794 -99.200 -91.000 TYR 44 0.840 -5.249 -28.293 -26.891 -99.200 -91.000 PHE 53 1.000 -12.826 -23.957 -23.618 -99.200 -91.000 TYR 56 0.840 -10.194 -13.789 -17.614 -99.200 -91.000 PHE 69 1.000 22.014 -11.027 -5.663 -99.200 -91.000 PHE 87 1.000 -1.458 -13.533 -5.340 -99.200 -91.000 TRP 119 1.040 -4.222 -6.660 -22.418 -99.200 -91.000 TRP6 119 1.020 -3.432 -4.422 -22.408 -99.200 -91.000 PHE 121 1.000 0.459 -11.160 -19.377 -99.200 -91.000 PHE 125 1.000 8.980 -7.865 -21.520 -99.200 -91.000 PHE 133 1.000 -3.254 -6.095 -17.313 -99.200 -91.000 HIS 151 0.900 -9.573 -7.099 -24.416 -99.200 -91.000 TYR 156 0.840 3.366 -12.225 -22.139 -99.200 -91.000 TRP 161 1.040 8.539 -21.122 -14.912 -99.200 -91.000 TRP6 161 1.020 8.593 -19.494 -13.204 -99.200 -91.000 PHE 163 1.000 10.084 -13.028 -22.309 -99.200 -91.000 TRP 188 1.040 -6.469 -20.318 -31.047 -99.200 -91.000 TRP6 188 1.020 -8.317 -18.914 -30.583 -99.200 -91.000 PHE 196 1.000 -14.003 -17.728 -30.725 -99.200 -91.000 PHE 206 1.000 -5.539 -3.225 -26.520 -99.200 -91.000 HIS 218 0.900 4.444 -10.133 -31.125 -99.200 -91.000 TRP 221 1.040 8.654 -13.018 -34.487 -99.200 -91.000 TRP6 221 1.020 9.609 -13.488 -32.374 -99.200 -91.000 TYR 228 0.840 -0.537 -18.495 -39.407 -99.200 -91.000 PHE 234 1.000 1.424 -7.024 -36.420 -99.200 -91.000 TYR 254 0.840 21.811 -8.786 -15.262 -99.200 -91.000 TYR 259 0.840 21.518 -21.201 -18.441 -99.200 -91.000 PHE 262 1.000 15.876 -20.686 -13.497 -99.200 -91.000 PHE 296 1.000 7.809 -5.537 -11.411 -99.200 -91.000 TYR 299 0.840 20.752 -0.943 -5.596 -99.200 -91.000 TYR 306 0.840 14.139 -14.184 -15.116 -99.200 -91.000 TYR 320 0.840 16.805 2.033 -28.661 -99.200 -91.000 TYR 328 0.840 10.285 0.107 -39.663 -99.200 -91.000 PHE 345 1.000 9.052 0.865 -13.009 -99.200 -91.000 TYR 361 0.840 20.585 2.136 -9.261 -99.200 -91.000 PHE 362 1.000 22.272 7.504 -12.955 -99.200 -91.000 PHE 366 1.000 21.989 3.016 -17.559 -99.200 -91.000 HIS 368 0.900 27.366 -3.514 -22.741 -99.200 -91.000 TYR 381 0.840 17.973 12.356 -18.189 -99.200 -91.000 PHE 391 1.000 10.211 14.375 -15.938 -99.200 -91.000 PHE 396 1.000 5.521 21.247 -3.740 -99.200 -91.000 PHE 403 1.000 11.429 9.348 -6.175 -99.200 -91.000 PHE 415 1.000 8.712 2.325 -19.211 -99.200 -91.000 HIS 417 0.900 13.888 11.666 -24.022 -99.200 -91.000 TYR 421 0.840 16.727 5.534 -32.021 -99.200 -91.000 PHE 422 1.000 7.944 2.866 -33.319 -99.200 -91.000 HIS 425 0.900 15.872 6.837 -35.746 -99.200 -91.000 PHE 426 1.000 6.605 2.224 -37.780 -99.200 -91.000 TYR 432 0.840 -2.877 9.365 -35.894 -99.200 -91.000 PHE 434 1.000 -0.856 7.542 -25.175 -99.200 -91.000 PHE 448 1.000 0.087 5.672 -10.677 -99.200 -91.000 HIS 449 0.900 5.180 1.712 -16.504 -99.200 -91.000 TRP 455 1.040 -6.879 6.866 -15.277 -99.200 -91.000 TRP6 455 1.020 -8.323 7.314 -13.461 -99.200 -91.000 TYR 458 0.840 -9.116 -2.793 -13.000 -99.200 -91.000 TYR 467 0.840 -5.083 6.225 -21.308 -99.200 -91.000 PHE 471 1.000 -5.180 3.755 -26.942 -99.200 -91.000 PHE 474 1.000 -4.277 3.272 -34.922 -99.200 -91.000 TRP 489 1.040 -3.348 11.881 -31.423 -99.200 -91.000 TRP6 489 1.020 -3.985 10.032 -30.100 -99.200 -91.000 TYR 492 0.840 6.139 12.401 -33.054 -99.200 -91.000 TYR 511 0.840 -2.690 19.852 -22.534 -99.200 -91.000 PHE 517 1.000 8.872 15.531 -23.449 -99.200 -91.000 TYR 522 0.840 16.128 11.401 -28.860 -99.200 -91.000 PHE 532 1.000 23.677 5.512 -21.674 -99.200 -91.000 PHE 533 1.000 20.739 -1.665 -26.631 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1llfB1 ALA 1001 H 0.01 0.19 0.10 -0.55 8.40 8.15 1llfB1 ALA 1001 HA -0.02 -0.09 0.20 -0.75 4.34 3.67 1llfB1 ALA 1001 HB3 -0.02 0.02 0.04 -0.04 1.41 1.41 1llfB1 PRO 1002 HA 0.08 0.06 0.39 -0.51 4.44 4.46 1llfB1 PRO 1002 HB2 -0.34 -0.05 -0.14 -0.04 2.28 1.71 1llfB1 PRO 1002 HB3 0.08 0.12 -0.00 -0.04 2.02 2.18 1llfB1 PRO 1002 HG2 -0.18 0.04 -0.44 -0.04 2.03 1.41 1llfB1 PRO 1002 HG3 -0.03 0.03 -0.03 -0.04 2.03 1.96 1llfB1 PRO 1002 HD2 -0.11 0.25 -0.16 -0.04 3.68 3.63 1llfB1 PRO 1002 HD3 -0.04 0.06 0.09 -0.04 3.65 3.71 1llfB1 THR 1003 H 0.16 0.19 0.26 -0.55 8.28 8.33 1llfB1 THR 1003 HA 0.35 0.28 0.95 -0.75 4.39 5.21 1llfB1 THR 1003 HB 0.07 0.01 0.07 -0.04 4.32 4.43 1llfB1 THR 1003 HG23 0.07 0.04 -0.21 -0.04 1.22 1.09 1llfB1 ALA 1004 H 0.03 0.60 0.30 -0.55 8.40 8.78 1llfB1 ALA 1004 HA -0.27 0.19 0.74 -0.75 4.34 4.24 1llfB1 ALA 1004 HB3 -1.15 0.01 -0.23 -0.04 1.41 0.00 1llfB1 LYS 1005 H -0.25 0.25 0.17 -0.55 8.42 8.03 1llfB1 LYS 1005 HA -0.10 0.27 0.98 -0.75 4.32 4.72 1llfB1 LYS 1005 HB2 -0.07 -0.05 0.00 -0.04 1.87 1.71 1llfB1 LYS 1005 HB3 -0.11 -0.03 0.13 -0.04 1.79 1.75 1llfB1 LYS 1005 HG2 -0.07 0.22 -0.18 -0.04 1.46 1.39 1llfB1 LYS 1005 HG3 -0.04 0.01 -0.26 -0.04 1.46 1.13 1llfB1 LYS 1005 HD2 -0.04 -0.03 -0.03 -0.04 1.69 1.55 1llfB1 LYS 1005 HD3 -0.03 -0.02 -0.02 -0.04 1.68 1.58 1llfB1 LYS 1005 HE2 -0.02 0.03 -0.07 -0.04 2.99 2.88 1llfB1 LYS 1005 HE3 -0.03 -0.04 -0.03 -0.04 2.99 2.85 1llfB1 LEU 1006 H -0.07 0.74 0.23 -0.55 8.37 8.72 1llfB1 LEU 1006 HA -0.15 0.22 0.62 -0.75 4.35 4.29 1llfB1 LEU 1006 HB2 0.00 -0.17 0.07 -0.04 1.64 1.50 1llfB1 LEU 1006 HB3 -0.04 -0.04 0.14 -0.04 1.64 1.66 1llfB1 LEU 1006 HG 0.01 0.11 -0.07 -0.04 1.64 1.65 1llfB1 LEU 1006 HD13 0.15 -0.01 -0.08 -0.04 0.93 0.95 1llfB1 LEU 1006 HD23 0.10 0.03 -0.18 -0.04 0.89 0.80 1llfB1 ALA 1007 H -0.15 0.19 0.17 -0.55 8.40 8.07 1llfB1 ALA 1007 HA -0.08 0.14 0.36 -0.75 4.34 4.00 1llfB1 ALA 1007 HB3 -0.10 0.08 0.08 -0.04 1.41 1.43 1llfB1 ASN 1008 H -0.02 -0.00 -0.29 -0.55 8.53 7.67 1llfB1 ASN 1008 HA -0.00 0.21 0.43 -0.75 4.76 4.65 1llfB1 ASN 1008 HB2 0.03 0.04 0.11 -0.04 2.88 3.02 1llfB1 ASN 1008 HB3 0.03 0.05 0.02 -0.04 2.79 2.86 1llfB1 ASN 1008 HD21 0.12 -0.06 -0.01 -0.04 7.03 7.03 1llfB1 ASN 1008 HD22 0.09 0.12 -0.04 -0.04 7.74 7.87 1llfB1 GLY 1009 H -0.02 0.43 -0.69 -0.55 8.43 7.60 1llfB1 GLY 1009 HA2 -0.02 0.10 0.21 -0.51 4.01 3.79 1llfB1 GLY 1009 HA3 -0.00 0.12 0.52 -0.51 4.01 4.14 1llfB1 ASP 1010 H 0.02 0.01 -0.27 -0.55 8.40 7.62 1llfB1 ASP 1010 HA 0.04 0.03 0.53 -0.75 4.63 4.48 1llfB1 ASP 1010 HB2 0.07 -0.03 0.02 -0.04 2.71 2.72 1llfB1 ASP 1010 HB3 0.10 0.08 -0.28 -0.04 2.70 2.56 1llfB1 THR 1011 H 0.04 0.07 0.24 -0.55 8.28 8.09 1llfB1 THR 1011 HA -0.01 0.34 1.09 -0.75 4.39 5.07 1llfB1 THR 1011 HB 0.03 -0.09 0.17 -0.04 4.32 4.39 1llfB1 THR 1011 HG23 0.02 0.02 -0.15 -0.04 1.22 1.07 1llfB1 ILE 1012 H 0.03 0.74 0.33 -0.55 8.25 8.81 1llfB1 ILE 1012 HA 0.23 0.25 0.99 -0.75 4.18 4.89 1llfB1 ILE 1012 HB 0.57 0.09 0.03 -0.04 1.89 2.54 1llfB1 ILE 1012 HG12 0.00 0.05 -0.06 -0.04 1.49 1.45 1llfB1 ILE 1012 HG13 0.27 -0.04 -0.28 -0.04 1.21 1.12 1llfB1 ILE 1012 HG23 0.21 0.03 -0.23 -0.04 0.93 0.89 1llfB1 ILE 1012 HD13 0.19 -0.01 -0.17 -0.04 0.88 0.85 1llfB1 THR 1013 H 0.29 0.66 0.35 -0.55 8.28 9.03 1llfB1 THR 1013 HA 0.22 0.30 1.03 -0.75 4.39 5.18 1llfB1 THR 1013 HB 0.06 -0.06 0.04 -0.04 4.32 4.32 1llfB1 THR 1013 HG23 0.01 0.05 -0.06 -0.04 1.22 1.18 1llfB1 GLY 1014 H -0.09 0.72 0.18 -0.55 8.43 8.69 1llfB1 GLY 1014 HA2 -0.16 0.20 0.93 -0.51 4.01 4.47 1llfB1 GLY 1014 HA3 -1.08 0.02 0.32 -0.51 4.01 2.75 1llfB1 LEU 1015 H -0.36 0.74 0.40 -0.55 8.37 8.61 1llfB1 LEU 1015 HA -0.11 0.13 0.83 -0.75 4.35 4.45 1llfB1 LEU 1015 HB2 -0.10 0.02 0.09 -0.04 1.64 1.61 1llfB1 LEU 1015 HB3 -0.13 0.00 0.25 -0.04 1.64 1.73 1llfB1 LEU 1015 HG -0.07 -0.09 -0.52 -0.04 1.64 0.92 1llfB1 LEU 1015 HD13 -0.05 -0.00 0.03 -0.04 0.93 0.86 1llfB1 LEU 1015 HD23 -0.06 0.04 -0.01 -0.04 0.89 0.82 1llfB1 ASN 1016 H -0.07 0.22 0.20 -0.55 8.53 8.33 1llfB1 ASN 1016 HA -0.05 0.15 1.08 -0.75 4.76 5.19 1llfB1 ASN 1016 HB2 -0.03 0.04 0.17 -0.04 2.88 3.02 1llfB1 ASN 1016 HB3 -0.03 0.02 0.28 -0.04 2.79 3.02 1llfB1 ASN 1016 HD21 -0.01 0.02 0.06 -0.04 7.03 7.06 1llfB1 ASN 1016 HD22 -0.01 0.02 0.03 -0.04 7.74 7.75 1llfB1 ALA 1017 H -0.04 0.54 0.27 -0.55 8.40 8.63 1llfB1 ALA 1017 HA -0.03 0.17 0.70 -0.75 4.34 4.42 1llfB1 ALA 1017 HB3 -0.03 0.01 0.06 -0.04 1.41 1.41 1llfB1 ILE 1018 H -0.02 0.08 -0.36 -0.55 8.25 7.40 1llfB1 ILE 1018 HA -0.01 0.02 0.32 -0.75 4.18 3.76 1llfB1 ILE 1018 HB -0.01 0.15 0.19 -0.04 1.89 2.18 1llfB1 ILE 1018 HG12 -0.01 0.04 -0.30 -0.04 1.49 1.18 1llfB1 ILE 1018 HG13 -0.01 -0.01 -0.05 -0.04 1.21 1.10 1llfB1 ILE 1018 HG23 -0.00 -0.00 -0.08 -0.04 0.93 0.81 1llfB1 ILE 1018 HD13 -0.01 -0.01 -0.04 -0.04 0.88 0.77 1llfB1 ILE 1019 H -0.01 0.71 0.04 -0.55 8.25 8.44 1llfB1 ILE 1019 HA -0.00 0.14 0.68 -0.75 4.18 4.25 1llfB1 ILE 1019 HB -0.01 -0.01 0.10 -0.04 1.89 1.94 1llfB1 ILE 1019 HG12 -0.02 0.20 0.11 -0.04 1.49 1.74 1llfB1 ILE 1019 HG13 -0.02 -0.01 -0.21 -0.04 1.21 0.93 1llfB1 ILE 1019 HG23 -0.01 0.00 0.03 -0.04 0.93 0.91 1llfB1 ILE 1019 HD13 -0.02 -0.02 -0.02 -0.04 0.88 0.77 1llfB1 ASN 1020 H -0.01 0.11 -0.38 -0.55 8.53 7.71 1llfB1 ASN 1020 HA 0.02 0.17 0.24 -0.75 4.76 4.44 1llfB1 ASN 1020 HB2 0.03 0.14 0.05 -0.04 2.88 3.06 1llfB1 ASN 1020 HB3 0.01 0.12 -0.01 -0.04 2.79 2.87 1llfB1 ASN 1020 HD21 -0.02 0.07 -0.24 -0.04 7.03 6.80 1llfB1 ASN 1020 HD22 -0.03 -0.05 -0.15 -0.04 7.74 7.47 1llfB1 GLU 1021 H 0.05 0.77 0.19 -0.55 8.60 9.06 1llfB1 GLU 1021 HA -0.05 0.17 0.98 -0.75 4.29 4.64 1llfB1 GLU 1021 HB2 0.12 0.10 0.07 -0.04 2.09 2.34 1llfB1 GLU 1021 HB3 -0.02 0.01 0.03 -0.04 1.99 1.97 1llfB1 GLU 1021 HG2 -0.01 -0.05 0.08 -0.04 2.34 2.31 1llfB1 GLU 1021 HG3 0.02 -0.08 -0.31 -0.04 2.34 1.94 1llfB1 ALA 1022 H -0.17 0.61 0.36 -0.55 8.40 8.65 1llfB1 ALA 1022 HA 0.05 0.33 1.10 -0.75 4.34 5.06 1llfB1 ALA 1022 HB3 -0.08 -0.02 -0.06 -0.04 1.41 1.21 1llfB1 PHE 1023 H 0.25 0.85 0.31 -0.55 8.34 9.20 1llfB1 PHE 1023 HA 0.12 0.31 1.01 -0.75 4.62 5.31 1llfB1 PHE 1023 HB2 0.14 -0.05 0.20 -0.04 3.15 3.39 1llfB1 PHE 1023 HB3 0.21 0.02 -0.01 -0.04 3.06 3.24 1llfB1 PHE 1023 HD2 0.23 0.09 -0.27 -0.04 7.28 7.29 1llfB1 PHE 1023 HE2 0.14 0.06 -0.32 -0.04 7.38 7.22 1llfB1 PHE 1023 HZ 0.07 0.02 -0.43 -0.04 7.32 6.94 1llfB1 LEU 1024 H 0.10 0.65 0.01 -0.55 8.37 8.59 1llfB1 LEU 1024 HA -0.11 0.06 0.74 -0.75 4.35 4.29 1llfB1 LEU 1024 HB2 -0.17 -0.05 -0.46 -0.04 1.64 0.92 1llfB1 LEU 1024 HB3 -0.51 -0.03 -0.44 -0.04 1.64 0.62 1llfB1 LEU 1024 HG -0.19 0.00 -0.44 -0.04 1.64 0.97 1llfB1 LEU 1024 HD13 -0.48 0.01 -0.32 -0.04 0.93 0.10 1llfB1 LEU 1024 HD23 -0.50 0.02 -0.27 -0.04 0.89 0.09 1llfB1 GLY 1025 H -0.03 0.17 0.10 -0.55 8.43 8.12 1llfB1 GLY 1025 HA2 0.05 -0.06 0.26 -0.51 4.01 3.74 1llfB1 GLY 1025 HA3 0.11 0.19 0.48 -0.51 4.01 4.28 1llfB1 ILE 1026 H -0.13 0.35 0.03 -0.55 8.25 7.95 1llfB1 ILE 1026 HA -0.56 0.14 0.46 -0.75 4.18 3.47 1llfB1 ILE 1026 HB -0.46 -0.04 0.08 -0.04 1.89 1.43 1llfB1 ILE 1026 HG12 -0.77 0.01 -0.18 -0.04 1.49 0.51 1llfB1 ILE 1026 HG13 -0.21 -0.04 -0.25 -0.04 1.21 0.67 1llfB1 ILE 1026 HG23 -0.24 0.03 -0.19 -0.04 0.93 0.48 1llfB1 ILE 1026 HD13 0.03 -0.02 -0.15 -0.04 0.88 0.70 1llfB1 PRO 1027 HA -0.20 0.18 0.56 -0.51 4.44 4.47 1llfB1 PRO 1027 HB2 -0.81 -0.01 -0.05 -0.04 2.28 1.37 1llfB1 PRO 1027 HB3 -0.21 0.02 0.07 -0.04 2.02 1.86 1llfB1 PRO 1027 HG2 -0.76 -0.02 0.04 -0.04 2.03 1.25 1llfB1 PRO 1027 HG3 -0.17 0.02 0.05 -0.04 2.03 1.89 1llfB1 PRO 1027 HD2 -0.22 0.03 0.20 -0.04 3.68 3.65 1llfB1 PRO 1027 HD3 0.08 0.33 0.27 -0.04 3.65 4.30 1llfB1 PHE 1028 H -0.35 0.55 0.33 -0.55 8.34 8.31 1llfB1 PHE 1028 HA -0.05 0.22 0.94 -0.75 4.62 4.97 1llfB1 PHE 1028 HB2 -0.17 -0.02 0.06 -0.04 3.15 2.98 1llfB1 PHE 1028 HB3 -0.73 0.02 -0.14 -0.04 3.06 2.16 1llfB1 PHE 1028 HD2 -0.16 -0.04 -0.35 -0.04 7.28 6.70 1llfB1 PHE 1028 HE2 -0.05 0.08 -0.12 -0.04 7.38 7.25 1llfB1 PHE 1028 HZ -0.01 0.13 -0.06 -0.04 7.32 7.35 1llfB1 ALA 1029 H -0.32 0.20 0.19 -0.55 8.40 7.92 1llfB1 ALA 1029 HA 0.06 0.16 0.73 -0.75 4.34 4.54 1llfB1 ALA 1029 HB3 -0.27 -0.01 -0.04 -0.04 1.41 1.04 1llfB1 GLU 1030 H 0.04 0.70 0.08 -0.55 8.60 8.87 1llfB1 GLU 1030 HA 0.10 0.03 0.64 -0.75 4.29 4.31 1llfB1 GLU 1030 HB2 0.01 -0.01 0.05 -0.04 2.09 2.09 1llfB1 GLU 1030 HB3 0.00 0.03 0.02 -0.04 1.99 2.00 1llfB1 GLU 1030 HG2 -0.00 0.20 -0.11 -0.04 2.34 2.39 1llfB1 GLU 1030 HG3 -0.02 -0.01 -0.00 -0.04 2.34 2.27 1llfB1 PRO 1031 HA -0.03 0.06 0.41 -0.51 4.44 4.36 1llfB1 PRO 1031 HB2 0.00 -0.05 0.10 -0.04 2.28 2.29 1llfB1 PRO 1031 HB3 -0.01 -0.04 0.09 -0.04 2.02 2.02 1llfB1 PRO 1031 HG2 0.03 0.02 0.09 -0.04 2.03 2.13 1llfB1 PRO 1031 HG3 0.04 0.08 0.09 -0.04 2.03 2.20 1llfB1 PRO 1031 HD2 0.03 0.06 0.20 -0.04 3.68 3.93 1llfB1 PRO 1031 HD3 0.10 0.15 0.26 -0.04 3.65 4.12 1llfB1 PRO 1032 HA -0.02 0.17 0.37 -0.51 4.44 4.45 1llfB1 PRO 1032 HB2 -0.02 0.00 0.13 -0.04 2.28 2.35 1llfB1 PRO 1032 HB3 -0.02 0.09 0.06 -0.04 2.02 2.11 1llfB1 PRO 1032 HG2 -0.04 0.04 0.10 -0.04 2.03 2.09 1llfB1 PRO 1032 HG3 -0.04 -0.02 0.09 -0.04 2.03 2.01 1llfB1 PRO 1032 HD2 -0.05 0.04 0.23 -0.04 3.68 3.86 1llfB1 PRO 1032 HD3 -0.07 0.19 0.22 -0.04 3.65 3.95 1llfB1 VAL 1033 H -0.01 0.56 -0.28 -0.55 8.24 7.95 1llfB1 VAL 1033 HA -0.01 0.16 0.61 -0.75 4.13 4.13 1llfB1 VAL 1033 HB 0.00 -0.05 0.04 -0.04 2.12 2.08 1llfB1 VAL 1033 HG13 -0.01 -0.02 -0.28 -0.04 0.97 0.61 1llfB1 VAL 1033 HG23 0.00 0.04 -0.13 -0.04 0.95 0.82 1llfB1 GLY 1034 H 0.01 0.11 0.15 -0.55 8.43 8.15 1llfB1 GLY 1034 HA2 0.01 0.31 0.43 -0.51 4.01 4.25 1llfB1 GLY 1034 HA3 0.01 -0.05 0.36 -0.51 4.01 3.83 1llfB1 ASN 1035 H 0.01 0.10 0.21 -0.55 8.53 8.31 1llfB1 ASN 1035 HA 0.03 0.09 0.38 -0.75 4.76 4.50 1llfB1 ASN 1035 HB2 0.02 -0.01 0.10 -0.04 2.88 2.95 1llfB1 ASN 1035 HB3 0.03 0.02 0.11 -0.04 2.79 2.90 1llfB1 ASN 1035 HD21 0.02 0.00 0.04 -0.04 7.03 7.05 1llfB1 ASN 1035 HD22 0.02 -0.01 0.00 -0.04 7.74 7.72 1llfB1 LEU 1036 H -0.01 0.43 -0.46 -0.55 8.37 7.79 1llfB1 LEU 1036 HA 0.01 0.16 0.71 -0.75 4.35 4.47 1llfB1 LEU 1036 HB2 -0.01 0.08 -0.01 -0.04 1.64 1.65 1llfB1 LEU 1036 HB3 -0.00 0.00 0.03 -0.04 1.64 1.63 1llfB1 LEU 1036 HG 0.01 -0.09 -0.08 -0.04 1.64 1.44 1llfB1 LEU 1036 HD13 0.00 0.02 -0.04 -0.04 0.93 0.87 1llfB1 LEU 1036 HD23 0.02 0.03 -0.06 -0.04 0.89 0.84 1llfB1 ARG 1037 H -0.08 0.41 -0.47 -0.55 8.46 7.77 1llfB1 ARG 1037 HA -0.23 0.11 0.44 -0.75 4.34 3.91 1llfB1 ARG 1037 HB2 -0.35 0.08 0.02 -0.04 1.90 1.61 1llfB1 ARG 1037 HB3 -1.36 -0.07 -0.08 -0.04 1.80 0.25 1llfB1 ARG 1037 HG2 -0.14 -0.05 0.07 -0.04 1.67 1.51 1llfB1 ARG 1037 HG3 -0.10 -0.10 -0.07 -0.04 1.67 1.35 1llfB1 ARG 1037 HD2 -0.04 0.21 0.15 -0.04 3.22 3.49 1llfB1 ARG 1037 HD3 -0.14 -0.00 -0.04 -0.04 3.22 3.00 1llfB1 PHE 1038 H -0.27 0.17 0.20 -0.55 8.34 7.89 1llfB1 PHE 1038 HA 0.03 0.10 0.36 -0.75 4.62 4.35 1llfB1 PHE 1038 HB2 0.04 0.10 0.04 -0.04 3.15 3.29 1llfB1 PHE 1038 HB3 0.02 -0.04 0.08 -0.04 3.06 3.07 1llfB1 PHE 1038 HD2 0.03 0.13 -0.10 -0.04 7.28 7.29 1llfB1 PHE 1038 HE2 -0.06 -0.06 -0.24 -0.04 7.38 6.98 1llfB1 PHE 1038 HZ 0.17 -0.03 -0.15 -0.04 7.32 7.27 1llfB1 LYS 1039 H 0.05 0.31 -0.82 -0.55 8.42 7.41 1llfB1 LYS 1039 HA 0.09 0.02 0.42 -0.75 4.32 4.10 1llfB1 LYS 1039 HB2 0.04 0.12 -0.05 -0.04 1.87 1.94 1llfB1 LYS 1039 HB3 0.05 -0.06 0.03 -0.04 1.79 1.77 1llfB1 LYS 1039 HG2 0.08 -0.09 -0.11 -0.04 1.46 1.30 1llfB1 LYS 1039 HG3 0.08 0.21 -0.25 -0.04 1.46 1.46 1llfB1 LYS 1039 HD2 0.04 -0.01 0.06 -0.04 1.69 1.74 1llfB1 LYS 1039 HD3 0.05 -0.07 -0.02 -0.04 1.68 1.60 1llfB1 LYS 1039 HE2 0.06 -0.11 -0.03 -0.04 2.99 2.87 1llfB1 LYS 1039 HE3 0.07 0.07 0.00 -0.04 2.99 3.09 1llfB1 ASP 1040 H 0.06 0.06 0.09 -0.55 8.40 8.07 1llfB1 ASP 1040 HA 0.07 0.03 0.42 -0.75 4.63 4.41 1llfB1 ASP 1040 HB2 0.07 -0.06 0.02 -0.04 2.71 2.70 1llfB1 ASP 1040 HB3 0.09 0.09 0.02 -0.04 2.70 2.86 1llfB1 PRO 1041 HA 0.02 0.09 0.47 -0.51 4.44 4.51 1llfB1 PRO 1041 HB2 0.05 0.03 -0.11 -0.04 2.28 2.21 1llfB1 PRO 1041 HB3 0.02 -0.01 0.06 -0.04 2.02 2.05 1llfB1 PRO 1041 HG2 0.10 0.04 -0.05 -0.04 2.03 2.08 1llfB1 PRO 1041 HG3 0.10 -0.01 -0.28 -0.04 2.03 1.80 1llfB1 PRO 1041 HD2 0.09 0.04 0.15 -0.04 3.68 3.92 1llfB1 PRO 1041 HD3 0.06 0.16 0.13 -0.04 3.65 3.96 1llfB1 VAL 1042 H 0.02 0.14 0.14 -0.55 8.24 7.99 1llfB1 VAL 1042 HA 0.06 0.22 0.79 -0.75 4.13 4.45 1llfB1 VAL 1042 HB 0.02 -0.12 0.12 -0.04 2.12 2.11 1llfB1 VAL 1042 HG13 0.03 0.05 -0.09 -0.04 0.97 0.92 1llfB1 VAL 1042 HG23 0.03 0.03 -0.05 -0.04 0.95 0.91 1llfB1 PRO 1043 HA 0.18 0.16 0.43 -0.51 4.44 4.69 1llfB1 PRO 1043 HB2 0.10 -0.02 -0.01 -0.04 2.28 2.31 1llfB1 PRO 1043 HB3 0.16 0.07 0.06 -0.04 2.02 2.27 1llfB1 PRO 1043 HG2 0.11 0.01 0.07 -0.04 2.03 2.17 1llfB1 PRO 1043 HG3 0.13 0.07 0.07 -0.04 2.03 2.26 1llfB1 PRO 1043 HD2 0.07 0.05 0.18 -0.04 3.68 3.94 1llfB1 PRO 1043 HD3 0.09 0.28 0.22 -0.04 3.65 4.20 1llfB1 TYR 1044 H 0.28 0.42 -0.03 -0.55 8.29 8.41 1llfB1 TYR 1044 HA 0.04 -0.05 0.21 -0.75 4.56 4.01 1llfB1 TYR 1044 HB2 0.06 -0.09 -0.61 -0.04 3.06 2.38 1llfB1 TYR 1044 HB3 0.15 0.07 -0.13 -0.04 2.98 3.02 1llfB1 TYR 1044 HD2 0.06 0.13 -0.33 -0.04 7.15 6.97 1llfB1 TYR 1044 HE2 0.06 0.02 -0.23 -0.04 6.85 6.66 1llfB1 SER 1045 H -0.51 0.02 0.12 -0.55 8.46 7.55 1llfB1 SER 1045 HA -0.03 0.22 0.58 -0.75 4.49 4.50 1llfB1 SER 1045 HB2 -0.06 -0.03 0.03 -0.04 3.95 3.85 1llfB1 SER 1045 HB3 -0.06 0.09 -0.02 -0.04 3.93 3.90 1llfB1 GLY 1046 H -0.98 -0.04 -0.03 -0.55 8.43 6.84 1llfB1 GLY 1046 HA2 -0.06 0.09 0.32 -0.51 4.01 3.85 1llfB1 GLY 1046 HA3 -0.14 0.02 0.30 -0.51 4.01 3.68 1llfB1 SER 1047 H 0.08 0.10 0.15 -0.55 8.46 8.24 1llfB1 SER 1047 HA 0.15 0.14 0.79 -0.75 4.49 4.82 1llfB1 SER 1047 HB2 0.07 0.08 0.08 -0.04 3.95 4.14 1llfB1 SER 1047 HB3 0.08 0.01 0.16 -0.04 3.93 4.14 1llfB1 LEU 1048 H 0.17 0.14 0.11 -0.55 8.37 8.24 1llfB1 LEU 1048 HA 0.22 0.23 0.76 -0.75 4.35 4.81 1llfB1 LEU 1048 HB2 0.19 -0.04 -0.04 -0.04 1.64 1.70 1llfB1 LEU 1048 HB3 0.35 0.02 0.08 -0.04 1.64 2.05 1llfB1 LEU 1048 HG 0.24 0.00 -0.27 -0.04 1.64 1.57 1llfB1 LEU 1048 HD13 -0.07 0.03 -0.06 -0.04 0.93 0.78 1llfB1 LEU 1048 HD23 0.19 0.04 -0.12 -0.04 0.89 0.96 1llfB1 ASN 1049 H 0.12 0.00 -0.13 -0.55 8.53 7.97 1llfB1 ASN 1049 HA 0.10 0.02 0.36 -0.75 4.76 4.48 1llfB1 ASN 1049 HB2 0.07 -0.05 0.14 -0.04 2.88 3.00 1llfB1 ASN 1049 HB3 0.06 0.03 0.08 -0.04 2.79 2.92 1llfB1 ASN 1049 HD21 0.04 -0.01 -0.05 -0.04 7.03 6.97 1llfB1 ASN 1049 HD22 0.03 0.02 -0.00 -0.04 7.74 7.75 1llfB1 GLY 1050 H 0.09 0.59 0.41 -0.55 8.43 8.97 1llfB1 GLY 1050 HA2 0.06 0.01 0.40 -0.51 4.01 3.97 1llfB1 GLY 1050 HA3 0.04 0.01 0.51 -0.51 4.01 4.06 1llfB1 GLN 1051 H 0.13 0.45 -0.25 -0.55 8.47 8.25 1llfB1 GLN 1051 HA -0.06 0.04 0.57 -0.75 4.36 4.17 1llfB1 GLN 1051 HB2 0.24 0.11 0.08 -0.04 2.15 2.54 1llfB1 GLN 1051 HB3 -0.33 0.03 0.04 -0.04 2.02 1.72 1llfB1 GLN 1051 HG2 -0.00 -0.04 -0.07 -0.04 2.40 2.26 1llfB1 GLN 1051 HG3 0.10 0.09 -0.28 -0.04 2.39 2.26 1llfB1 GLN 1051 HE21 -0.13 0.05 0.02 -0.04 6.97 6.86 1llfB1 GLN 1051 HE22 0.11 -0.03 0.01 -0.04 7.69 7.75 1llfB1 LYS 1052 H -0.29 0.12 0.21 -0.55 8.42 7.92 1llfB1 LYS 1052 HA -0.04 0.23 0.88 -0.75 4.32 4.63 1llfB1 LYS 1052 HB2 -0.17 -0.04 0.10 -0.04 1.87 1.72 1llfB1 LYS 1052 HB3 -0.09 0.02 -0.02 -0.04 1.79 1.66 1llfB1 LYS 1052 HG2 -0.04 0.06 -0.09 -0.04 1.46 1.36 1llfB1 LYS 1052 HG3 -0.08 -0.01 0.05 -0.04 1.46 1.38 1llfB1 LYS 1052 HD2 -0.05 -0.03 0.01 -0.04 1.69 1.58 1llfB1 LYS 1052 HD3 -0.06 -0.02 -0.02 -0.04 1.68 1.54 1llfB1 LYS 1052 HE2 -0.03 0.05 -0.03 -0.04 2.99 2.94 1llfB1 LYS 1052 HE3 -0.02 0.01 -0.01 -0.04 2.99 2.92 1llfB1 PHE 1053 H 0.11 0.79 0.26 -0.55 8.34 8.95 1llfB1 PHE 1053 HA 0.00 0.18 0.92 -0.75 4.62 4.97 1llfB1 PHE 1053 HB2 0.18 -0.00 0.15 -0.04 3.15 3.43 1llfB1 PHE 1053 HB3 0.06 0.09 -0.06 -0.04 3.06 3.11 1llfB1 PHE 1053 HD2 0.09 0.10 -0.25 -0.04 7.28 7.18 1llfB1 PHE 1053 HE2 0.04 0.05 -0.08 -0.04 7.38 7.36 1llfB1 PHE 1053 HZ 0.04 -0.04 -0.05 -0.04 7.32 7.22 1llfB1 THR 1054 H -0.05 0.20 0.04 -0.55 8.28 7.93 1llfB1 THR 1054 HA -0.07 0.20 0.87 -0.75 4.39 4.64 1llfB1 THR 1054 HB -0.06 -0.02 0.09 -0.04 4.32 4.28 1llfB1 THR 1054 HG23 -0.07 -0.02 -0.36 -0.04 1.22 0.73 1llfB1 SER 1055 H -0.03 0.26 0.01 -0.55 8.46 8.15 1llfB1 SER 1055 HA -0.08 0.08 0.51 -0.75 4.49 4.25 1llfB1 SER 1055 HB2 0.01 0.04 0.07 -0.04 3.95 4.03 1llfB1 SER 1055 HB3 -0.03 0.05 -0.17 -0.04 3.93 3.74 1llfB1 TYR 1056 H 0.07 0.12 0.05 -0.55 8.29 7.98 1llfB1 TYR 1056 HA 0.01 -0.09 0.37 -0.75 4.56 4.10 1llfB1 TYR 1056 HB2 -0.03 0.02 0.08 -0.04 3.06 3.09 1llfB1 TYR 1056 HB3 -0.03 0.17 -0.04 -0.04 2.98 3.04 1llfB1 TYR 1056 HD2 -0.01 0.01 -0.04 -0.04 7.15 7.07 1llfB1 TYR 1056 HE2 0.00 0.00 -0.13 -0.04 6.85 6.68 1llfB1 GLY 1057 H 0.11 -0.04 0.08 -0.55 8.43 8.04 1llfB1 GLY 1057 HA2 0.04 0.13 0.63 -0.51 4.01 4.29 1llfB1 GLY 1057 HA3 0.04 0.01 0.30 -0.51 4.01 3.86 1llfB1 PRO 1058 HA -0.04 0.14 0.24 -0.51 4.44 4.27 1llfB1 PRO 1058 HB2 -0.06 0.06 -0.31 -0.04 2.28 1.93 1llfB1 PRO 1058 HB3 -0.04 -0.04 -0.24 -0.04 2.02 1.67 1llfB1 PRO 1058 HG2 -0.04 0.10 -0.06 -0.04 2.03 1.99 1llfB1 PRO 1058 HG3 -0.03 -0.03 -0.07 -0.04 2.03 1.86 1llfB1 PRO 1058 HD2 0.00 0.05 0.14 -0.04 3.68 3.83 1llfB1 PRO 1058 HD3 -0.00 0.11 0.11 -0.04 3.65 3.82 1llfB1 SER 1059 H -0.08 0.58 0.24 -0.55 8.46 8.66 1llfB1 SER 1059 HA -0.10 -0.01 0.66 -0.75 4.49 4.29 1llfB1 SER 1059 HB2 -0.13 0.04 0.08 -0.04 3.95 3.89 1llfB1 SER 1059 HB3 -0.12 -0.08 0.06 -0.04 3.93 3.74 1llfB1 CYS 1060 H -0.09 0.08 0.13 -0.55 8.50 8.07 1llfB1 CYS 1060 HA -0.16 0.34 0.63 -0.75 4.58 4.63 1llfB1 CYS 1060 HB2 -0.05 0.06 0.04 -0.04 2.97 2.98 1llfB1 CYS 1060 HB3 -0.13 -0.12 0.10 -0.04 2.97 2.78 1llfB1 MET 1061 H -0.54 0.08 -0.00 -0.55 8.47 7.46 1llfB1 MET 1061 HA -0.38 0.04 0.29 -0.75 4.52 3.72 1llfB1 MET 1061 HB2 -2.70 -0.03 -0.02 -0.04 2.15 -0.64 1llfB1 MET 1061 HB3 -1.27 0.04 -0.08 -0.04 2.03 0.68 1llfB1 MET 1061 HG2 -0.77 0.02 -0.25 -0.04 2.63 1.59 1llfB1 MET 1061 HG3 -1.13 -0.00 -0.07 -0.04 2.56 1.32 1llfB1 MET 1061 HE3 -0.06 0.02 -0.07 -0.04 2.10 1.94 1llfB1 GLN 1062 H -0.14 0.12 0.11 -0.55 8.47 8.01 1llfB1 GLN 1062 HA 0.08 0.22 0.77 -0.75 4.36 4.68 1llfB1 GLN 1062 HB2 0.06 -0.03 0.04 -0.04 2.15 2.17 1llfB1 GLN 1062 HB3 0.10 -0.02 0.02 -0.04 2.02 2.08 1llfB1 GLN 1062 HG2 -0.03 0.12 -0.08 -0.04 2.40 2.37 1llfB1 GLN 1062 HG3 0.08 0.02 -0.04 -0.04 2.39 2.41 1llfB1 GLN 1062 HE21 -0.04 0.25 -0.09 -0.04 6.97 7.05 1llfB1 GLN 1062 HE22 -0.05 0.32 -0.39 -0.04 7.69 7.52 1llfB1 GLN 1063 H 0.24 0.62 0.25 -0.55 8.47 9.03 1llfB1 GLN 1063 HA 0.25 0.08 0.65 -0.75 4.36 4.59 1llfB1 GLN 1063 HB2 0.29 -0.07 0.05 -0.04 2.15 2.38 1llfB1 GLN 1063 HB3 0.27 -0.01 0.07 -0.04 2.02 2.31 1llfB1 GLN 1063 HG2 0.17 0.12 -0.36 -0.04 2.40 2.28 1llfB1 GLN 1063 HG3 0.21 0.02 -0.13 -0.04 2.39 2.44 1llfB1 GLN 1063 HE21 0.30 0.16 -0.44 -0.04 6.97 6.95 1llfB1 GLN 1063 HE22 0.21 0.27 -0.19 -0.04 7.69 7.94 1llfB1 ASN 1064 H 0.11 0.17 0.11 -0.55 8.53 8.38 1llfB1 ASN 1064 HA -0.00 0.13 0.49 -0.75 4.76 4.62 1llfB1 ASN 1064 HB2 0.02 0.11 0.13 -0.04 2.88 3.10 1llfB1 ASN 1064 HB3 0.04 0.03 0.21 -0.04 2.79 3.02 1llfB1 ASN 1064 HD21 -0.01 0.06 0.01 -0.04 7.03 7.05 1llfB1 ASN 1064 HD22 -0.03 0.23 0.08 -0.04 7.74 7.98 1llfB1 PRO 1065 HA -0.32 0.01 0.40 -0.51 4.44 4.01 1llfB1 PRO 1065 HB2 -0.33 0.03 -0.07 -0.04 2.28 1.87 1llfB1 PRO 1065 HB3 -1.23 -0.01 0.06 -0.04 2.02 0.79 1llfB1 PRO 1065 HG2 -0.06 0.04 0.05 -0.04 2.03 2.02 1llfB1 PRO 1065 HG3 0.01 0.08 0.07 -0.04 2.03 2.14 1llfB1 PRO 1065 HD2 -0.07 0.04 0.19 -0.04 3.68 3.81 1llfB1 PRO 1065 HD3 0.01 0.36 0.29 -0.04 3.65 4.26 1llfB1 GLU 1066 H -0.09 0.11 -0.44 -0.55 8.60 7.62 1llfB1 GLU 1066 HA -0.07 0.17 0.67 -0.75 4.29 4.30 1llfB1 GLU 1066 HB2 -0.06 0.05 -0.18 -0.04 2.09 1.86 1llfB1 GLU 1066 HB3 -0.05 -0.12 -0.16 -0.04 1.99 1.62 1llfB1 GLU 1066 HG2 -0.10 0.01 -0.43 -0.04 2.34 1.78 1llfB1 GLU 1066 HG3 -0.07 0.02 -0.18 -0.04 2.34 2.06 1llfB1 GLY 1067 H -0.02 0.39 -0.38 -0.55 8.43 7.87 1llfB1 GLY 1067 HA2 0.01 0.06 0.54 -0.51 4.01 4.11 1llfB1 GLY 1067 HA3 0.05 0.17 0.37 -0.51 4.01 4.09 1llfB1 THR 1068 H 0.00 0.62 0.27 -0.55 8.28 8.62 1llfB1 THR 1068 HA -0.07 -0.02 -0.18 -0.75 4.39 3.36 1llfB1 THR 1068 HB -0.15 0.13 0.13 -0.04 4.32 4.40 1llfB1 THR 1068 HG23 -0.12 0.10 -0.22 -0.04 1.22 0.94 1llfB1 PHE 1069 H -0.57 0.06 0.04 -0.55 8.34 7.32 1llfB1 PHE 1069 HA 0.03 0.22 0.80 -0.75 4.62 4.91 1llfB1 PHE 1069 HB2 0.02 -0.05 0.16 -0.04 3.15 3.23 1llfB1 PHE 1069 HB3 0.03 0.28 0.21 -0.04 3.06 3.53 1llfB1 PHE 1069 HD2 0.03 0.05 -0.08 -0.04 7.28 7.24 1llfB1 PHE 1069 HE2 0.05 0.00 0.01 -0.04 7.38 7.40 1llfB1 PHE 1069 HZ 0.06 -0.00 0.01 -0.04 7.32 7.35 1llfB1 GLU 1070 H -0.47 -0.08 -0.17 -0.55 8.60 7.34 1llfB1 GLU 1070 HA 0.03 0.13 0.65 -0.75 4.29 4.34 1llfB1 GLU 1070 HB2 -0.19 -0.03 -0.06 -0.04 2.09 1.77 1llfB1 GLU 1070 HB3 -0.08 0.01 0.10 -0.04 1.99 1.99 1llfB1 GLU 1070 HG2 0.01 0.05 -0.00 -0.04 2.34 2.36 1llfB1 GLU 1070 HG3 -0.70 -0.07 0.02 -0.04 2.34 1.55 1llfB1 GLU 1071 H -0.02 0.14 0.15 -0.55 8.60 8.33 1llfB1 GLU 1071 HA -0.02 0.25 0.95 -0.75 4.29 4.72 1llfB1 GLU 1071 HB2 -0.01 -0.03 0.12 -0.04 2.09 2.14 1llfB1 GLU 1071 HB3 -0.01 -0.04 -0.03 -0.04 1.99 1.87 1llfB1 GLU 1071 HG2 0.01 0.04 -0.10 -0.04 2.34 2.25 1llfB1 GLU 1071 HG3 0.00 -0.02 -0.01 -0.04 2.34 2.26 1llfB1 ASN 1072 H -0.03 0.30 0.16 -0.55 8.53 8.42 1llfB1 ASN 1072 HA -0.03 0.16 0.41 -0.75 4.76 4.54 1llfB1 ASN 1072 HB2 -0.04 -0.07 0.19 -0.04 2.88 2.92 1llfB1 ASN 1072 HB3 -0.05 0.27 -0.14 -0.04 2.79 2.83 1llfB1 ASN 1072 HD21 -0.07 0.06 -0.21 -0.04 7.03 6.77 1llfB1 ASN 1072 HD22 -0.06 0.11 -0.09 -0.04 7.74 7.67 1llfB1 LEU 1073 H -0.03 0.24 0.17 -0.55 8.37 8.20 1llfB1 LEU 1073 HA -0.03 0.12 0.25 -0.75 4.35 3.94 1llfB1 LEU 1073 HB2 -0.03 0.02 0.16 -0.04 1.64 1.74 1llfB1 LEU 1073 HB3 -0.03 0.05 0.05 -0.04 1.64 1.67 1llfB1 LEU 1073 HG -0.03 -0.01 0.05 -0.04 1.64 1.62 1llfB1 LEU 1073 HD13 -0.02 0.02 0.02 -0.04 0.93 0.91 1llfB1 LEU 1073 HD23 -0.02 0.01 -0.00 -0.04 0.89 0.84 1llfB1 GLY 1074 H -0.04 0.09 -0.17 -0.55 8.43 7.76 1llfB1 GLY 1074 HA2 -0.04 0.10 0.43 -0.51 4.01 3.99 1llfB1 GLY 1074 HA3 -0.04 0.12 0.26 -0.51 4.01 3.85 1llfB1 LYS 1075 H -0.04 0.08 -0.22 -0.55 8.42 7.69 1llfB1 LYS 1075 HA -0.04 -0.01 0.32 -0.75 4.32 3.83 1llfB1 LYS 1075 HB2 -0.04 0.22 0.06 -0.04 1.87 2.07 1llfB1 LYS 1075 HB3 -0.03 -0.03 0.11 -0.04 1.79 1.80 1llfB1 LYS 1075 HG2 -0.01 -0.05 -0.17 -0.04 1.46 1.18 1llfB1 LYS 1075 HG3 -0.01 -0.06 -0.09 -0.04 1.46 1.26 1llfB1 LYS 1075 HD2 -0.03 0.02 0.11 -0.04 1.69 1.75 1llfB1 LYS 1075 HD3 -0.02 -0.09 0.08 -0.04 1.68 1.60 1llfB1 LYS 1075 HE2 0.02 0.33 0.22 -0.04 2.99 3.52 1llfB1 LYS 1075 HE3 0.01 0.02 0.06 -0.04 2.99 3.04 1llfB1 THR 1076 H -0.03 0.34 -0.30 -0.55 8.28 7.74 1llfB1 THR 1076 HA -0.02 0.07 0.33 -0.75 4.39 4.01 1llfB1 THR 1076 HB -0.02 0.03 0.14 -0.04 4.32 4.43 1llfB1 THR 1076 HG23 -0.02 -0.00 -0.11 -0.04 1.22 1.05 1llfB1 ALA 1077 H -0.03 0.70 -0.00 -0.55 8.40 8.52 1llfB1 ALA 1077 HA -0.04 0.02 0.46 -0.75 4.34 4.04 1llfB1 ALA 1077 HB3 -0.04 0.02 0.13 -0.04 1.41 1.48 1llfB1 LEU 1078 H -0.05 0.60 -0.11 -0.55 8.37 8.27 1llfB1 LEU 1078 HA -0.09 0.03 0.44 -0.75 4.35 3.98 1llfB1 LEU 1078 HB2 -0.06 0.08 0.09 -0.04 1.64 1.71 1llfB1 LEU 1078 HB3 -0.09 -0.03 0.05 -0.04 1.64 1.53 1llfB1 LEU 1078 HG -0.06 0.14 0.04 -0.04 1.64 1.72 1llfB1 LEU 1078 HD13 -0.08 -0.05 -0.03 -0.04 0.93 0.73 1llfB1 LEU 1078 HD23 -0.06 -0.01 -0.05 -0.04 0.89 0.73 1llfB1 ASP 1079 H -0.05 0.45 -0.31 -0.55 8.40 7.94 1llfB1 ASP 1079 HA -0.07 0.03 0.52 -0.75 4.63 4.36 1llfB1 ASP 1079 HB2 -0.03 0.25 0.17 -0.04 2.71 3.06 1llfB1 ASP 1079 HB3 -0.03 0.00 0.01 -0.04 2.70 2.64 1llfB1 LEU 1080 H -0.05 0.56 -0.12 -0.55 8.37 8.22 1llfB1 LEU 1080 HA -0.03 0.03 0.35 -0.75 4.35 3.95 1llfB1 LEU 1080 HB2 -0.04 0.08 0.17 -0.04 1.64 1.81 1llfB1 LEU 1080 HB3 -0.03 -0.06 0.06 -0.04 1.64 1.57 1llfB1 LEU 1080 HG -0.03 0.32 0.13 -0.04 1.64 2.02 1llfB1 LEU 1080 HD13 -0.02 -0.03 -0.02 -0.04 0.93 0.82 1llfB1 LEU 1080 HD23 -0.02 -0.02 -0.02 -0.04 0.89 0.80 1llfB1 VAL 1081 H -0.08 0.46 -0.25 -0.55 8.24 7.83 1llfB1 VAL 1081 HA -0.06 -0.02 0.38 -0.75 4.13 3.68 1llfB1 VAL 1081 HB -0.15 0.06 0.18 -0.04 2.12 2.17 1llfB1 VAL 1081 HG13 -0.12 -0.01 -0.15 -0.04 0.97 0.65 1llfB1 VAL 1081 HG23 -0.04 0.02 0.04 -0.04 0.95 0.92 1llfB1 MET 1082 H -0.25 0.65 -0.06 -0.55 8.47 8.26 1llfB1 MET 1082 HA -1.44 0.03 0.36 -0.75 4.52 2.71 1llfB1 MET 1082 HB2 -0.23 0.06 0.10 -0.04 2.15 2.04 1llfB1 MET 1082 HB3 -0.38 -0.01 0.05 -0.04 2.03 1.65 1llfB1 MET 1082 HG2 -0.73 -0.03 0.01 -0.04 2.63 1.83 1llfB1 MET 1082 HG3 -0.37 0.06 0.11 -0.04 2.56 2.32 1llfB1 MET 1082 HE3 -0.03 0.02 -0.19 -0.04 2.10 1.86 1llfB1 GLN 1083 H -0.11 0.42 -0.44 -0.55 8.47 7.80 1llfB1 GLN 1083 HA -0.00 0.13 0.68 -0.75 4.36 4.41 1llfB1 GLN 1083 HB2 -0.03 0.13 0.09 -0.04 2.15 2.30 1llfB1 GLN 1083 HB3 -0.00 -0.11 0.06 -0.04 2.02 1.93 1llfB1 GLN 1083 HG2 -0.01 -0.03 -0.03 -0.04 2.40 2.29 1llfB1 GLN 1083 HG3 0.01 -0.07 0.01 -0.04 2.39 2.29 1llfB1 GLN 1083 HE21 -0.05 0.13 0.05 -0.04 6.97 7.06 1llfB1 GLN 1083 HE22 -0.06 -0.03 -0.13 -0.04 7.69 7.44 1llfB1 SER 1084 H -0.02 0.34 -0.34 -0.55 8.46 7.90 1llfB1 SER 1084 HA 0.02 0.01 0.38 -0.75 4.49 4.15 1llfB1 SER 1084 HB2 0.04 -0.18 0.16 -0.04 3.95 3.92 1llfB1 SER 1084 HB3 0.02 0.17 0.18 -0.04 3.93 4.26 1llfB1 LYS 1085 H 0.03 0.14 0.20 -0.55 8.42 8.24 1llfB1 LYS 1085 HA 0.03 0.16 0.45 -0.75 4.32 4.20 1llfB1 LYS 1085 HB2 0.02 -0.07 0.12 -0.04 1.87 1.90 1llfB1 LYS 1085 HB3 0.01 0.05 0.02 -0.04 1.79 1.83 1llfB1 LYS 1085 HG2 0.01 0.05 0.06 -0.04 1.46 1.54 1llfB1 LYS 1085 HG3 0.02 0.02 0.12 -0.04 1.46 1.57 1llfB1 LYS 1085 HD2 0.01 -0.02 0.06 -0.04 1.69 1.70 1llfB1 LYS 1085 HD3 0.01 -0.00 0.03 -0.04 1.68 1.68 1llfB1 LYS 1085 HE2 0.01 0.02 0.02 -0.04 2.99 3.00 1llfB1 LYS 1085 HE3 0.01 0.00 0.02 -0.04 2.99 2.98 1llfB1 VAL 1086 H 0.04 0.03 -0.20 -0.55 8.24 7.56 1llfB1 VAL 1086 HA 0.01 0.11 0.33 -0.75 4.13 3.83 1llfB1 VAL 1086 HB 0.04 0.00 0.10 -0.04 2.12 2.22 1llfB1 VAL 1086 HB 0.04 0.00 0.10 -0.04 2.12 2.22 1llfB1 VAL 1086 HG13 0.01 0.00 -0.11 -0.04 0.97 0.83 1llfB1 VAL 1086 HG13 0.01 0.00 -0.11 -0.04 0.97 0.83 1llfB1 VAL 1086 HG23 0.00 0.05 0.02 -0.04 0.95 0.99 1llfB1 VAL 1086 HG23 0.00 0.05 0.02 -0.04 0.95 0.99 1llfB1 PHE 1087 H 0.16 0.06 -0.25 -0.55 8.34 7.75 1llfB1 PHE 1087 HA -0.03 -0.01 0.37 -0.75 4.62 4.21 1llfB1 PHE 1087 HB2 -0.02 -0.01 0.12 -0.04 3.15 3.21 1llfB1 PHE 1087 HB3 -0.02 0.18 0.04 -0.04 3.06 3.22 1llfB1 PHE 1087 HD2 -0.02 0.04 -0.14 -0.04 7.28 7.12 1llfB1 PHE 1087 HE2 -0.03 -0.01 -0.03 -0.04 7.38 7.27 1llfB1 PHE 1087 HZ -0.02 -0.06 -0.03 -0.04 7.32 7.17 1llfB1 GLN 1088 H 0.16 0.58 -0.26 -0.55 8.47 8.41 1llfB1 GLN 1088 HA 0.08 0.08 0.20 -0.75 4.36 3.96 1llfB1 GLN 1088 HB2 0.05 -0.00 0.05 -0.04 2.15 2.21 1llfB1 GLN 1088 HB3 0.04 -0.08 0.01 -0.04 2.02 1.95 1llfB1 GLN 1088 HG2 0.13 -0.04 0.01 -0.04 2.40 2.46 1llfB1 GLN 1088 HG3 0.15 0.21 -0.11 -0.04 2.39 2.60 1llfB1 GLN 1088 HE21 0.05 0.02 0.05 -0.04 6.97 7.05 1llfB1 GLN 1088 HE22 0.03 -0.11 0.03 -0.04 7.69 7.60 1llfB1 ALA 1089 H -0.01 0.36 -0.54 -0.55 8.40 7.65 1llfB1 ALA 1089 HA -0.03 0.03 0.48 -0.75 4.34 4.06 1llfB1 ALA 1089 HB3 -0.02 -0.01 0.07 -0.04 1.41 1.40 1llfB1 VAL 1090 H -0.13 0.33 -0.15 -0.55 8.24 7.74 1llfB1 VAL 1090 HA -0.10 0.08 0.57 -0.75 4.13 3.92 1llfB1 VAL 1090 HB -0.14 0.00 0.05 -0.04 2.12 1.98 1llfB1 VAL 1090 HB -0.14 0.00 0.05 -0.04 2.12 1.98 1llfB1 VAL 1090 HG13 -0.08 0.22 0.07 -0.04 0.97 1.15 1llfB1 VAL 1090 HG13 -0.08 0.22 0.07 -0.04 0.97 1.15 1llfB1 VAL 1090 HG23 -0.28 0.00 0.23 -0.04 0.95 0.86 1llfB1 VAL 1090 HG23 -0.28 0.00 0.23 -0.04 0.95 0.86 1llfB1 LEU 1091 H -0.38 0.68 -0.05 -0.55 8.37 8.08 1llfB1 LEU 1091 HA -0.21 0.18 0.83 -0.75 4.35 4.40 1llfB1 LEU 1091 HB2 -1.00 0.01 0.13 -0.04 1.64 0.74 1llfB1 LEU 1091 HB3 -0.30 -0.05 0.05 -0.04 1.64 1.30 1llfB1 LEU 1091 HG -0.43 -0.06 -0.26 -0.04 1.64 0.85 1llfB1 LEU 1091 HD13 -0.35 -0.03 -0.05 -0.04 0.93 0.46 1llfB1 LEU 1091 HD23 -0.21 0.05 -0.11 -0.04 0.89 0.58 1llfB1 PRO 1092 HA -0.03 0.06 0.43 -0.51 4.44 4.39 1llfB1 PRO 1092 HB2 -0.04 -0.05 -0.09 -0.04 2.28 2.07 1llfB1 PRO 1092 HB3 -0.03 0.09 0.11 -0.04 2.02 2.14 1llfB1 PRO 1092 HG2 -0.04 -0.05 -0.08 -0.04 2.03 1.82 1llfB1 PRO 1092 HG3 -0.04 0.06 -0.03 -0.04 2.03 1.98 1llfB1 PRO 1092 HD2 -0.10 0.12 -0.06 -0.04 3.68 3.60 1llfB1 PRO 1092 HD3 -0.10 0.23 -0.60 -0.04 3.65 3.15 1llfB1 GLN 1093 H -0.02 0.16 0.23 -0.55 8.47 8.29 1llfB1 GLN 1093 HA -0.07 0.34 0.82 -0.75 4.36 4.69 1llfB1 GLN 1093 HB2 -0.13 -0.00 -0.27 -0.04 2.15 1.71 1llfB1 GLN 1093 HB3 -0.03 0.07 -0.14 -0.04 2.02 1.88 1llfB1 GLN 1093 HG2 0.00 0.02 0.04 -0.04 2.40 2.43 1llfB1 GLN 1093 HG3 -0.07 -0.07 -0.27 -0.04 2.39 1.93 1llfB1 GLN 1093 HE21 -0.00 -0.02 -0.04 -0.04 6.97 6.86 1llfB1 GLN 1093 HE22 0.01 0.02 -0.01 -0.04 7.69 7.67 1llfB1 SER 1094 H -0.13 0.74 0.05 -0.55 8.46 8.57 1llfB1 SER 1094 HA -0.10 0.01 0.52 -0.75 4.49 4.15 1llfB1 SER 1094 HB2 -0.05 0.14 -0.29 -0.04 3.95 3.71 1llfB1 SER 1094 HB3 -0.07 0.22 -0.26 -0.04 3.93 3.79 1llfB1 GLU 1095 H -0.12 0.13 0.09 -0.55 8.60 8.15 1llfB1 GLU 1095 HA -0.26 0.07 0.65 -0.75 4.29 3.99 1llfB1 GLU 1095 HB2 -0.06 -0.05 0.06 -0.04 2.09 2.00 1llfB1 GLU 1095 HB3 -0.06 0.13 -0.07 -0.04 1.99 1.95 1llfB1 GLU 1095 HG2 -0.40 0.02 0.05 -0.04 2.34 1.98 1llfB1 GLU 1095 HG3 -0.20 -0.06 0.03 -0.04 2.34 2.07 1llfB1 ASP 1096 H -0.06 0.03 -0.19 -0.55 8.40 7.63 1llfB1 ASP 1096 HA -0.05 0.04 0.68 -0.75 4.63 4.55 1llfB1 ASP 1096 HB2 -0.02 -0.05 0.06 -0.04 2.71 2.66 1llfB1 ASP 1096 HB3 -0.03 0.01 0.13 -0.04 2.70 2.77 1llfB1 CYS 1097 H -0.08 0.21 -0.05 -0.55 8.50 8.04 1llfB1 CYS 1097 HA -0.05 0.27 0.59 -0.75 4.58 4.64 1llfB1 CYS 1097 HB2 -0.06 -0.03 -0.33 -0.04 2.97 2.52 1llfB1 CYS 1097 HB3 -0.09 0.29 -0.53 -0.04 2.97 2.59 1llfB1 LEU 1098 H -0.12 0.07 -0.08 -0.55 8.37 7.69 1llfB1 LEU 1098 HA -0.10 0.15 0.44 -0.75 4.35 4.09 1llfB1 LEU 1098 HB2 -0.35 0.03 0.11 -0.04 1.64 1.38 1llfB1 LEU 1098 HB3 -0.99 0.03 0.03 -0.04 1.64 0.67 1llfB1 LEU 1098 HG -0.12 -0.07 -0.04 -0.04 1.64 1.37 1llfB1 LEU 1098 HD13 -0.14 0.04 -0.01 -0.04 0.93 0.79 1llfB1 LEU 1098 HD23 0.02 0.02 -0.21 -0.04 0.89 0.68 1llfB1 THR 1099 H 0.07 0.41 0.28 -0.55 8.28 8.48 1llfB1 THR 1099 HA -0.00 0.28 0.79 -0.75 4.39 4.70 1llfB1 THR 1099 HB 0.00 -0.11 -0.18 -0.04 4.32 3.99 1llfB1 THR 1099 HG23 -0.02 -0.01 -0.50 -0.04 1.22 0.66 1llfB1 ILE 1100 H -0.14 0.67 0.27 -0.55 8.25 8.50 1llfB1 ILE 1100 HA -0.10 0.24 1.06 -0.75 4.18 4.63 1llfB1 ILE 1100 HB -0.61 -0.00 -0.14 -0.04 1.89 1.09 1llfB1 ILE 1100 HG12 -0.46 0.00 -0.15 -0.04 1.49 0.84 1llfB1 ILE 1100 HG13 -0.27 0.05 -0.12 -0.04 1.21 0.83 1llfB1 ILE 1100 HG23 -1.40 0.05 -0.13 -0.04 0.93 -0.59 1llfB1 ILE 1100 HD13 -0.53 -0.00 -0.10 -0.04 0.88 0.21 1llfB1 ASN 1101 H -0.09 0.40 0.26 -0.55 8.53 8.56 1llfB1 ASN 1101 HA -0.06 0.28 1.11 -0.75 4.76 5.33 1llfB1 ASN 1101 HB2 0.16 -0.02 0.14 -0.04 2.88 3.11 1llfB1 ASN 1101 HB3 -0.01 0.02 -0.04 -0.04 2.79 2.73 1llfB1 ASN 1101 HD21 0.18 0.32 0.01 -0.04 7.03 7.50 1llfB1 ASN 1101 HD22 0.19 -0.02 -0.19 -0.04 7.74 7.68 1llfB1 VAL 1102 H 0.03 0.73 0.33 -0.55 8.24 8.77 1llfB1 VAL 1102 HA 0.02 0.28 1.05 -0.75 4.13 4.72 1llfB1 VAL 1102 HB -0.11 -0.05 0.13 -0.04 2.12 2.05 1llfB1 VAL 1102 HG13 -0.16 0.01 -0.22 -0.04 0.97 0.56 1llfB1 VAL 1102 HG23 -0.49 -0.00 -0.21 -0.04 0.95 0.20 1llfB1 VAL 1103 H 0.13 0.81 0.33 -0.55 8.24 8.96 1llfB1 VAL 1103 HA 0.13 0.28 1.14 -0.75 4.13 4.93 1llfB1 VAL 1103 HB 0.07 0.01 0.14 -0.04 2.12 2.29 1llfB1 VAL 1103 HG13 0.01 -0.02 -0.18 -0.04 0.97 0.75 1llfB1 VAL 1103 HG23 0.03 -0.04 -0.24 -0.04 0.95 0.66 1llfB1 ARG 1104 H 0.14 0.68 0.36 -0.55 8.46 9.08 1llfB1 ARG 1104 HA 0.11 0.22 1.00 -0.75 4.34 4.91 1llfB1 ARG 1104 HB2 0.13 0.09 0.05 -0.04 1.90 2.13 1llfB1 ARG 1104 HB3 0.18 -0.06 -0.13 -0.04 1.80 1.74 1llfB1 ARG 1104 HG2 0.25 -0.02 0.07 -0.04 1.67 1.92 1llfB1 ARG 1104 HG3 0.15 0.13 -0.19 -0.04 1.67 1.71 1llfB1 ARG 1104 HD2 0.18 0.13 -0.05 -0.04 3.22 3.44 1llfB1 ARG 1104 HD3 0.34 -0.05 -0.08 -0.04 3.22 3.39 1llfB1 PRO 1105 HA 0.04 0.09 0.44 -0.51 4.44 4.51 1llfB1 PRO 1105 HB2 0.05 0.03 -0.06 -0.04 2.28 2.25 1llfB1 PRO 1105 HB3 0.04 0.03 0.09 -0.04 2.02 2.14 1llfB1 PRO 1105 HG2 0.05 0.02 -0.01 -0.04 2.03 2.05 1llfB1 PRO 1105 HG3 0.05 0.06 0.13 -0.04 2.03 2.23 1llfB1 PRO 1105 HD2 0.07 0.08 0.09 -0.04 3.68 3.88 1llfB1 PRO 1105 HD3 0.08 0.33 0.23 -0.04 3.65 4.25 1llfB1 PRO 1106 HA 0.03 -0.06 0.32 -0.51 4.44 4.22 1llfB1 PRO 1106 HB2 0.02 0.01 0.01 -0.04 2.28 2.28 1llfB1 PRO 1106 HB3 0.02 0.00 0.02 -0.04 2.02 2.02 1llfB1 PRO 1106 HG2 0.01 0.05 0.02 -0.04 2.03 2.07 1llfB1 PRO 1106 HG3 0.01 -0.03 -0.37 -0.04 2.03 1.60 1llfB1 PRO 1106 HD2 0.02 0.09 0.16 -0.04 3.68 3.91 1llfB1 PRO 1106 HD3 0.02 0.25 0.10 -0.04 3.65 3.99 1llfB1 GLY 1107 H 0.04 0.09 0.14 -0.55 8.43 8.15 1llfB1 GLY 1107 HA2 0.03 -0.04 0.28 -0.51 4.01 3.77 1llfB1 GLY 1107 HA3 0.03 0.08 0.30 -0.51 4.01 3.91 1llfB1 THR 1108 H 0.06 0.32 -0.45 -0.55 8.28 7.66 1llfB1 THR 1108 HA 0.05 -0.00 0.37 -0.75 4.39 4.06 1llfB1 THR 1108 HB 0.11 -0.05 0.04 -0.04 4.32 4.37 1llfB1 THR 1108 HG23 0.07 0.01 -0.11 -0.04 1.22 1.15 1llfB1 LYS 1109 H 0.04 0.12 0.20 -0.55 8.42 8.22 1llfB1 LYS 1109 HA 0.04 0.17 0.87 -0.75 4.32 4.65 1llfB1 LYS 1109 HB2 0.02 0.00 0.02 -0.04 1.87 1.87 1llfB1 LYS 1109 HB3 0.01 -0.01 0.07 -0.04 1.79 1.82 1llfB1 LYS 1109 HG2 0.03 0.17 -0.05 -0.04 1.46 1.56 1llfB1 LYS 1109 HG3 0.02 -0.06 -0.00 -0.04 1.46 1.37 1llfB1 LYS 1109 HD2 0.02 -0.06 0.03 -0.04 1.69 1.64 1llfB1 LYS 1109 HD3 0.04 0.14 -0.14 -0.04 1.68 1.68 1llfB1 LYS 1109 HE2 0.02 0.03 -0.04 -0.04 2.99 2.96 1llfB1 LYS 1109 HE3 0.02 -0.06 -0.02 -0.04 2.99 2.88 1llfB1 ALA 1110 H -0.00 0.11 0.11 -0.55 8.40 8.07 1llfB1 ALA 1110 HA -0.01 0.04 0.26 -0.75 4.34 3.87 1llfB1 ALA 1110 HB3 -0.05 0.03 0.14 -0.04 1.41 1.49 1llfB1 GLY 1111 H 0.00 0.29 0.25 -0.55 8.43 8.42 1llfB1 GLY 1111 HA2 -0.00 -0.01 0.34 -0.51 4.01 3.83 1llfB1 GLY 1111 HA3 -0.00 0.17 0.63 -0.51 4.01 4.29 1llfB1 ALA 1112 H 0.02 0.42 -0.26 -0.55 8.40 8.03 1llfB1 ALA 1112 HA 0.02 0.03 0.52 -0.75 4.34 4.15 1llfB1 ALA 1112 HB3 0.03 0.01 0.15 -0.04 1.41 1.56 1llfB1 ASN 1113 H 0.02 -0.12 -0.53 -0.55 8.53 7.35 1llfB1 ASN 1113 HA 0.01 -0.07 -0.19 -0.75 4.76 3.76 1llfB1 ASN 1113 HB2 0.01 0.12 -0.52 -0.04 2.88 2.45 1llfB1 ASN 1113 HB3 0.01 0.00 0.17 -0.04 2.79 2.92 1llfB1 ASN 1113 HD21 0.00 0.05 -0.07 -0.04 7.03 6.97 1llfB1 ASN 1113 HD22 -0.00 -0.07 -0.03 -0.04 7.74 7.60 1llfB1 LEU 1114 H 0.03 0.56 0.02 -0.55 8.37 8.44 1llfB1 LEU 1114 HA 0.02 0.21 0.52 -0.75 4.35 4.34 1llfB1 LEU 1114 HB2 0.04 -0.12 -0.05 -0.04 1.64 1.47 1llfB1 LEU 1114 HB3 0.03 0.15 -0.03 -0.04 1.64 1.75 1llfB1 LEU 1114 HG 0.04 -0.03 -0.12 -0.04 1.64 1.48 1llfB1 LEU 1114 HD13 0.05 -0.05 -0.23 -0.04 0.93 0.67 1llfB1 LEU 1114 HD23 0.02 0.06 -0.10 -0.04 0.89 0.83 1llfB1 PRO 1115 HA -0.00 0.12 0.64 -0.51 4.44 4.69 1llfB1 PRO 1115 HB2 -0.01 -0.11 -0.11 -0.04 2.28 2.01 1llfB1 PRO 1115 HB3 -0.02 0.27 0.09 -0.04 2.02 2.32 1llfB1 PRO 1115 HG2 -0.00 -0.00 0.04 -0.04 2.03 2.02 1llfB1 PRO 1115 HG3 -0.01 0.08 0.17 -0.04 2.03 2.22 1llfB1 PRO 1115 HD2 0.01 0.34 0.29 -0.04 3.68 4.28 1llfB1 PRO 1115 HD3 0.01 0.16 0.28 -0.04 3.65 4.06 1llfB1 VAL 1116 H 0.00 0.75 0.36 -0.55 8.24 8.80 1llfB1 VAL 1116 HA 0.03 0.22 0.95 -0.75 4.13 4.57 1llfB1 VAL 1116 HB 0.02 -0.00 0.07 -0.04 2.12 2.16 1llfB1 VAL 1116 HG13 0.03 -0.03 -0.24 -0.04 0.97 0.70 1llfB1 VAL 1116 HG23 0.03 0.01 -0.22 -0.04 0.95 0.72 1llfB1 MET 1117 H 0.02 0.69 0.29 -0.55 8.47 8.93 1llfB1 MET 1117 HA -0.02 0.29 1.02 -0.75 4.52 5.05 1llfB1 MET 1117 HB2 -0.05 -0.06 0.13 -0.04 2.15 2.14 1llfB1 MET 1117 HB3 -0.47 -0.05 -0.02 -0.04 2.03 1.45 1llfB1 MET 1117 HG2 -0.17 0.06 -0.11 -0.04 2.63 2.37 1llfB1 MET 1117 HG3 -0.06 0.03 -0.23 -0.04 2.56 2.27 1llfB1 MET 1117 HE3 -0.53 0.00 -0.22 -0.04 2.10 1.31 1llfB1 LEU 1118 H 0.12 0.84 0.26 -0.55 8.37 9.05 1llfB1 LEU 1118 HA 0.06 0.22 0.97 -0.75 4.35 4.85 1llfB1 LEU 1118 HB2 0.01 0.01 -0.01 -0.04 1.64 1.62 1llfB1 LEU 1118 HB3 -0.02 -0.06 0.17 -0.04 1.64 1.68 1llfB1 LEU 1118 HG -0.03 -0.02 -0.06 -0.04 1.64 1.49 1llfB1 LEU 1118 HD13 -0.08 0.00 -0.08 -0.04 0.93 0.74 1llfB1 LEU 1118 HD23 -0.14 0.01 -0.23 -0.04 0.89 0.50 1llfB1 TRP 1119 H 0.11 0.71 0.43 -0.55 7.97 8.67 1llfB1 TRP 1119 HA -0.69 0.20 0.62 -0.75 4.62 3.99 1llfB1 TRP 1119 HB2 -0.55 0.02 -0.00 -0.04 3.23 2.65 1llfB1 TRP 1119 HB3 -0.15 0.00 0.14 -0.04 3.23 3.19 1llfB1 TRP 1119 HD1 0.06 -0.03 -0.10 -0.04 7.22 7.10 1llfB1 TRP 1119 HE1 -0.66 -0.06 -0.08 -0.04 10.20 9.36 1llfB1 TRP 1119 HE3 -2.56 0.10 -0.23 -0.04 7.59 4.85 1llfB1 TRP 1119 HZ2 -1.05 -0.08 0.01 -0.04 7.44 6.27 1llfB1 TRP 1119 HZ3 -0.34 -0.01 -0.28 -0.04 7.13 6.46 1llfB1 TRP 1119 HH2 -0.21 -0.12 -0.09 -0.04 7.19 6.74 1llfB1 ILE 1120 H -1.00 0.74 0.45 -0.55 8.25 7.90 1llfB1 ILE 1120 HA -0.49 0.14 0.89 -0.75 4.18 3.97 1llfB1 ILE 1120 HB -0.59 -0.02 0.18 -0.04 1.89 1.42 1llfB1 ILE 1120 HG12 -0.33 0.03 -0.08 -0.04 1.49 1.07 1llfB1 ILE 1120 HG13 -0.35 0.09 -0.17 -0.04 1.21 0.74 1llfB1 ILE 1120 HG23 -0.54 0.02 -0.06 -0.04 0.93 0.30 1llfB1 ILE 1120 HD13 -0.28 -0.01 -0.13 -0.04 0.88 0.43 1llfB1 PHE 1121 H -0.39 0.26 0.04 -0.55 8.34 7.70 1llfB1 PHE 1121 HA -1.19 0.01 0.41 -0.75 4.62 3.09 1llfB1 PHE 1121 HB2 -0.24 0.01 0.00 -0.04 3.15 2.88 1llfB1 PHE 1121 HB3 -0.04 0.06 -0.09 -0.04 3.06 2.96 1llfB1 PHE 1121 HD2 0.01 0.08 -0.28 -0.04 7.28 7.05 1llfB1 PHE 1121 HE2 -0.21 0.05 -0.12 -0.04 7.38 7.06 1llfB1 PHE 1121 HZ -0.64 0.17 -0.15 -0.04 7.32 6.67 1llfB1 GLY 1122 H -0.27 0.17 0.27 -0.55 8.43 8.06 1llfB1 GLY 1122 HA2 -0.24 0.16 0.99 -0.51 4.01 4.41 1llfB1 GLY 1122 HA3 -0.16 0.09 0.53 -0.51 4.01 3.96 1llfB1 GLY 1123 H -0.14 -0.11 0.28 -0.55 8.43 7.90 1llfB1 GLY 1123 HA2 0.05 0.09 0.39 -0.51 4.01 4.03 1llfB1 GLY 1123 HA3 0.18 0.37 0.22 -0.51 4.01 4.26 1llfB1 GLY 1124 H -0.21 0.00 0.27 -0.55 8.43 7.94 1llfB1 GLY 1124 HA2 -0.18 0.09 0.44 -0.51 4.01 3.85 1llfB1 GLY 1124 HA3 -0.28 0.14 0.50 -0.51 4.01 3.86 1llfB1 PHE 1125 H -0.36 -0.12 -0.22 -0.55 8.34 7.09 1llfB1 PHE 1125 HA 0.11 0.07 0.22 -0.75 4.62 4.26 1llfB1 PHE 1125 HB2 -0.11 0.46 0.21 -0.04 3.15 3.68 1llfB1 PHE 1125 HB3 -0.42 -0.05 0.10 -0.04 3.06 2.65 1llfB1 PHE 1125 HD2 -0.25 0.09 -0.09 -0.04 7.28 6.98 1llfB1 PHE 1125 HE2 -0.22 0.05 -0.01 -0.04 7.38 7.16 1llfB1 PHE 1125 HZ -0.20 0.03 0.00 -0.04 7.32 7.12 1llfB1 GLU 1126 H 0.20 0.26 -0.26 -0.55 8.60 8.25 1llfB1 GLU 1126 HA 0.32 -0.01 0.88 -0.75 4.29 4.72 1llfB1 GLU 1126 HB2 0.45 0.03 0.03 -0.04 2.09 2.56 1llfB1 GLU 1126 HB3 0.38 -0.04 0.01 -0.04 1.99 2.30 1llfB1 GLU 1126 HG2 0.48 -0.08 0.00 -0.04 2.34 2.70 1llfB1 GLU 1126 HG3 0.38 0.23 -0.44 -0.04 2.34 2.46 1llfB1 ILE 1127 H 0.25 0.41 0.30 -0.55 8.25 8.66 1llfB1 ILE 1127 HA 0.16 0.20 0.59 -0.75 4.18 4.38 1llfB1 ILE 1127 HB 0.18 -0.03 0.17 -0.04 1.89 2.17 1llfB1 ILE 1127 HG12 0.37 0.06 0.05 -0.04 1.49 1.93 1llfB1 ILE 1127 HG13 0.23 0.01 -0.17 -0.04 1.21 1.23 1llfB1 ILE 1127 HG23 0.27 -0.03 -0.13 -0.04 0.93 0.99 1llfB1 ILE 1127 HD13 0.36 -0.01 -0.01 -0.04 0.88 1.18 1llfB1 GLY 1128 H 0.07 0.14 0.11 -0.55 8.43 8.20 1llfB1 GLY 1128 HA2 -0.01 0.01 0.34 -0.51 4.01 3.84 1llfB1 GLY 1128 HA3 0.11 0.13 0.51 -0.51 4.01 4.25 1llfB1 SER 1129 H -0.37 0.28 0.18 -0.55 8.46 8.00 1llfB1 SER 1129 HA -1.42 0.15 0.33 -0.75 4.49 2.79 1llfB1 SER 1129 HB2 -0.25 0.11 0.17 -0.04 3.95 3.95 1llfB1 SER 1129 HB3 -0.30 0.14 0.00 -0.04 3.93 3.74 1llfB1 PRO 1130 HA 0.35 0.09 0.42 -0.51 4.44 4.79 1llfB1 PRO 1130 HB2 0.19 0.03 -0.11 -0.04 2.28 2.36 1llfB1 PRO 1130 HB3 0.31 0.06 -0.03 -0.04 2.02 2.31 1llfB1 PRO 1130 HG2 0.20 0.13 -0.26 -0.04 2.03 2.05 1llfB1 PRO 1130 HG3 0.34 0.10 -0.28 -0.04 2.03 2.15 1llfB1 PRO 1130 HD2 -0.03 0.18 0.12 -0.04 3.68 3.91 1llfB1 PRO 1130 HD3 -0.10 0.11 0.13 -0.04 3.65 3.75 1llfB1 THR 1131 H -0.25 0.12 -0.39 -0.55 8.28 7.21 1llfB1 THR 1131 HA -1.41 0.06 0.24 -0.75 4.39 2.53 1llfB1 THR 1131 HB -0.29 -0.05 -0.06 -0.04 4.32 3.89 1llfB1 THR 1131 HG23 -0.32 0.02 -0.06 -0.04 1.22 0.83 1llfB1 ILE 1132 H -0.22 0.16 -0.45 -0.55 8.25 7.20 1llfB1 ILE 1132 HA -0.24 0.20 0.52 -0.75 4.18 3.91 1llfB1 ILE 1132 HB -0.32 -0.02 0.13 -0.04 1.89 1.64 1llfB1 ILE 1132 HG12 -0.26 0.01 0.04 -0.04 1.49 1.25 1llfB1 ILE 1132 HG13 -1.17 0.04 -0.14 -0.04 1.21 -0.11 1llfB1 ILE 1132 HG23 -0.20 -0.00 -0.11 -0.04 0.93 0.58 1llfB1 ILE 1132 HD13 -0.16 -0.02 0.02 -0.04 0.88 0.68 1llfB1 PHE 1133 H -0.07 0.39 -0.56 -0.55 8.34 7.56 1llfB1 PHE 1133 HA -0.14 0.14 0.79 -0.75 4.62 4.66 1llfB1 PHE 1133 HB2 0.00 0.05 0.11 -0.04 3.15 3.27 1llfB1 PHE 1133 HB3 -0.55 -0.02 0.04 -0.04 3.06 2.49 1llfB1 PHE 1133 HD2 0.12 0.09 -0.00 -0.04 7.28 7.45 1llfB1 PHE 1133 HE2 0.16 -0.08 0.03 -0.04 7.38 7.44 1llfB1 PHE 1133 HZ 0.19 0.09 0.09 -0.04 7.32 7.64 1llfB1 PRO 1134 HA -0.17 0.11 0.26 -0.51 4.44 4.13 1llfB1 PRO 1134 HB2 -0.30 -0.08 0.07 -0.04 2.28 1.93 1llfB1 PRO 1134 HB3 -0.22 0.04 0.10 -0.04 2.02 1.90 1llfB1 PRO 1134 HG2 -0.95 0.18 0.08 -0.04 2.03 1.29 1llfB1 PRO 1134 HG3 -0.57 0.02 0.04 -0.04 2.03 1.48 1llfB1 PRO 1134 HD2 -0.57 0.10 -0.02 -0.04 3.68 3.15 1llfB1 PRO 1134 HD3 -0.28 0.12 -0.34 -0.04 3.65 3.11 1llfB1 PRO 1135 HA -0.46 0.15 0.54 -0.51 4.44 4.17 1llfB1 PRO 1135 HB2 -0.41 0.01 0.02 -0.04 2.28 1.86 1llfB1 PRO 1135 HB3 -1.71 0.08 0.07 -0.04 2.02 0.41 1llfB1 PRO 1135 HG2 -0.13 -0.01 -0.05 -0.04 2.03 1.81 1llfB1 PRO 1135 HG3 -0.14 0.06 -0.02 -0.04 2.03 1.89 1llfB1 PRO 1135 HD2 -0.07 0.04 0.16 -0.04 3.68 3.77 1llfB1 PRO 1135 HD3 -0.11 0.28 0.13 -0.04 3.65 3.90 1llfB1 ALA 1136 H -0.15 0.15 -0.28 -0.55 8.40 7.57 1llfB1 ALA 1136 HA -0.06 0.09 0.18 -0.75 4.34 3.79 1llfB1 ALA 1136 HB3 -0.07 0.03 -0.00 -0.04 1.41 1.33 1llfB1 GLN 1137 H -0.12 0.22 -0.28 -0.55 8.47 7.75 1llfB1 GLN 1137 HA -0.03 0.03 0.27 -0.75 4.36 3.88 1llfB1 GLN 1137 HB2 -0.07 0.02 -0.15 -0.04 2.15 1.92 1llfB1 GLN 1137 HB3 -0.07 0.19 0.03 -0.04 2.02 2.13 1llfB1 GLN 1137 HG2 0.01 0.08 -0.27 -0.04 2.40 2.17 1llfB1 GLN 1137 HG3 0.00 -0.08 -0.11 -0.04 2.39 2.16 1llfB1 GLN 1137 HE21 0.07 0.04 -0.21 -0.04 6.97 6.82 1llfB1 GLN 1137 HE22 0.12 0.26 -0.37 -0.04 7.69 7.67 1llfB1 MET 1138 H -0.04 0.17 -0.25 -0.55 8.47 7.80 1llfB1 MET 1138 HA 0.03 0.01 0.38 -0.75 4.52 4.19 1llfB1 MET 1138 HB2 0.08 0.03 0.07 -0.04 2.15 2.29 1llfB1 MET 1138 HB3 0.10 0.10 0.08 -0.04 2.03 2.27 1llfB1 MET 1138 HG2 0.18 0.01 -0.09 -0.04 2.63 2.69 1llfB1 MET 1138 HG3 0.08 -0.01 -0.18 -0.04 2.56 2.41 1llfB1 MET 1138 HE3 0.19 0.03 -0.02 -0.04 2.10 2.26 1llfB1 VAL 1139 H -0.00 0.46 -0.12 -0.55 8.24 8.03 1llfB1 VAL 1139 HA 0.05 0.08 0.40 -0.75 4.13 3.91 1llfB1 VAL 1139 HB 0.00 -0.02 0.05 -0.04 2.12 2.11 1llfB1 VAL 1139 HG13 0.04 0.03 -0.20 -0.04 0.97 0.80 1llfB1 VAL 1139 HG23 0.05 0.04 -0.04 -0.04 0.95 0.96 1llfB1 THR 1140 H -0.00 0.64 -0.08 -0.55 8.28 8.29 1llfB1 THR 1140 HA 0.01 0.06 0.47 -0.75 4.39 4.17 1llfB1 THR 1140 HB -0.01 0.08 0.12 -0.04 4.32 4.47 1llfB1 THR 1140 HG23 0.00 -0.03 -0.08 -0.04 1.22 1.07 1llfB1 LYS 1141 H 0.01 0.53 -0.22 -0.55 8.42 8.19 1llfB1 LYS 1141 HA 0.01 -0.02 0.45 -0.75 4.32 4.00 1llfB1 LYS 1141 HB2 0.01 0.00 0.09 -0.04 1.87 1.93 1llfB1 LYS 1141 HB3 0.01 0.13 0.08 -0.04 1.79 1.97 1llfB1 LYS 1141 HG2 -0.00 -0.12 -0.08 -0.04 1.46 1.22 1llfB1 LYS 1141 HG3 0.01 0.05 -0.25 -0.04 1.46 1.23 1llfB1 LYS 1141 HD2 -0.00 -0.00 -0.04 -0.04 1.69 1.61 1llfB1 LYS 1141 HD3 0.00 -0.00 0.07 -0.04 1.68 1.71 1llfB1 LYS 1141 HE2 0.00 0.03 -0.03 -0.04 2.99 2.95 1llfB1 LYS 1141 HE3 -0.00 -0.07 -0.05 -0.04 2.99 2.83 1llfB1 SER 1142 H 0.02 0.53 -0.28 -0.55 8.46 8.19 1llfB1 SER 1142 HA 0.02 0.01 0.26 -0.75 4.49 4.03 1llfB1 SER 1142 HB2 0.03 0.33 0.07 -0.04 3.95 4.33 1llfB1 SER 1142 HB3 0.03 0.09 0.12 -0.04 3.93 4.13 1llfB1 VAL 1143 H 0.02 0.46 -0.24 -0.55 8.24 7.92 1llfB1 VAL 1143 HA 0.02 0.04 0.47 -0.75 4.13 3.90 1llfB1 VAL 1143 HB 0.01 0.10 0.17 -0.04 2.12 2.36 1llfB1 VAL 1143 HG13 0.01 -0.01 -0.08 -0.04 0.97 0.85 1llfB1 VAL 1143 HG23 0.02 0.05 0.09 -0.04 0.95 1.07 1llfB1 LEU 1144 H 0.01 0.53 -0.07 -0.55 8.37 8.29 1llfB1 LEU 1144 HA 0.01 -0.01 0.46 -0.75 4.35 4.05 1llfB1 LEU 1144 HB2 0.01 0.12 0.18 -0.04 1.64 1.90 1llfB1 LEU 1144 HB3 0.01 -0.06 -0.04 -0.04 1.64 1.51 1llfB1 LEU 1144 HG 0.01 0.09 0.06 -0.04 1.64 1.75 1llfB1 LEU 1144 HD13 0.00 -0.04 -0.05 -0.04 0.93 0.81 1llfB1 LEU 1144 HD23 0.00 -0.02 0.03 -0.04 0.89 0.86 1llfB1 MET 1145 H 0.01 0.46 -0.42 -0.55 8.47 7.97 1llfB1 MET 1145 HA 0.01 0.02 0.49 -0.75 4.52 4.29 1llfB1 MET 1145 HB2 0.01 0.12 0.03 -0.04 2.15 2.28 1llfB1 MET 1145 HB3 0.01 -0.01 0.02 -0.04 2.03 2.01 1llfB1 MET 1145 HG2 0.01 -0.05 -0.01 -0.04 2.63 2.54 1llfB1 MET 1145 HG3 0.01 0.17 -0.02 -0.04 2.56 2.68 1llfB1 MET 1145 HE3 0.02 0.06 -0.00 -0.04 2.10 2.14 1llfB1 GLY 1146 H 0.01 0.45 -0.52 -0.55 8.43 7.82 1llfB1 GLY 1146 HA2 0.01 -0.01 0.34 -0.51 4.01 3.85 1llfB1 GLY 1146 HA3 0.01 0.03 0.63 -0.51 4.01 4.16 1llfB1 LYS 1147 H 0.02 0.35 -0.28 -0.55 8.42 7.96 1llfB1 LYS 1147 HA 0.01 0.18 0.70 -0.75 4.32 4.46 1llfB1 LYS 1147 HB2 0.02 -0.09 -0.02 -0.04 1.87 1.73 1llfB1 LYS 1147 HB3 0.01 0.00 0.01 -0.04 1.79 1.77 1llfB1 LYS 1147 HG2 0.01 0.08 -0.11 -0.04 1.46 1.39 1llfB1 LYS 1147 HG3 0.01 0.12 -0.48 -0.04 1.46 1.07 1llfB1 LYS 1147 HD2 0.02 -0.09 -0.17 -0.04 1.69 1.41 1llfB1 LYS 1147 HD3 0.01 -0.03 -0.09 -0.04 1.68 1.53 1llfB1 LYS 1147 HE2 0.02 0.09 -0.08 -0.04 2.99 2.97 1llfB1 LYS 1147 HE3 0.02 -0.09 -0.20 -0.04 2.99 2.69 1llfB1 PRO 1148 HA 0.03 -0.10 0.07 -0.51 4.44 3.93 1llfB1 PRO 1148 HB2 0.03 0.04 -0.10 -0.04 2.28 2.21 1llfB1 PRO 1148 HB3 0.03 -0.04 0.01 -0.04 2.02 1.98 1llfB1 PRO 1148 HG2 0.02 0.07 0.01 -0.04 2.03 2.09 1llfB1 PRO 1148 HG3 0.02 -0.00 -0.01 -0.04 2.03 2.00 1llfB1 PRO 1148 HD2 0.02 0.22 -0.17 -0.04 3.68 3.70 1llfB1 PRO 1148 HD3 0.02 0.02 -0.20 -0.04 3.65 3.45 1llfB1 ILE 1149 H 0.04 0.08 0.21 -0.55 8.25 8.03 1llfB1 ILE 1149 HA 0.03 0.35 0.85 -0.75 4.18 4.66 1llfB1 ILE 1149 HB 0.03 0.03 -0.09 -0.04 1.89 1.81 1llfB1 ILE 1149 HG12 0.03 -0.02 -0.13 -0.04 1.49 1.33 1llfB1 ILE 1149 HG13 0.05 -0.07 0.00 -0.04 1.21 1.15 1llfB1 ILE 1149 HG23 0.01 0.07 -0.23 -0.04 0.93 0.73 1llfB1 ILE 1149 HD13 0.10 -0.04 -0.44 -0.04 0.88 0.46 1llfB1 ILE 1150 H 0.05 0.69 0.25 -0.55 8.25 8.70 1llfB1 ILE 1150 HA 0.10 0.19 1.00 -0.75 4.18 4.71 1llfB1 ILE 1150 HB 0.06 0.02 0.02 -0.04 1.89 1.95 1llfB1 ILE 1150 HG12 0.10 -0.02 -0.10 -0.04 1.49 1.42 1llfB1 ILE 1150 HG13 0.07 0.03 -0.27 -0.04 1.21 1.00 1llfB1 ILE 1150 HG23 0.07 -0.03 -0.33 -0.04 0.93 0.61 1llfB1 ILE 1150 HD13 0.09 -0.00 -0.44 -0.04 0.88 0.49 1llfB1 HIS 1151 H 0.19 0.72 0.35 -0.55 8.41 9.12 1llfB1 HIS 1151 HA 0.14 0.28 0.94 -0.75 4.63 5.24 1llfB1 HIS 1151 HB2 0.09 -0.00 0.05 -0.04 3.26 3.35 1llfB1 HIS 1151 HB3 0.08 -0.04 0.24 -0.04 3.20 3.44 1llfB1 HIS 1151 HD2 0.16 -0.02 -0.02 -0.04 6.97 7.05 1llfB1 HIS 1151 HE1 0.03 -0.03 -0.10 -0.04 7.75 7.60 1llfB1 VAL 1152 H -0.00 0.71 0.41 -0.55 8.24 8.81 1llfB1 VAL 1152 HA 0.10 0.37 1.16 -0.75 4.13 5.01 1llfB1 VAL 1152 HB 0.03 -0.03 0.09 -0.04 2.12 2.16 1llfB1 VAL 1152 HG13 -0.03 -0.01 -0.21 -0.04 0.97 0.68 1llfB1 VAL 1152 HG23 0.02 -0.00 -0.23 -0.04 0.95 0.69 1llfB1 ALA 1153 H 0.14 0.61 0.33 -0.55 8.40 8.94 1llfB1 ALA 1153 HA 0.21 0.34 1.11 -0.75 4.34 5.25 1llfB1 ALA 1153 HB3 0.44 -0.02 0.04 -0.04 1.41 1.82 1llfB1 VAL 1154 H 0.05 0.44 0.25 -0.55 8.24 8.43 1llfB1 VAL 1154 HA -0.06 0.08 0.92 -0.75 4.13 4.32 1llfB1 VAL 1154 HB -0.21 -0.02 -0.01 -0.04 2.12 1.84 1llfB1 VAL 1154 HG13 -0.11 0.03 0.03 -0.04 0.97 0.88 1llfB1 VAL 1154 HG23 -0.36 0.06 -0.04 -0.04 0.95 0.56 1llfB1 ASN 1155 H 0.19 0.63 0.39 -0.55 8.53 9.20 1llfB1 ASN 1155 HA 0.43 0.02 0.84 -0.75 4.76 5.30 1llfB1 ASN 1155 HB2 0.16 0.05 0.23 -0.04 2.88 3.27 1llfB1 ASN 1155 HB3 0.18 -0.04 0.17 -0.04 2.79 3.06 1llfB1 ASN 1155 HD21 0.02 0.29 0.14 -0.04 7.03 7.44 1llfB1 ASN 1155 HD22 -0.04 -0.24 0.15 -0.04 7.74 7.58 1llfB1 TYR 1156 H 0.19 0.24 0.15 -0.55 8.29 8.31 1llfB1 TYR 1156 HA 0.14 0.09 0.53 -0.75 4.56 4.56 1llfB1 TYR 1156 HB2 0.05 0.08 0.15 -0.04 3.06 3.30 1llfB1 TYR 1156 HB3 0.03 0.09 -0.25 -0.04 2.98 2.82 1llfB1 TYR 1156 HD2 -0.05 0.17 -0.25 -0.04 7.15 6.98 1llfB1 TYR 1156 HE2 -0.67 -0.07 -0.13 -0.04 6.85 5.94 1llfB1 ARG 1157 H 0.19 0.16 0.08 -0.55 8.46 8.34 1llfB1 ARG 1157 HA 0.08 0.03 0.47 -0.75 4.34 4.17 1llfB1 ARG 1157 HB2 0.08 -0.01 -0.05 -0.04 1.90 1.88 1llfB1 ARG 1157 HB3 0.17 -0.03 -0.37 -0.04 1.80 1.54 1llfB1 ARG 1157 HG2 0.04 -0.02 -0.02 -0.04 1.67 1.62 1llfB1 ARG 1157 HG3 0.05 -0.04 -0.03 -0.04 1.67 1.60 1llfB1 ARG 1157 HD2 0.10 0.19 -0.13 -0.04 3.22 3.35 1llfB1 ARG 1157 HD3 0.03 0.04 0.02 -0.04 3.22 3.27 1llfB1 VAL 1158 H 0.17 0.17 0.10 -0.55 8.24 8.13 1llfB1 VAL 1158 HA 0.56 0.20 0.69 -0.75 4.13 4.82 1llfB1 VAL 1158 HB 0.32 -0.12 -0.52 -0.04 2.12 1.75 1llfB1 VAL 1158 HG13 0.16 0.07 -0.40 -0.04 0.97 0.77 1llfB1 VAL 1158 HG23 0.17 -0.01 -0.32 -0.04 0.95 0.74 1llfB1 ALA 1159 H 0.40 0.77 0.28 -0.55 8.40 9.30 1llfB1 ALA 1159 HA -0.02 0.15 0.37 -0.75 4.34 4.08 1llfB1 ALA 1159 HB3 0.19 0.06 0.07 -0.04 1.41 1.69 1llfB1 SER 1160 H -0.87 0.19 0.14 -0.55 8.46 7.37 1llfB1 SER 1160 HA -0.70 0.08 0.28 -0.75 4.49 3.40 1llfB1 SER 1160 HB2 -1.45 0.03 -0.01 -0.04 3.95 2.49 1llfB1 SER 1160 HB3 -1.17 0.05 0.07 -0.04 3.93 2.85 1llfB1 TRP 1161 H 0.10 0.17 -0.16 -0.55 7.97 7.54 1llfB1 TRP 1161 HA 0.17 0.07 0.34 -0.75 4.62 4.44 1llfB1 TRP 1161 HB2 0.01 0.11 0.06 -0.04 3.23 3.37 1llfB1 TRP 1161 HB3 -0.02 0.02 0.07 -0.04 3.23 3.26 1llfB1 TRP 1161 HD1 -0.06 0.06 0.02 -0.04 7.22 7.19 1llfB1 TRP 1161 HE1 0.06 -0.01 -0.04 -0.04 10.20 10.17 1llfB1 TRP 1161 HE3 -0.02 0.29 0.01 -0.04 7.59 7.82 1llfB1 TRP 1161 HZ2 0.09 -0.02 -0.23 -0.04 7.44 7.23 1llfB1 TRP 1161 HZ3 0.01 -0.00 -0.28 -0.04 7.13 6.82 1llfB1 TRP 1161 HH2 0.07 0.04 -0.14 -0.04 7.19 7.12 1llfB1 GLY 1162 H 0.23 0.32 -0.81 -0.55 8.43 7.64 1llfB1 GLY 1162 HA2 -0.04 0.17 0.62 -0.51 4.01 4.25 1llfB1 GLY 1162 HA3 -0.02 0.16 -0.29 -0.51 4.01 3.35 1llfB1 PHE 1163 H 0.12 0.46 -0.17 -0.55 8.34 8.20 1llfB1 PHE 1163 HA 0.07 0.04 0.80 -0.75 4.62 4.78 1llfB1 PHE 1163 HB2 0.19 0.08 -0.06 -0.04 3.15 3.31 1llfB1 PHE 1163 HB3 0.06 -0.02 0.08 -0.04 3.06 3.14 1llfB1 PHE 1163 HD2 0.10 0.02 -0.18 -0.04 7.28 7.17 1llfB1 PHE 1163 HE2 0.18 0.04 -0.06 -0.04 7.38 7.50 1llfB1 PHE 1163 HZ 0.05 0.01 -0.17 -0.04 7.32 7.17 1llfB1 LEU 1164 H 0.04 0.22 -0.07 -0.55 8.37 8.01 1llfB1 LEU 1164 HA 0.03 0.01 0.59 -0.75 4.35 4.23 1llfB1 LEU 1164 HB2 -0.30 0.28 0.18 -0.04 1.64 1.75 1llfB1 LEU 1164 HB3 -0.23 0.01 0.01 -0.04 1.64 1.38 1llfB1 LEU 1164 HG -0.07 0.09 0.01 -0.04 1.64 1.64 1llfB1 LEU 1164 HD13 -0.26 -0.02 0.05 -0.04 0.93 0.66 1llfB1 LEU 1164 HD23 -0.70 -0.01 -0.06 -0.04 0.89 0.07 1llfB1 ALA 1165 H -0.01 0.12 0.20 -0.55 8.40 8.16 1llfB1 ALA 1165 HA -0.07 0.14 0.80 -0.75 4.34 4.45 1llfB1 ALA 1165 HB3 -0.02 0.05 0.13 -0.04 1.41 1.52 1llfB1 GLY 1166 H -0.09 0.55 0.16 -0.55 8.43 8.50 1llfB1 GLY 1166 HA2 -0.11 0.08 0.21 -0.51 4.01 3.68 1llfB1 GLY 1166 HA3 -0.33 0.12 0.61 -0.51 4.01 3.90 1llfB1 ASP 1167 H -0.15 0.21 0.16 -0.55 8.40 8.07 1llfB1 ASP 1167 HA -0.08 0.08 0.27 -0.75 4.63 4.13 1llfB1 ASP 1167 HB2 -0.06 -0.01 0.12 -0.04 2.71 2.72 1llfB1 ASP 1167 HB3 -0.05 0.06 -0.00 -0.04 2.70 2.66 1llfB1 ASP 1168 H -0.34 0.11 -0.17 -0.55 8.40 7.45 1llfB1 ASP 1168 HA -0.07 0.13 0.41 -0.75 4.63 4.34 1llfB1 ASP 1168 HB2 -0.32 0.03 0.03 -0.04 2.71 2.41 1llfB1 ASP 1168 HB3 -0.03 0.03 -0.03 -0.04 2.70 2.62 1llfB1 ILE 1169 H -0.35 0.12 -0.37 -0.55 8.25 7.10 1llfB1 ILE 1169 HA -0.07 0.11 0.26 -0.75 4.18 3.73 1llfB1 ILE 1169 HB -0.20 0.01 -0.32 -0.04 1.89 1.33 1llfB1 ILE 1169 HG12 -0.29 -0.15 -0.15 -0.04 1.49 0.85 1llfB1 ILE 1169 HG13 -0.20 0.06 -0.41 -0.04 1.21 0.63 1llfB1 ILE 1169 HG23 -0.05 0.08 -0.39 -0.04 0.93 0.54 1llfB1 ILE 1169 HD13 -0.08 0.04 -0.12 -0.04 0.88 0.68 1llfB1 LYS 1170 H -0.12 0.47 -0.31 -0.55 8.42 7.90 1llfB1 LYS 1170 HA -0.04 -0.01 0.37 -0.75 4.32 3.89 1llfB1 LYS 1170 HB2 -0.06 -0.10 -0.02 -0.04 1.87 1.65 1llfB1 LYS 1170 HB3 -0.06 0.08 0.08 -0.04 1.79 1.85 1llfB1 LYS 1170 HG2 -0.04 -0.03 -0.06 -0.04 1.46 1.29 1llfB1 LYS 1170 HG3 -0.03 0.08 -0.24 -0.04 1.46 1.22 1llfB1 LYS 1170 HD2 -0.04 0.00 0.08 -0.04 1.69 1.69 1llfB1 LYS 1170 HD3 -0.03 -0.21 -0.01 -0.04 1.68 1.38 1llfB1 LYS 1170 HE2 -0.03 0.17 0.02 -0.04 2.99 3.10 1llfB1 LYS 1170 HE3 -0.03 -0.12 -0.19 -0.04 2.99 2.61 1llfB1 ALA 1171 H -0.06 0.48 -0.23 -0.55 8.40 8.05 1llfB1 ALA 1171 HA -0.02 0.04 0.31 -0.75 4.34 3.91 1llfB1 ALA 1171 HB3 -0.02 -0.01 0.10 -0.04 1.41 1.44 1llfB1 GLU 1172 H -0.02 0.36 -0.36 -0.55 8.60 8.03 1llfB1 GLU 1172 HA 0.01 0.06 0.58 -0.75 4.29 4.19 1llfB1 GLU 1172 HB2 0.01 -0.03 0.06 -0.04 2.09 2.09 1llfB1 GLU 1172 HB3 0.01 0.01 0.03 -0.04 1.99 2.00 1llfB1 GLU 1172 HG2 0.04 0.03 -0.03 -0.04 2.34 2.34 1llfB1 GLU 1172 HG3 0.03 -0.04 0.05 -0.04 2.34 2.34 1llfB1 GLY 1173 H -0.01 0.40 -0.33 -0.55 8.43 7.94 1llfB1 GLY 1173 HA2 -0.01 -0.02 0.34 -0.51 4.01 3.81 1llfB1 GLY 1173 HA3 0.01 0.12 0.68 -0.51 4.01 4.31 1llfB1 SER 1174 H 0.00 0.43 -0.01 -0.55 8.46 8.34 1llfB1 SER 1174 HA 0.05 0.19 0.58 -0.75 4.49 4.56 1llfB1 SER 1174 HB2 0.03 -0.10 0.02 -0.04 3.95 3.86 1llfB1 SER 1174 HB3 0.08 0.32 0.11 -0.04 3.93 4.40 1llfB1 GLY 1175 H 0.01 0.07 -0.35 -0.55 8.43 7.62 1llfB1 GLY 1175 HA2 0.01 0.11 0.36 -0.51 4.01 3.98 1llfB1 GLY 1175 HA3 0.01 -0.07 0.25 -0.51 4.01 3.70 1llfB1 ASN 1176 H 0.05 0.19 0.18 -0.55 8.53 8.41 1llfB1 ASN 1176 HA 0.03 0.04 0.38 -0.75 4.76 4.45 1llfB1 ASN 1176 HB2 0.25 0.18 -0.24 -0.04 2.88 3.03 1llfB1 ASN 1176 HB3 0.27 -0.09 0.15 -0.04 2.79 3.09 1llfB1 ASN 1176 HD21 0.07 -0.05 -0.14 -0.04 7.03 6.87 1llfB1 ASN 1176 HD22 0.05 0.55 0.09 -0.04 7.74 8.38 1llfB1 ALA 1177 H -0.13 0.22 -0.10 -0.55 8.40 7.85 1llfB1 ALA 1177 HA 0.01 0.07 0.21 -0.75 4.34 3.88 1llfB1 ALA 1177 HB3 -0.02 0.09 -0.01 -0.04 1.41 1.43 1llfB1 GLY 1178 H -0.78 0.60 -0.05 -0.55 8.43 7.65 1llfB1 GLY 1178 HA2 0.03 -0.07 0.45 -0.51 4.01 3.91 1llfB1 GLY 1178 HA3 -0.12 0.24 0.31 -0.51 4.01 3.93 1llfB1 LEU 1179 H -0.10 0.20 -0.27 -0.55 8.37 7.66 1llfB1 LEU 1179 HA -0.20 0.05 0.55 -0.75 4.35 4.00 1llfB1 LEU 1179 HB2 0.05 0.15 0.08 -0.04 1.64 1.88 1llfB1 LEU 1179 HB3 -0.53 0.03 -0.05 -0.04 1.64 1.05 1llfB1 LEU 1179 HG 0.28 -0.06 -0.01 -0.04 1.64 1.80 1llfB1 LEU 1179 HD13 0.12 -0.00 -0.03 -0.04 0.93 0.97 1llfB1 LEU 1179 HD23 -0.25 0.02 -0.03 -0.04 0.89 0.58 1llfB1 LYS 1180 H -0.02 0.49 -0.15 -0.55 8.42 8.19 1llfB1 LYS 1180 HA -0.10 0.03 0.54 -0.75 4.32 4.03 1llfB1 LYS 1180 HB2 0.07 0.20 0.19 -0.04 1.87 2.29 1llfB1 LYS 1180 HB3 0.11 -0.02 0.08 -0.04 1.79 1.92 1llfB1 LYS 1180 HG2 0.42 -0.06 0.03 -0.04 1.46 1.81 1llfB1 LYS 1180 HG3 0.36 0.02 0.01 -0.04 1.46 1.81 1llfB1 LYS 1180 HD2 0.13 0.07 -0.19 -0.04 1.69 1.66 1llfB1 LYS 1180 HD3 0.15 -0.06 0.01 -0.04 1.68 1.75 1llfB1 LYS 1180 HE2 0.21 -0.09 -0.00 -0.04 2.99 3.07 1llfB1 LYS 1180 HE3 0.28 -0.07 -0.04 -0.04 2.99 3.12 1llfB1 ASP 1181 H 0.02 0.54 -0.10 -0.55 8.40 8.32 1llfB1 ASP 1181 HA 0.20 0.04 0.51 -0.75 4.63 4.62 1llfB1 ASP 1181 HB2 0.18 0.13 0.25 -0.04 2.71 3.23 1llfB1 ASP 1181 HB3 0.30 0.07 0.09 -0.04 2.70 3.12 1llfB1 GLN 1182 H -0.04 0.43 -0.20 -0.55 8.47 8.11 1llfB1 GLN 1182 HA -0.13 0.03 0.36 -0.75 4.36 3.88 1llfB1 GLN 1182 HB2 -0.10 0.18 0.15 -0.04 2.15 2.35 1llfB1 GLN 1182 HB3 -0.19 -0.03 -0.04 -0.04 2.02 1.73 1llfB1 GLN 1182 HG2 -0.36 -0.02 -0.05 -0.04 2.40 1.93 1llfB1 GLN 1182 HG3 -0.35 0.20 0.07 -0.04 2.39 2.26 1llfB1 GLN 1182 HE21 -2.45 0.00 -0.16 -0.04 6.97 4.33 1llfB1 GLN 1182 HE22 -0.72 -0.07 -0.11 -0.04 7.69 6.76 1llfB1 ARG 1183 H -0.16 0.54 -0.20 -0.55 8.46 8.09 1llfB1 ARG 1183 HA -0.29 0.04 0.38 -0.75 4.34 3.72 1llfB1 ARG 1183 HB2 -0.50 0.09 0.12 -0.04 1.90 1.57 1llfB1 ARG 1183 HB3 -0.16 0.06 0.09 -0.04 1.80 1.75 1llfB1 ARG 1183 HG2 -0.14 -0.01 -0.03 -0.04 1.67 1.45 1llfB1 ARG 1183 HG3 -0.14 -0.04 -0.02 -0.04 1.67 1.43 1llfB1 ARG 1183 HD2 -0.27 -0.02 0.01 -0.04 3.22 2.90 1llfB1 ARG 1183 HD3 -0.76 -0.02 -0.02 -0.04 3.22 2.38 1llfB1 LEU 1184 H -0.02 0.63 -0.17 -0.55 8.37 8.27 1llfB1 LEU 1184 HA -0.01 0.01 0.52 -0.75 4.35 4.12 1llfB1 LEU 1184 HB2 0.12 0.05 0.09 -0.04 1.64 1.86 1llfB1 LEU 1184 HB3 0.28 0.10 0.12 -0.04 1.64 2.10 1llfB1 LEU 1184 HG 0.38 -0.01 -0.18 -0.04 1.64 1.78 1llfB1 LEU 1184 HD13 0.14 -0.02 0.03 -0.04 0.93 1.04 1llfB1 LEU 1184 HD23 0.22 0.01 -0.21 -0.04 0.89 0.87 1llfB1 GLY 1185 H -0.20 0.56 -0.25 -0.55 8.43 8.00 1llfB1 GLY 1185 HA2 -0.65 -0.02 0.46 -0.51 4.01 3.29 1llfB1 GLY 1185 HA3 -0.61 0.07 0.28 -0.51 4.01 3.24 1llfB1 MET 1186 H -0.22 0.54 -0.17 -0.55 8.47 8.07 1llfB1 MET 1186 HA -0.10 0.01 0.50 -0.75 4.52 4.18 1llfB1 MET 1186 HB2 -0.20 0.13 0.17 -0.04 2.15 2.21 1llfB1 MET 1186 HB3 -0.09 0.05 0.03 -0.04 2.03 1.98 1llfB1 MET 1186 HG2 -0.22 -0.03 -0.01 -0.04 2.63 2.33 1llfB1 MET 1186 HG3 -0.31 0.13 0.03 -0.04 2.56 2.37 1llfB1 MET 1186 HE3 0.02 0.02 -0.07 -0.04 2.10 2.03 1llfB1 GLN 1187 H -0.18 0.53 -0.19 -0.55 8.47 8.10 1llfB1 GLN 1187 HA -0.43 0.06 0.52 -0.75 4.36 3.75 1llfB1 GLN 1187 HB2 -0.21 0.14 0.21 -0.04 2.15 2.25 1llfB1 GLN 1187 HB3 -0.72 -0.08 0.05 -0.04 2.02 1.24 1llfB1 GLN 1187 HG2 -1.31 -0.05 0.03 -0.04 2.40 1.03 1llfB1 GLN 1187 HG3 -0.36 0.17 0.07 -0.04 2.39 2.23 1llfB1 GLN 1187 HE21 0.06 -0.04 -0.02 -0.04 6.97 6.93 1llfB1 GLN 1187 HE22 -0.08 0.04 -0.02 -0.04 7.69 7.60 1llfB1 TRP 1188 H 0.09 0.59 -0.19 -0.55 7.97 7.92 1llfB1 TRP 1188 HA -0.00 -0.02 0.40 -0.75 4.62 4.25 1llfB1 TRP 1188 HB2 -0.06 0.08 0.12 -0.04 3.23 3.33 1llfB1 TRP 1188 HB3 -0.21 0.18 0.15 -0.04 3.23 3.31 1llfB1 TRP 1188 HD1 0.10 0.04 0.04 -0.04 7.22 7.36 1llfB1 TRP 1188 HE1 0.03 0.02 -0.05 -0.04 10.20 10.16 1llfB1 TRP 1188 HE3 -0.15 0.12 -0.42 -0.04 7.59 7.10 1llfB1 TRP 1188 HZ2 0.01 -0.01 -0.14 -0.04 7.44 7.26 1llfB1 TRP 1188 HZ3 -0.33 0.00 -0.22 -0.04 7.13 6.53 1llfB1 TRP 1188 HH2 -0.38 0.00 -0.19 -0.04 7.19 6.58 1llfB1 VAL 1189 H 0.18 0.56 -0.26 -0.55 8.24 8.18 1llfB1 VAL 1189 HA 0.10 -0.07 0.39 -0.75 4.13 3.79 1llfB1 VAL 1189 HB 0.04 0.23 0.18 -0.04 2.12 2.53 1llfB1 VAL 1189 HG13 0.03 -0.01 -0.15 -0.04 0.97 0.80 1llfB1 VAL 1189 HG23 0.14 0.02 -0.04 -0.04 0.95 1.03 1llfB1 ALA 1190 H 0.01 0.56 -0.14 -0.55 8.40 8.28 1llfB1 ALA 1190 HA 0.03 0.02 0.40 -0.75 4.34 4.04 1llfB1 ALA 1190 HB3 0.15 0.05 0.12 -0.04 1.41 1.69 1llfB1 ASP 1191 H -0.04 0.45 -0.35 -0.55 8.40 7.91 1llfB1 ASP 1191 HA -0.03 0.07 0.40 -0.75 4.63 4.32 1llfB1 ASP 1191 HB2 -0.15 0.07 0.10 -0.04 2.71 2.70 1llfB1 ASP 1191 HB3 -0.09 -0.13 0.03 -0.04 2.70 2.47 1llfB1 ASN 1192 H -0.36 0.50 -0.10 -0.55 8.53 8.01 1llfB1 ASN 1192 HA -0.30 0.08 0.88 -0.75 4.76 4.67 1llfB1 ASN 1192 HB2 -1.92 0.19 -0.01 -0.04 2.88 1.11 1llfB1 ASN 1192 HB3 -0.76 -0.09 0.02 -0.04 2.79 1.93 1llfB1 ASN 1192 HD21 -0.64 -0.05 -0.01 -0.04 7.03 6.30 1llfB1 ASN 1192 HD22 -1.46 0.31 0.13 -0.04 7.74 6.67 1llfB1 ILE 1193 H -0.15 0.69 0.08 -0.55 8.25 8.32 1llfB1 ILE 1193 HA 0.10 0.03 0.15 -0.75 4.18 3.71 1llfB1 ILE 1193 HB -0.02 0.07 0.09 -0.04 1.89 1.99 1llfB1 ILE 1193 HG12 0.02 0.06 -0.16 -0.04 1.49 1.37 1llfB1 ILE 1193 HG13 0.04 -0.13 -0.09 -0.04 1.21 1.00 1llfB1 ILE 1193 HG23 0.01 0.04 -0.34 -0.04 0.93 0.59 1llfB1 ILE 1193 HD13 -0.12 -0.00 -0.13 -0.04 0.88 0.59 1llfB1 ALA 1194 H -0.03 0.20 -0.35 -0.55 8.40 7.68 1llfB1 ALA 1194 HA 0.01 0.42 0.48 -0.75 4.34 4.50 1llfB1 ALA 1194 HB3 -0.03 0.02 0.08 -0.04 1.41 1.43 1llfB1 GLY 1195 H -0.04 0.35 -0.29 -0.55 8.43 7.90 1llfB1 GLY 1195 HA2 -0.10 -0.00 0.35 -0.51 4.01 3.75 1llfB1 GLY 1195 HA3 -0.21 0.28 0.38 -0.51 4.01 3.95 1llfB1 PHE 1196 H 0.15 0.37 -0.55 -0.55 8.34 7.75 1llfB1 PHE 1196 HA -0.14 0.15 0.67 -0.75 4.62 4.54 1llfB1 PHE 1196 HB2 -0.05 0.09 -0.04 -0.04 3.15 3.11 1llfB1 PHE 1196 HB3 -0.08 -0.02 -0.03 -0.04 3.06 2.88 1llfB1 PHE 1196 HD2 -0.48 0.06 -0.10 -0.04 7.28 6.73 1llfB1 PHE 1196 HE2 -0.59 -0.01 -0.18 -0.04 7.38 6.56 1llfB1 PHE 1196 HZ 0.06 -0.03 -0.19 -0.04 7.32 7.11 1llfB1 GLY 1197 H 0.05 0.41 -0.15 -0.55 8.43 8.19 1llfB1 GLY 1197 HA2 0.04 -0.21 0.42 -0.51 4.01 3.75 1llfB1 GLY 1197 HA3 0.07 0.25 0.69 -0.51 4.01 4.51 1llfB1 GLY 1198 H 0.09 0.32 0.00 -0.55 8.43 8.29 1llfB1 GLY 1198 HA2 0.04 0.28 0.66 -0.51 4.01 4.48 1llfB1 GLY 1198 HA3 0.05 0.02 0.04 -0.51 4.01 3.61 1llfB1 ASP 1199 H 0.02 0.83 -0.03 -0.55 8.40 8.67 1llfB1 ASP 1199 HA 0.01 0.14 0.75 -0.75 4.63 4.78 1llfB1 ASP 1199 HB2 0.01 0.06 -0.21 -0.04 2.71 2.52 1llfB1 ASP 1199 HB3 0.01 0.09 -0.09 -0.04 2.70 2.66 1llfB1 PRO 1200 HA 0.01 0.08 0.22 -0.51 4.44 4.24 1llfB1 PRO 1200 HB2 0.02 0.08 0.03 -0.04 2.28 2.36 1llfB1 PRO 1200 HB3 0.00 0.09 0.10 -0.04 2.02 2.17 1llfB1 PRO 1200 HG2 -0.00 0.01 0.04 -0.04 2.03 2.04 1llfB1 PRO 1200 HG3 -0.01 0.09 0.09 -0.04 2.03 2.16 1llfB1 PRO 1200 HD2 -0.00 0.07 0.23 -0.04 3.68 3.93 1llfB1 PRO 1200 HD3 -0.00 0.15 0.05 -0.04 3.65 3.81 1llfB1 SER 1201 H 0.00 0.04 -0.46 -0.55 8.46 7.50 1llfB1 SER 1201 HA 0.00 0.23 0.58 -0.75 4.49 4.55 1llfB1 SER 1201 HB2 -0.01 0.02 0.12 -0.04 3.95 4.04 1llfB1 SER 1201 HB3 -0.00 -0.04 0.03 -0.04 3.93 3.88 1llfB1 LYS 1202 H 0.01 0.46 -0.52 -0.55 8.42 7.82 1llfB1 LYS 1202 HA -0.01 0.21 0.84 -0.75 4.32 4.61 1llfB1 LYS 1202 HB2 -0.00 -0.00 0.12 -0.04 1.87 1.94 1llfB1 LYS 1202 HB3 -0.02 0.08 0.21 -0.04 1.79 2.02 1llfB1 LYS 1202 HG2 -0.02 0.08 -0.08 -0.04 1.46 1.40 1llfB1 LYS 1202 HG3 -0.01 -0.17 -0.37 -0.04 1.46 0.87 1llfB1 LYS 1202 HD2 -0.01 0.03 -0.05 -0.04 1.69 1.62 1llfB1 LYS 1202 HD3 -0.02 0.11 0.05 -0.04 1.68 1.78 1llfB1 LYS 1202 HE2 -0.01 0.00 -0.01 -0.04 2.99 2.93 1llfB1 LYS 1202 HE3 -0.01 -0.09 -0.05 -0.04 2.99 2.80 1llfB1 VAL 1203 H 0.03 0.22 -0.22 -0.55 8.24 7.72 1llfB1 VAL 1203 HA 0.02 0.22 0.97 -0.75 4.13 4.59 1llfB1 VAL 1203 HB 0.08 0.06 0.21 -0.04 2.12 2.44 1llfB1 VAL 1203 HG13 0.04 -0.04 -0.16 -0.04 0.97 0.77 1llfB1 VAL 1203 HG23 0.03 -0.00 -0.04 -0.04 0.95 0.90 1llfB1 THR 1204 H 0.00 0.85 0.42 -0.55 8.28 9.01 1llfB1 THR 1204 HA 0.03 0.20 0.93 -0.75 4.39 4.80 1llfB1 THR 1204 HB -0.06 0.00 0.17 -0.04 4.32 4.38 1llfB1 THR 1204 HG23 0.02 -0.04 -0.38 -0.04 1.22 0.78 1llfB1 ILE 1205 H -0.04 0.53 0.30 -0.55 8.25 8.49 1llfB1 ILE 1205 HA 0.01 0.26 1.02 -0.75 4.18 4.72 1llfB1 ILE 1205 HB -0.27 -0.02 0.08 -0.04 1.89 1.64 1llfB1 ILE 1205 HG12 -0.54 0.16 0.17 -0.04 1.49 1.24 1llfB1 ILE 1205 HG13 -0.30 -0.15 0.10 -0.04 1.21 0.82 1llfB1 ILE 1205 HG23 -0.27 0.01 -0.04 -0.04 0.93 0.59 1llfB1 ILE 1205 HD13 -0.92 -0.00 -0.05 -0.04 0.88 -0.13 1llfB1 PHE 1206 H 0.13 0.75 0.39 -0.55 8.34 9.06 1llfB1 PHE 1206 HA -0.10 0.31 0.88 -0.75 4.62 4.96 1llfB1 PHE 1206 HB2 0.05 -0.06 0.09 -0.04 3.15 3.19 1llfB1 PHE 1206 HB3 0.01 0.05 -0.27 -0.04 3.06 2.82 1llfB1 PHE 1206 HD2 0.23 0.04 -0.27 -0.04 7.28 7.24 1llfB1 PHE 1206 HE2 0.04 0.04 -0.27 -0.04 7.38 7.15 1llfB1 PHE 1206 HZ 0.03 0.02 -0.12 -0.04 7.32 7.21 1llfB1 GLY 1207 H -0.04 0.47 0.31 -0.55 8.43 8.62 1llfB1 GLY 1207 HA2 -1.62 0.08 0.51 -0.51 4.01 2.47 1llfB1 GLY 1207 HA3 -0.69 0.17 0.09 -0.51 4.01 3.08 1llfB1 GLU 1208 H -0.75 0.31 0.17 -0.55 8.60 7.78 1llfB1 GLU 1208 HA -0.02 0.45 1.09 -0.75 4.29 5.07 1llfB1 GLU 1208 HB2 0.30 0.06 -0.05 -0.04 2.09 2.36 1llfB1 GLU 1208 HB3 0.16 -0.03 0.13 -0.04 1.99 2.21 1llfB1 GLU 1208 HG2 -0.00 0.23 0.16 -0.04 2.34 2.69 1llfB1 GLU 1208 HG3 0.05 -0.10 -0.01 -0.04 2.34 2.25 1llfB1 SER 1209 H -0.00 0.84 0.41 -0.55 8.46 9.17 1llfB1 SER 1209 HA 0.22 0.46 0.59 -0.75 4.49 5.00 1llfB1 SER 1209 HB2 -0.03 -0.01 0.05 -0.04 3.95 3.92 1llfB1 SER 1209 HB3 0.02 -0.04 0.10 -0.04 3.93 3.97 1llfB1 ALA 1210 H -0.16 -0.01 0.37 -0.55 8.40 8.05 1llfB1 ALA 1210 HA -0.51 0.16 0.45 -0.75 4.34 3.69 1llfB1 ALA 1210 HB3 -1.25 -0.01 0.24 -0.04 1.41 0.34 1llfB1 GLY 1211 H -0.35 0.31 -0.31 -0.55 8.43 7.54 1llfB1 GLY 1211 HA2 -0.46 0.13 0.33 -0.51 4.01 3.50 1llfB1 GLY 1211 HA3 -0.61 0.27 0.07 -0.51 4.01 3.23 1llfB1 SER 1212 H -0.21 0.06 -1.05 -0.55 8.46 6.71 1llfB1 SER 1212 HA -0.17 0.14 0.38 -0.75 4.49 4.09 1llfB1 SER 1212 HB2 -0.06 0.00 -0.21 -0.04 3.95 3.65 1llfB1 SER 1212 HB3 -0.02 0.22 -0.27 -0.04 3.93 3.82 1llfB1 MET 1213 H -0.08 0.55 -0.18 -0.55 8.47 8.21 1llfB1 MET 1213 HA -0.09 0.20 0.28 -0.75 4.52 4.16 1llfB1 MET 1213 HB2 0.16 -0.02 0.06 -0.04 2.15 2.31 1llfB1 MET 1213 HB3 0.05 -0.03 -0.03 -0.04 2.03 1.97 1llfB1 MET 1213 HG2 -0.03 0.13 -0.15 -0.04 2.63 2.55 1llfB1 MET 1213 HG3 0.04 0.02 0.00 -0.04 2.56 2.59 1llfB1 MET 1213 HE3 -0.16 0.02 0.04 -0.04 2.10 1.95 1llfB1 SER 1214 H -0.12 0.35 -0.52 -0.55 8.46 7.62 1llfB1 SER 1214 HA -0.14 -0.03 0.37 -0.75 4.49 3.94 1llfB1 SER 1214 HB2 -0.28 0.16 0.08 -0.04 3.95 3.86 1llfB1 SER 1214 HB3 -0.24 -0.01 -0.06 -0.04 3.93 3.57 1llfB1 VAL 1215 H -0.19 0.43 -0.34 -0.55 8.24 7.59 1llfB1 VAL 1215 HA -0.13 0.04 0.40 -0.75 4.13 3.69 1llfB1 VAL 1215 HB -0.18 0.14 0.08 -0.04 2.12 2.11 1llfB1 VAL 1215 HG13 -0.19 -0.01 -0.22 -0.04 0.97 0.51 1llfB1 VAL 1215 HG23 -0.20 0.06 -0.13 -0.04 0.95 0.64 1llfB1 LEU 1216 H -0.17 0.50 -0.30 -0.55 8.37 7.84 1llfB1 LEU 1216 HA -0.17 0.05 0.35 -0.75 4.35 3.82 1llfB1 LEU 1216 HB2 -0.30 0.01 -0.00 -0.04 1.64 1.31 1llfB1 LEU 1216 HB3 -0.15 0.24 -0.04 -0.04 1.64 1.64 1llfB1 LEU 1216 HG -0.21 -0.23 -0.39 -0.04 1.64 0.77 1llfB1 LEU 1216 HD13 -0.05 -0.02 -0.32 -0.04 0.93 0.51 1llfB1 LEU 1216 HD23 -0.17 0.01 -0.05 -0.04 0.89 0.64 1llfB1 CYS 1217 H -0.12 0.61 -0.22 -0.55 8.50 8.23 1llfB1 CYS 1217 HA 0.02 -0.07 0.39 -0.75 4.58 4.17 1llfB1 CYS 1217 HB2 -0.25 0.18 0.14 -0.04 2.97 3.00 1llfB1 CYS 1217 HB3 -0.02 -0.08 -0.01 -0.04 2.97 2.82 1llfB1 HIS 1218 H -0.17 0.55 -0.37 -0.55 8.41 7.88 1llfB1 HIS 1218 HA 0.02 -0.01 0.44 -0.75 4.63 4.33 1llfB1 HIS 1218 HB2 -0.30 0.12 0.10 -0.04 3.26 3.14 1llfB1 HIS 1218 HB3 -0.23 -0.00 -0.02 -0.04 3.20 2.90 1llfB1 HIS 1218 HD2 -0.31 -0.03 -0.31 -0.04 6.97 6.27 1llfB1 HIS 1218 HE1 -0.58 0.04 -0.05 -0.04 7.75 7.11 1llfB1 LEU 1219 H 0.09 0.39 -0.27 -0.55 8.37 8.03 1llfB1 LEU 1219 HA 0.41 0.08 0.57 -0.75 4.35 4.66 1llfB1 LEU 1219 HB2 0.14 0.07 0.11 -0.04 1.64 1.92 1llfB1 LEU 1219 HB3 0.30 -0.04 0.03 -0.04 1.64 1.89 1llfB1 LEU 1219 HG -0.02 0.20 -0.02 -0.04 1.64 1.76 1llfB1 LEU 1219 HD13 -0.16 -0.03 -0.10 -0.04 0.93 0.60 1llfB1 LEU 1219 HD23 0.28 0.01 -0.15 -0.04 0.89 0.99 1llfB1 ILE 1220 H 0.19 0.40 -0.15 -0.55 8.25 8.14 1llfB1 ILE 1220 HA 0.23 0.34 0.77 -0.75 4.18 4.76 1llfB1 ILE 1220 HB 0.13 -0.11 0.12 -0.04 1.89 1.98 1llfB1 ILE 1220 HG12 0.08 -0.14 -0.04 -0.04 1.49 1.35 1llfB1 ILE 1220 HG13 0.11 0.22 0.07 -0.04 1.21 1.57 1llfB1 ILE 1220 HG23 0.23 0.03 -0.16 -0.04 0.93 1.00 1llfB1 ILE 1220 HD13 0.10 -0.02 -0.12 -0.04 0.88 0.80 1llfB1 TRP 1221 H 0.38 0.25 -0.36 -0.55 7.97 7.69 1llfB1 TRP 1221 HA 0.03 0.04 0.52 -0.75 4.62 4.45 1llfB1 TRP 1221 HB2 0.04 0.14 0.14 -0.04 3.23 3.52 1llfB1 TRP 1221 HB3 0.14 0.13 0.02 -0.04 3.23 3.48 1llfB1 TRP 1221 HD1 0.10 0.11 -0.14 -0.04 7.22 7.25 1llfB1 TRP 1221 HE1 0.06 0.00 -0.03 -0.04 10.20 10.20 1llfB1 TRP 1221 HE3 -0.07 0.06 -0.11 -0.04 7.59 7.43 1llfB1 TRP 1221 HZ2 0.03 0.03 -0.04 -0.04 7.44 7.42 1llfB1 TRP 1221 HZ3 -0.04 -0.09 -0.11 -0.04 7.13 6.85 1llfB1 TRP 1221 HH2 -0.00 0.07 -0.09 -0.04 7.19 7.13 1llfB1 ASN 1222 H -0.55 0.58 0.41 -0.55 8.53 8.42 1llfB1 ASN 1222 HA -0.20 0.02 0.42 -0.75 4.76 4.24 1llfB1 ASN 1222 HB2 0.13 0.29 -0.03 -0.04 2.88 3.23 1llfB1 ASN 1222 HB3 0.00 -0.04 0.25 -0.04 2.79 2.95 1llfB1 ASN 1222 HD21 0.23 0.12 0.01 -0.04 7.03 7.35 1llfB1 ASN 1222 HD22 0.22 -0.05 0.01 -0.04 7.74 7.87 1llfB1 ASP 1223 H -0.05 0.14 -0.12 -0.55 8.40 7.82 1llfB1 ASP 1223 HA 0.02 0.09 0.25 -0.75 4.63 4.24 1llfB1 ASP 1223 HB2 -0.02 0.08 -0.21 -0.04 2.71 2.53 1llfB1 ASP 1223 HB3 -0.01 0.02 0.17 -0.04 2.70 2.84 1llfB1 GLY 1224 H 0.12 0.40 -1.03 -0.55 8.43 7.38 1llfB1 GLY 1224 HA2 0.21 0.27 0.10 -0.51 4.01 4.08 1llfB1 GLY 1224 HA3 0.13 0.02 0.04 -0.51 4.01 3.69 1llfB1 ASP 1225 H 0.09 0.45 -0.30 -0.55 8.40 8.08 1llfB1 ASP 1225 HA 0.06 0.02 0.76 -0.75 4.63 4.71 1llfB1 ASP 1225 HB2 0.04 0.04 0.09 -0.04 2.71 2.84 1llfB1 ASP 1225 HB3 0.08 0.04 0.23 -0.04 2.70 3.00 1llfB1 ASN 1226 H 0.03 0.24 0.12 -0.55 8.53 8.38 1llfB1 ASN 1226 HA 0.13 0.25 0.70 -0.75 4.76 5.09 1llfB1 ASN 1226 HB2 -0.35 -0.05 0.16 -0.04 2.88 2.60 1llfB1 ASN 1226 HB3 0.00 0.13 -0.04 -0.04 2.79 2.84 1llfB1 ASN 1226 HD21 -1.66 -0.01 0.02 -0.04 7.03 5.33 1llfB1 ASN 1226 HD22 -0.45 0.14 0.07 -0.04 7.74 7.46 1llfB1 THR 1227 H 0.06 0.08 -0.45 -0.55 8.28 7.42 1llfB1 THR 1227 HA 0.03 0.22 0.31 -0.75 4.39 4.19 1llfB1 THR 1227 HB 0.03 -0.10 -0.21 -0.04 4.32 4.00 1llfB1 THR 1227 HG23 0.01 0.01 -0.12 -0.04 1.22 1.07 1llfB1 TYR 1228 H 0.10 0.67 0.16 -0.55 8.29 8.67 1llfB1 TYR 1228 HA 0.03 0.03 0.64 -0.75 4.56 4.50 1llfB1 TYR 1228 HB2 0.04 0.09 -0.11 -0.04 3.06 3.04 1llfB1 TYR 1228 HB3 0.01 0.11 0.06 -0.04 2.98 3.13 1llfB1 TYR 1228 HD2 0.03 0.03 0.01 -0.04 7.15 7.18 1llfB1 TYR 1228 HE2 0.02 0.02 -0.00 -0.04 6.85 6.85 1llfB1 LYS 1229 H -0.22 0.17 0.09 -0.55 8.42 7.91 1llfB1 LYS 1229 HA -0.19 0.01 0.34 -0.75 4.32 3.73 1llfB1 LYS 1229 HB2 -0.37 0.20 -0.18 -0.04 1.87 1.47 1llfB1 LYS 1229 HB3 -0.21 0.01 0.20 -0.04 1.79 1.75 1llfB1 LYS 1229 HG2 -0.35 -0.02 0.06 -0.04 1.46 1.11 1llfB1 LYS 1229 HG3 -1.20 -0.05 -0.05 -0.04 1.46 0.12 1llfB1 LYS 1229 HD2 -0.44 0.07 -0.07 -0.04 1.69 1.20 1llfB1 LYS 1229 HD3 -0.22 -0.00 0.00 -0.04 1.68 1.42 1llfB1 LYS 1229 HE2 -0.17 -0.03 -0.00 -0.04 2.99 2.75 1llfB1 LYS 1229 HE3 -0.34 0.00 -0.02 -0.04 2.99 2.59 1llfB1 GLY 1230 H -0.04 0.01 -0.39 -0.55 8.43 7.46 1llfB1 GLY 1230 HA2 -0.02 -0.03 0.23 -0.51 4.01 3.68 1llfB1 GLY 1230 HA3 -0.03 0.10 0.29 -0.51 4.01 3.86 1llfB1 LYS 1231 H -0.00 0.35 -0.39 -0.55 8.42 7.82 1llfB1 LYS 1231 HA -0.01 0.16 0.87 -0.75 4.32 4.59 1llfB1 LYS 1231 HB2 0.01 0.07 -0.02 -0.04 1.87 1.89 1llfB1 LYS 1231 HB3 -0.00 0.08 -0.00 -0.04 1.79 1.83 1llfB1 LYS 1231 HG2 -0.01 0.03 -0.12 -0.04 1.46 1.31 1llfB1 LYS 1231 HG3 -0.02 0.09 -0.23 -0.04 1.46 1.25 1llfB1 LYS 1231 HD2 -0.01 0.01 -0.04 -0.04 1.69 1.61 1llfB1 LYS 1231 HD3 -0.01 0.02 -0.03 -0.04 1.68 1.62 1llfB1 LYS 1231 HE2 -0.01 -0.03 -0.01 -0.04 2.99 2.90 1llfB1 LYS 1231 HE3 -0.02 -0.01 -0.02 -0.04 2.99 2.90 1llfB1 PRO 1232 HA -0.08 0.03 0.34 -0.51 4.44 4.22 1llfB1 PRO 1232 HB2 -0.11 0.10 0.01 -0.04 2.28 2.24 1llfB1 PRO 1232 HB3 -0.18 0.06 0.14 -0.04 2.02 1.99 1llfB1 PRO 1232 HG2 -0.05 0.08 0.12 -0.04 2.03 2.14 1llfB1 PRO 1232 HG3 -0.05 -0.01 0.10 -0.04 2.03 2.03 1llfB1 PRO 1232 HD2 -0.02 0.12 0.22 -0.04 3.68 3.96 1llfB1 PRO 1232 HD3 -0.02 0.11 0.21 -0.04 3.65 3.91 1llfB1 LEU 1233 H -0.14 0.63 0.36 -0.55 8.37 8.68 1llfB1 LEU 1233 HA 0.04 0.07 0.50 -0.75 4.35 4.21 1llfB1 LEU 1233 HB2 0.02 0.06 0.15 -0.04 1.64 1.82 1llfB1 LEU 1233 HB3 0.14 -0.09 0.01 -0.04 1.64 1.66 1llfB1 LEU 1233 HG 0.08 0.07 -0.08 -0.04 1.64 1.66 1llfB1 LEU 1233 HD13 0.01 -0.03 -0.08 -0.04 0.93 0.79 1llfB1 LEU 1233 HD23 -0.07 -0.03 -0.13 -0.04 0.89 0.63 1llfB1 PHE 1234 H -0.40 0.17 -0.11 -0.55 8.34 7.45 1llfB1 PHE 1234 HA -0.01 0.14 0.52 -0.75 4.62 4.51 1llfB1 PHE 1234 HB2 -0.01 0.02 0.13 -0.04 3.15 3.25 1llfB1 PHE 1234 HB3 -0.04 0.06 -0.04 -0.04 3.06 3.00 1llfB1 PHE 1234 HD2 -0.02 0.01 -0.33 -0.04 7.28 6.90 1llfB1 PHE 1234 HE2 0.05 0.01 -0.15 -0.04 7.38 7.25 1llfB1 PHE 1234 HZ 0.11 0.15 -0.24 -0.04 7.32 7.30 1llfB1 ARG 1235 H 0.15 0.76 0.36 -0.55 8.46 9.17 1llfB1 ARG 1235 HA 0.01 0.18 0.94 -0.75 4.34 4.71 1llfB1 ARG 1235 HB2 -0.01 -0.04 0.19 -0.04 1.90 2.00 1llfB1 ARG 1235 HB3 -0.00 0.05 -0.03 -0.04 1.80 1.78 1llfB1 ARG 1235 HG2 -0.01 -0.05 -0.14 -0.04 1.67 1.44 1llfB1 ARG 1235 HG3 -0.05 -0.01 -0.31 -0.04 1.67 1.26 1llfB1 ARG 1235 HD2 -0.05 -0.07 0.01 -0.04 3.22 3.07 1llfB1 ARG 1235 HD3 -0.03 0.21 0.15 -0.04 3.22 3.51 1llfB1 ALA 1236 H 0.22 0.19 0.27 -0.55 8.40 8.53 1llfB1 ALA 1236 HA 0.14 0.25 0.59 -0.75 4.34 4.57 1llfB1 ALA 1236 HB3 -0.21 0.01 -0.07 -0.04 1.41 1.10 1llfB1 GLY 1237 H 0.23 0.58 0.31 -0.55 8.43 9.00 1llfB1 GLY 1237 HA2 0.01 0.32 0.93 -0.51 4.01 4.77 1llfB1 GLY 1237 HA3 -0.00 -0.00 0.31 -0.51 4.01 3.80 1llfB1 ILE 1238 H 0.02 0.71 0.37 -0.55 8.25 8.81 1llfB1 ILE 1238 HA -0.08 0.25 0.94 -0.75 4.18 4.53 1llfB1 ILE 1238 HB 0.02 -0.03 0.12 -0.04 1.89 1.95 1llfB1 ILE 1238 HG12 -0.18 -0.01 -0.08 -0.04 1.49 1.18 1llfB1 ILE 1238 HG13 0.11 0.02 -0.47 -0.04 1.21 0.83 1llfB1 ILE 1238 HG23 -0.72 -0.04 -0.20 -0.04 0.93 -0.07 1llfB1 ILE 1238 HD13 -0.27 0.01 -0.12 -0.04 0.88 0.45 1llfB1 MET 1239 H -0.06 0.76 0.30 -0.55 8.47 8.93 1llfB1 MET 1239 HA -0.06 0.16 0.90 -0.75 4.52 4.77 1llfB1 MET 1239 HB2 -0.17 0.03 0.27 -0.04 2.15 2.25 1llfB1 MET 1239 HB3 -0.14 0.06 0.07 -0.04 2.03 1.98 1llfB1 MET 1239 HG2 -0.19 0.20 0.02 -0.04 2.63 2.62 1llfB1 MET 1239 HG3 -0.18 -0.04 -0.32 -0.04 2.56 1.99 1llfB1 MET 1239 HE3 -0.38 0.02 -0.17 -0.04 2.10 1.53 1llfB1 GLN 1240 H 0.08 0.68 0.24 -0.55 8.47 8.92 1llfB1 GLN 1240 HA 0.34 0.04 0.75 -0.75 4.36 4.74 1llfB1 GLN 1240 HB2 0.20 0.07 0.25 -0.04 2.15 2.63 1llfB1 GLN 1240 HB3 0.23 -0.15 0.04 -0.04 2.02 2.09 1llfB1 GLN 1240 HG2 0.66 -0.05 -0.13 -0.04 2.40 2.84 1llfB1 GLN 1240 HG3 0.40 0.06 -0.20 -0.04 2.39 2.61 1llfB1 GLN 1240 HE21 0.13 -0.17 -0.15 -0.04 6.97 6.75 1llfB1 GLN 1240 HE22 0.25 0.08 -0.19 -0.04 7.69 7.78 1llfB1 SER 1241 H 0.04 0.60 0.21 -0.55 8.46 8.77 1llfB1 SER 1241 HA 0.08 0.09 0.53 -0.75 4.49 4.43 1llfB1 SER 1241 HB2 -0.02 0.05 0.35 -0.04 3.95 4.29 1llfB1 SER 1241 HB3 -0.18 0.00 0.20 -0.04 3.93 3.92 1llfB1 GLY 1242 H 0.10 0.15 0.03 -0.55 8.43 8.17 1llfB1 GLY 1242 HA2 0.19 0.09 0.37 -0.51 4.01 4.15 1llfB1 GLY 1242 HA3 0.16 0.19 0.82 -0.51 4.01 4.67 1llfB1 ALA 1243 H -0.04 0.21 -0.05 -0.55 8.40 7.98 1llfB1 ALA 1243 HA -0.25 0.22 0.58 -0.75 4.34 4.14 1llfB1 ALA 1243 HB3 -0.25 0.02 -0.03 -0.04 1.41 1.10 1llfB1 MET 1244 H -0.20 0.11 0.03 -0.55 8.47 7.85 1llfB1 MET 1244 HA -0.15 0.05 0.26 -0.75 4.52 3.92 1llfB1 MET 1244 HB2 -0.71 -0.01 -0.04 -0.04 2.15 1.35 1llfB1 MET 1244 HB3 -0.30 -0.03 -0.20 -0.04 2.03 1.46 1llfB1 MET 1244 HG2 -0.50 -0.05 -0.35 -0.04 2.63 1.69 1llfB1 MET 1244 HG3 -0.14 0.08 -0.14 -0.04 2.56 2.32 1llfB1 MET 1244 HE3 -0.52 0.01 0.01 -0.04 2.10 1.56 1llfB1 VAL 1245 H -0.12 0.10 0.15 -0.55 8.24 7.82 1llfB1 VAL 1245 HA -0.12 0.23 0.80 -0.75 4.13 4.29 1llfB1 VAL 1245 HB -0.18 -0.06 0.12 -0.04 2.12 1.96 1llfB1 VAL 1245 HG13 -0.21 0.02 -0.07 -0.04 0.97 0.67 1llfB1 VAL 1245 HG23 -0.14 0.00 0.02 -0.04 0.95 0.79 1llfB1 PRO 1246 HA -0.78 0.01 0.48 -0.51 4.44 3.64 1llfB1 PRO 1246 HB2 0.02 0.07 0.10 -0.04 2.28 2.44 1llfB1 PRO 1246 HB3 0.05 0.05 0.00 -0.04 2.02 2.08 1llfB1 PRO 1246 HG2 -0.07 0.00 0.13 -0.04 2.03 2.05 1llfB1 PRO 1246 HG3 -0.05 0.09 0.02 -0.04 2.03 2.05 1llfB1 PRO 1246 HD2 -0.14 0.07 0.16 -0.04 3.68 3.73 1llfB1 PRO 1246 HD3 -0.09 0.34 0.24 -0.04 3.65 4.10 1llfB1 SER 1247 H -0.77 0.42 0.07 -0.55 8.46 7.64 1llfB1 SER 1247 HA -0.17 -0.09 1.03 -0.75 4.49 4.50 1llfB1 SER 1247 HB2 -0.10 0.10 0.00 -0.04 3.95 3.91 1llfB1 SER 1247 HB3 -0.18 0.01 -0.20 -0.04 3.93 3.52 1llfB1 ASP 1248 H 0.08 -0.03 0.13 -0.55 8.40 8.03 1llfB1 ASP 1248 HA 0.16 0.07 0.58 -0.75 4.63 4.68 1llfB1 ASP 1248 HB2 0.12 -0.00 0.08 -0.04 2.71 2.87 1llfB1 ASP 1248 HB3 0.10 0.00 0.11 -0.04 2.70 2.88 1llfB1 PRO 1249 HA -0.00 0.25 0.41 -0.51 4.44 4.59 1llfB1 PRO 1249 HB2 -0.00 -0.16 -0.11 -0.04 2.28 1.96 1llfB1 PRO 1249 HB3 -0.01 0.12 0.02 -0.04 2.02 2.11 1llfB1 PRO 1249 HG2 0.01 0.04 0.01 -0.04 2.03 2.05 1llfB1 PRO 1249 HG3 0.01 0.07 0.05 -0.04 2.03 2.11 1llfB1 PRO 1249 HD2 0.04 0.04 0.20 -0.04 3.68 3.93 1llfB1 PRO 1249 HD3 0.06 0.14 0.22 -0.04 3.65 4.02 1llfB1 VAL 1250 H -0.01 0.73 0.21 -0.55 8.24 8.62 1llfB1 VAL 1250 HA -0.01 0.11 0.35 -0.75 4.13 3.83 1llfB1 VAL 1250 HB -0.03 0.00 0.14 -0.04 2.12 2.19 1llfB1 VAL 1250 HG13 -0.05 0.02 -0.10 -0.04 0.97 0.79 1llfB1 VAL 1250 HG23 -0.00 0.07 -0.04 -0.04 0.95 0.93 1llfB1 ASP 1251 H -0.02 0.13 -0.31 -0.55 8.40 7.65 1llfB1 ASP 1251 HA -0.05 0.02 0.49 -0.75 4.63 4.34 1llfB1 ASP 1251 HB2 -0.03 0.00 0.09 -0.04 2.71 2.74 1llfB1 ASP 1251 HB3 -0.05 0.02 -0.10 -0.04 2.70 2.54 1llfB1 GLY 1252 H 0.01 0.45 -0.67 -0.55 8.43 7.67 1llfB1 GLY 1252 HA2 0.03 0.17 0.54 -0.51 4.01 4.24 1llfB1 GLY 1252 HA3 0.05 0.03 0.29 -0.51 4.01 3.87 1llfB1 THR 1253 H 0.10 0.17 0.13 -0.55 8.28 8.13 1llfB1 THR 1253 HA 0.06 0.11 0.28 -0.75 4.39 4.08 1llfB1 THR 1253 HB 0.09 -0.00 0.17 -0.04 4.32 4.54 1llfB1 THR 1253 HG23 0.05 0.03 -0.08 -0.04 1.22 1.18 1llfB1 TYR 1254 H 0.17 0.14 0.00 -0.55 8.29 8.05 1llfB1 TYR 1254 HA -0.01 0.07 0.46 -0.75 4.56 4.33 1llfB1 TYR 1254 HB2 -0.02 0.01 0.11 -0.04 3.06 3.12 1llfB1 TYR 1254 HB3 -0.02 0.16 0.02 -0.04 2.98 3.10 1llfB1 TYR 1254 HD2 -0.04 0.02 -0.03 -0.04 7.15 7.06 1llfB1 TYR 1254 HE2 -0.02 0.08 -0.18 -0.04 6.85 6.68 1llfB1 GLY 1255 H 0.06 0.05 -0.32 -0.55 8.43 7.67 1llfB1 GLY 1255 HA2 -0.09 0.17 0.54 -0.51 4.01 4.12 1llfB1 GLY 1255 HA3 -0.03 0.14 0.30 -0.51 4.01 3.92 1llfB1 ASN 1256 H 0.00 0.48 -0.27 -0.55 8.53 8.20 1llfB1 ASN 1256 HA 0.04 -0.05 0.61 -0.75 4.76 4.61 1llfB1 ASN 1256 HB2 0.02 0.24 0.14 -0.04 2.88 3.24 1llfB1 ASN 1256 HB3 0.04 -0.02 -0.01 -0.04 2.79 2.76 1llfB1 ASN 1256 HD21 0.00 0.39 -0.17 -0.04 7.03 7.21 1llfB1 ASN 1256 HD22 -0.03 -0.08 0.02 -0.04 7.74 7.61 1llfB1 GLU 1257 H -0.00 0.52 -0.07 -0.55 8.60 8.49 1llfB1 GLU 1257 HA -0.01 0.00 0.49 -0.75 4.29 4.03 1llfB1 GLU 1257 HB2 0.06 0.05 0.14 -0.04 2.09 2.30 1llfB1 GLU 1257 HB3 -0.03 0.06 0.20 -0.04 1.99 2.18 1llfB1 GLU 1257 HG2 -0.01 0.02 -0.14 -0.04 2.34 2.16 1llfB1 GLU 1257 HG3 0.01 -0.05 0.05 -0.04 2.34 2.31 1llfB1 ILE 1258 H -0.27 0.67 -0.08 -0.55 8.25 8.01 1llfB1 ILE 1258 HA -0.17 0.03 0.57 -0.75 4.18 3.86 1llfB1 ILE 1258 HB -0.31 0.10 0.21 -0.04 1.89 1.85 1llfB1 ILE 1258 HG12 -1.12 0.04 0.12 -0.04 1.49 0.50 1llfB1 ILE 1258 HG13 -0.70 0.12 0.13 -0.04 1.21 0.72 1llfB1 ILE 1258 HG23 -0.35 0.04 -0.06 -0.04 0.93 0.52 1llfB1 ILE 1258 HD13 -0.32 -0.02 0.04 -0.04 0.88 0.54 1llfB1 TYR 1259 H 0.04 0.49 -0.22 -0.55 8.29 8.05 1llfB1 TYR 1259 HA 0.01 0.01 0.44 -0.75 4.56 4.27 1llfB1 TYR 1259 HB2 -0.06 0.17 0.09 -0.04 3.06 3.21 1llfB1 TYR 1259 HB3 -0.04 0.01 0.21 -0.04 2.98 3.12 1llfB1 TYR 1259 HD2 -0.06 0.03 0.02 -0.04 7.15 7.10 1llfB1 TYR 1259 HE2 -0.07 0.02 -0.05 -0.04 6.85 6.70 1llfB1 ASP 1260 H 0.06 0.66 -0.20 -0.55 8.40 8.38 1llfB1 ASP 1260 HA -0.15 -0.03 0.39 -0.75 4.63 4.09 1llfB1 ASP 1260 HB2 -0.01 0.14 0.18 -0.04 2.71 2.97 1llfB1 ASP 1260 HB3 -0.03 -0.05 0.04 -0.04 2.70 2.62 1llfB1 LEU 1261 H -0.03 0.54 -0.16 -0.55 8.37 8.16 1llfB1 LEU 1261 HA -0.05 -0.01 0.52 -0.75 4.35 4.06 1llfB1 LEU 1261 HB2 -0.05 -0.01 0.16 -0.04 1.64 1.70 1llfB1 LEU 1261 HB3 -0.00 0.11 0.22 -0.04 1.64 1.92 1llfB1 LEU 1261 HG 0.07 0.06 -0.22 -0.04 1.64 1.51 1llfB1 LEU 1261 HD13 -0.03 -0.02 0.09 -0.04 0.93 0.93 1llfB1 LEU 1261 HD23 0.10 0.02 0.09 -0.04 0.89 1.06 1llfB1 PHE 1262 H 0.09 0.68 -0.12 -0.55 8.34 8.44 1llfB1 PHE 1262 HA -0.05 0.09 0.35 -0.75 4.62 4.26 1llfB1 PHE 1262 HB2 -0.01 0.07 0.06 -0.04 3.15 3.23 1llfB1 PHE 1262 HB3 -0.14 0.05 0.17 -0.04 3.06 3.09 1llfB1 PHE 1262 HD2 -0.13 0.05 -0.19 -0.04 7.28 6.97 1llfB1 PHE 1262 HE2 -0.21 0.05 -0.07 -0.04 7.38 7.10 1llfB1 PHE 1262 HZ -0.22 -0.01 -0.07 -0.04 7.32 6.97 1llfB1 VAL 1263 H -0.18 0.78 -0.05 -0.55 8.24 8.24 1llfB1 VAL 1263 HA -0.35 0.00 0.32 -0.75 4.13 3.36 1llfB1 VAL 1263 HB -0.32 0.13 0.12 -0.04 2.12 2.00 1llfB1 VAL 1263 HG13 -0.18 -0.04 -0.30 -0.04 0.97 0.41 1llfB1 VAL 1263 HG23 -0.75 0.01 -0.01 -0.04 0.95 0.15 1llfB1 SER 1264 H -0.14 0.58 -0.32 -0.55 8.46 8.03 1llfB1 SER 1264 HA -0.10 -0.14 0.36 -0.75 4.49 3.86 1llfB1 SER 1264 HB2 -0.08 0.00 0.12 -0.04 3.95 3.96 1llfB1 SER 1264 HB2 -0.08 0.00 0.12 -0.04 3.95 3.96 1llfB1 SER 1264 HB3 -0.07 0.00 0.21 -0.04 3.93 4.02 1llfB1 SER 1264 HB3 -0.07 0.00 0.21 -0.04 3.93 4.02 1llfB1 SER 1265 H -0.11 0.61 -0.16 -0.55 8.46 8.25 1llfB1 SER 1265 HA -0.05 0.00 0.43 -0.75 4.49 4.11 1llfB1 SER 1265 HB2 -0.08 0.05 0.14 -0.04 3.95 4.02 1llfB1 SER 1265 HB3 -0.02 -0.06 0.11 -0.04 3.93 3.92 1llfB1 ALA 1266 H -0.26 0.41 -0.46 -0.55 8.40 7.54 1llfB1 ALA 1266 HA -0.17 0.10 0.57 -0.75 4.34 4.08 1llfB1 ALA 1266 HB3 -0.41 -0.01 0.03 -0.04 1.41 0.97 1llfB1 GLY 1267 H -0.11 0.44 -0.46 -0.55 8.43 7.76 1llfB1 GLY 1267 HA2 -0.06 0.02 0.32 -0.51 4.01 3.79 1llfB1 GLY 1267 HA3 -0.06 0.10 0.53 -0.51 4.01 4.07 1llfB1 CYS 1268 H -0.12 0.57 -0.07 -0.55 8.50 8.33 1llfB1 CYS 1268 HA -0.05 0.16 0.71 -0.75 4.58 4.65 1llfB1 CYS 1268 HB2 -0.14 0.12 0.03 -0.04 2.97 2.93 1llfB1 CYS 1268 HB3 -0.07 -0.11 0.13 -0.04 2.97 2.88 1llfB1 GLY 1269 H -0.07 0.18 -0.22 -0.55 8.43 7.78 1llfB1 GLY 1269 HA2 -0.07 0.08 0.20 -0.51 4.01 3.72 1llfB1 GLY 1269 HA3 -0.06 0.06 0.26 -0.51 4.01 3.76 1llfB1 SER 1270 H -0.03 0.11 -0.36 -0.55 8.46 7.63 1llfB1 SER 1270 HA -0.02 0.17 0.60 -0.75 4.49 4.48 1llfB1 SER 1270 HB2 -0.02 0.02 -0.02 -0.04 3.95 3.90 1llfB1 SER 1270 HB3 -0.01 -0.01 0.09 -0.04 3.93 3.96 1llfB1 ALA 1271 H -0.03 0.40 -0.48 -0.55 8.40 7.75 1llfB1 ALA 1271 HA -0.00 0.03 0.38 -0.75 4.34 3.99 1llfB1 ALA 1271 HB3 -0.01 0.01 -0.08 -0.04 1.41 1.29 1llfB1 SER 1272 H 0.01 0.15 0.15 -0.55 8.46 8.23 1llfB1 SER 1272 HA 0.01 0.18 0.71 -0.75 4.49 4.64 1llfB1 SER 1272 HB2 0.01 0.00 0.09 -0.04 3.95 4.01 1llfB1 SER 1272 HB2 0.01 0.00 0.09 -0.04 3.95 4.01 1llfB1 SER 1272 HB3 0.01 0.00 0.08 -0.04 3.93 3.98 1llfB1 SER 1272 HB3 0.01 0.00 0.08 -0.04 3.93 3.98 1llfB1 ASP 1273 H 0.02 0.10 -0.14 -0.55 8.40 7.83 1llfB1 ASP 1273 HA 0.04 0.22 0.90 -0.75 4.63 5.03 1llfB1 ASP 1273 HB2 0.03 0.09 -0.01 -0.04 2.71 2.77 1llfB1 ASP 1273 HB3 0.03 -0.00 0.16 -0.04 2.70 2.85 1llfB1 LYS 1274 H 0.06 0.31 -0.17 -0.55 8.42 8.07 1llfB1 LYS 1274 HA 0.01 0.12 0.28 -0.75 4.32 3.98 1llfB1 LYS 1274 HB2 0.16 -0.05 0.04 -0.04 1.87 1.98 1llfB1 LYS 1274 HB3 -0.02 0.03 -0.03 -0.04 1.79 1.73 1llfB1 LYS 1274 HG2 -0.03 0.15 -0.03 -0.04 1.46 1.51 1llfB1 LYS 1274 HG3 0.03 0.05 -0.17 -0.04 1.46 1.32 1llfB1 LYS 1274 HD2 0.12 -0.07 -0.02 -0.04 1.69 1.68 1llfB1 LYS 1274 HD3 -0.04 -0.04 -0.04 -0.04 1.68 1.52 1llfB1 LYS 1274 HE2 -0.03 0.06 -0.01 -0.04 2.99 2.97 1llfB1 LYS 1274 HE3 0.02 0.14 0.00 -0.04 2.99 3.11 1llfB1 LEU 1275 H 0.11 0.09 -0.17 -0.55 8.37 7.85 1llfB1 LEU 1275 HA 0.16 0.14 0.39 -0.75 4.35 4.28 1llfB1 LEU 1275 HB2 0.10 -0.03 -0.01 -0.04 1.64 1.66 1llfB1 LEU 1275 HB3 0.17 0.16 -0.08 -0.04 1.64 1.85 1llfB1 LEU 1275 HG 0.12 -0.14 -0.07 -0.04 1.64 1.52 1llfB1 LEU 1275 HD13 0.03 0.01 -0.25 -0.04 0.93 0.68 1llfB1 LEU 1275 HD23 0.06 0.02 -0.12 -0.04 0.89 0.81 1llfB1 ALA 1276 H 0.08 0.02 -0.33 -0.55 8.40 7.62 1llfB1 ALA 1276 HA 0.08 0.14 0.43 -0.75 4.34 4.24 1llfB1 ALA 1276 HB3 0.05 0.03 0.03 -0.04 1.41 1.48 1llfB1 CYS 1277 H 0.05 0.39 -0.25 -0.55 8.50 8.14 1llfB1 CYS 1277 HA 0.02 0.04 0.39 -0.75 4.58 4.28 1llfB1 CYS 1277 HB2 0.01 -0.05 0.08 -0.04 2.97 2.96 1llfB1 CYS 1277 HB3 -0.00 0.11 0.15 -0.04 2.97 3.19 1llfB1 LEU 1278 H 0.07 0.57 -0.13 -0.55 8.37 8.34 1llfB1 LEU 1278 HA 0.04 0.02 0.35 -0.75 4.35 4.01 1llfB1 LEU 1278 HB2 0.30 0.10 0.08 -0.04 1.64 2.08 1llfB1 LEU 1278 HB3 0.40 -0.03 -0.06 -0.04 1.64 1.90 1llfB1 LEU 1278 HG -0.02 0.10 0.03 -0.04 1.64 1.71 1llfB1 LEU 1278 HD13 0.03 -0.03 -0.11 -0.04 0.93 0.77 1llfB1 LEU 1278 HD23 -0.28 -0.01 -0.09 -0.04 0.89 0.47 1llfB1 ARG 1279 H 0.16 0.49 -0.29 -0.55 8.46 8.27 1llfB1 ARG 1279 HA 0.07 0.05 0.40 -0.75 4.34 4.11 1llfB1 ARG 1279 HB2 0.09 0.03 0.10 -0.04 1.90 2.08 1llfB1 ARG 1279 HB3 0.05 -0.13 -0.18 -0.04 1.80 1.51 1llfB1 ARG 1279 HG2 0.04 0.06 0.00 -0.04 1.67 1.73 1llfB1 ARG 1279 HG3 0.26 0.02 -0.01 -0.04 1.67 1.91 1llfB1 ARG 1279 HD2 0.13 -0.16 -0.19 -0.04 3.22 2.95 1llfB1 ARG 1279 HD3 0.08 0.01 0.02 -0.04 3.22 3.28 1llfB1 SER 1280 H 0.06 0.29 -0.62 -0.55 8.46 7.64 1llfB1 SER 1280 HA 0.03 0.00 0.53 -0.75 4.49 4.30 1llfB1 SER 1280 HB2 0.03 0.14 0.10 -0.04 3.95 4.17 1llfB1 SER 1280 HB3 0.02 -0.12 0.08 -0.04 3.93 3.87 1llfB1 ALA 1281 H 0.05 0.38 -0.32 -0.55 8.40 7.96 1llfB1 ALA 1281 HA 0.02 -0.01 0.39 -0.75 4.34 3.99 1llfB1 ALA 1281 HB3 0.01 0.01 0.10 -0.04 1.41 1.49 1llfB1 SER 1282 H 0.03 0.09 0.20 -0.55 8.46 8.23 1llfB1 SER 1282 HA 0.04 0.19 0.63 -0.75 4.49 4.60 1llfB1 SER 1282 HB2 0.04 -0.05 0.18 -0.04 3.95 4.09 1llfB1 SER 1282 HB3 0.03 0.14 0.18 -0.04 3.93 4.24 1llfB1 SER 1283 H 0.07 0.20 0.20 -0.55 8.46 8.38 1llfB1 SER 1283 HA 0.19 0.15 0.46 -0.75 4.49 4.54 1llfB1 SER 1283 HB2 0.07 0.06 0.18 -0.04 3.95 4.22 1llfB1 SER 1283 HB3 0.06 -0.01 0.17 -0.04 3.93 4.11 1llfB1 ASP 1284 H 0.07 0.09 -0.14 -0.55 8.40 7.88 1llfB1 ASP 1284 HA 0.11 0.10 0.36 -0.75 4.63 4.44 1llfB1 ASP 1284 HB2 0.05 -0.04 0.09 -0.04 2.71 2.76 1llfB1 ASP 1284 HB3 0.05 0.07 -0.03 -0.04 2.70 2.74 1llfB1 THR 1285 H 0.06 0.03 -0.35 -0.55 8.28 7.47 1llfB1 THR 1285 HA 0.03 0.08 0.49 -0.75 4.39 4.23 1llfB1 THR 1285 HB 0.02 0.08 0.15 -0.04 4.32 4.53 1llfB1 THR 1285 HG23 -0.05 0.04 -0.02 -0.04 1.22 1.14 1llfB1 LEU 1286 H 0.12 0.44 -0.24 -0.55 8.37 8.15 1llfB1 LEU 1286 HA -0.04 0.08 0.39 -0.75 4.35 4.03 1llfB1 LEU 1286 HB2 0.36 0.04 0.08 -0.04 1.64 2.08 1llfB1 LEU 1286 HB3 0.09 -0.07 -0.02 -0.04 1.64 1.60 1llfB1 LEU 1286 HG 0.12 0.14 -0.05 -0.04 1.64 1.81 1llfB1 LEU 1286 HD13 0.21 0.03 -0.06 -0.04 0.93 1.07 1llfB1 LEU 1286 HD23 -0.01 0.00 -0.05 -0.04 0.89 0.79 1llfB1 LEU 1287 H 0.28 0.53 -0.17 -0.55 8.37 8.47 1llfB1 LEU 1287 HA 0.60 0.01 0.45 -0.75 4.35 4.65 1llfB1 LEU 1287 HB2 0.34 -0.01 0.07 -0.04 1.64 2.01 1llfB1 LEU 1287 HB3 0.20 0.05 0.18 -0.04 1.64 2.02 1llfB1 LEU 1287 HG 0.16 0.00 -0.19 -0.04 1.64 1.57 1llfB1 LEU 1287 HD13 0.27 -0.02 0.01 -0.04 0.93 1.15 1llfB1 LEU 1287 HD23 0.09 -0.01 -0.03 -0.04 0.89 0.90 1llfB1 ASP 1288 H 0.12 0.63 -0.12 -0.55 8.40 8.48 1llfB1 ASP 1288 HA 0.09 -0.01 0.31 -0.75 4.63 4.26 1llfB1 ASP 1288 HB2 0.04 0.12 0.18 -0.04 2.71 3.00 1llfB1 ASP 1288 HB3 0.04 -0.00 0.00 -0.04 2.70 2.70 1llfB1 ALA 1289 H 0.04 0.51 -0.31 -0.55 8.40 8.09 1llfB1 ALA 1289 HA 0.01 0.07 0.32 -0.75 4.34 3.98 1llfB1 ALA 1289 HB3 -0.27 0.03 -0.04 -0.04 1.41 1.10 1llfB1 THR 1290 H 0.16 0.55 -0.24 -0.55 8.28 8.20 1llfB1 THR 1290 HA 0.24 0.00 0.39 -0.75 4.39 4.27 1llfB1 THR 1290 HB 0.15 0.12 0.14 -0.04 4.32 4.69 1llfB1 THR 1290 HG23 -0.06 -0.04 -0.01 -0.04 1.22 1.07 1llfB1 ASN 1291 H 0.15 0.52 -0.25 -0.55 8.53 8.40 1llfB1 ASN 1291 HA 0.13 0.03 0.53 -0.75 4.76 4.69 1llfB1 ASN 1291 HB2 0.10 0.13 0.13 -0.04 2.88 3.20 1llfB1 ASN 1291 HB3 0.07 -0.08 0.17 -0.04 2.79 2.90 1llfB1 ASN 1291 HD21 0.09 0.01 -0.03 -0.04 7.03 7.06 1llfB1 ASN 1291 HD22 0.11 0.01 0.03 -0.04 7.74 7.85 1llfB1 ASN 1292 H 0.12 0.31 -0.69 -0.55 8.53 7.72 1llfB1 ASN 1292 HA 0.09 0.27 0.67 -0.75 4.76 5.04 1llfB1 ASN 1292 HB2 0.07 0.08 0.10 -0.04 2.88 3.09 1llfB1 ASN 1292 HB3 0.10 0.07 0.05 -0.04 2.79 2.97 1llfB1 ASN 1292 HD21 0.07 0.03 0.07 -0.04 7.03 7.15 1llfB1 ASN 1292 HD22 0.08 -0.06 0.10 -0.04 7.74 7.82 1llfB1 THR 1293 H 0.16 0.42 -0.44 -0.55 8.28 7.87 1llfB1 THR 1293 HA 0.21 0.08 0.72 -0.75 4.39 4.64 1llfB1 THR 1293 HB 0.05 -0.03 0.08 -0.04 4.32 4.38 1llfB1 THR 1293 HG23 0.19 0.03 -0.13 -0.04 1.22 1.28 1llfB1 PRO 1294 HA 0.02 0.24 0.20 -0.51 4.44 4.40 1llfB1 PRO 1294 HB2 0.11 0.07 -0.02 -0.04 2.28 2.39 1llfB1 PRO 1294 HB3 0.06 -0.08 0.07 -0.04 2.02 2.03 1llfB1 PRO 1294 HG2 0.24 0.08 0.06 -0.04 2.03 2.37 1llfB1 PRO 1294 HG3 0.05 -0.10 0.09 -0.04 2.03 2.03 1llfB1 PRO 1294 HD2 0.10 0.13 0.16 -0.04 3.68 4.02 1llfB1 PRO 1294 HD3 0.29 0.10 0.19 -0.04 3.65 4.19 1llfB1 GLY 1295 H 0.04 0.54 0.14 -0.55 8.43 8.60 1llfB1 GLY 1295 HA2 0.17 0.12 0.73 -0.51 4.01 4.52 1llfB1 GLY 1295 HA3 0.03 0.05 0.32 -0.51 4.01 3.89 1llfB1 PHE 1296 H 0.11 0.09 0.17 -0.55 8.34 8.16 1llfB1 PHE 1296 HA 0.10 0.28 0.08 -0.75 4.62 4.33 1llfB1 PHE 1296 HB2 0.13 -0.02 0.04 -0.04 3.15 3.26 1llfB1 PHE 1296 HB3 0.13 0.05 0.12 -0.04 3.06 3.32 1llfB1 PHE 1296 HD2 0.28 0.04 -0.12 -0.04 7.28 7.44 1llfB1 PHE 1296 HE2 0.18 0.02 -0.08 -0.04 7.38 7.46 1llfB1 PHE 1296 HZ 0.15 0.01 -0.06 -0.04 7.32 7.37 1llfB1 LEU 1297 H -0.36 0.39 -0.19 -0.55 8.37 7.67 1llfB1 LEU 1297 HA 0.15 0.16 0.88 -0.75 4.35 4.78 1llfB1 LEU 1297 HB2 -0.20 -0.01 -0.24 -0.04 1.64 1.15 1llfB1 LEU 1297 HB3 -0.03 -0.03 0.03 -0.04 1.64 1.57 1llfB1 LEU 1297 HG -0.63 -0.08 -0.15 -0.04 1.64 0.74 1llfB1 LEU 1297 HD13 -0.06 -0.02 -0.09 -0.04 0.93 0.72 1llfB1 LEU 1297 HD23 0.28 0.04 -0.10 -0.04 0.89 1.06 1llfB1 ALA 1298 H -0.00 0.41 -0.08 -0.55 8.40 8.18 1llfB1 ALA 1298 HA 0.02 0.03 0.60 -0.75 4.34 4.24 1llfB1 ALA 1298 HB3 0.01 0.03 0.14 -0.04 1.41 1.55 1llfB1 TYR 1299 H 0.13 0.08 0.16 -0.55 8.29 8.11 1llfB1 TYR 1299 HA 0.03 0.36 0.36 -0.75 4.56 4.56 1llfB1 TYR 1299 HB2 -0.02 -0.04 0.17 -0.04 3.06 3.13 1llfB1 TYR 1299 HB3 0.01 -0.06 0.09 -0.04 2.98 2.98 1llfB1 TYR 1299 HD2 0.00 0.09 0.03 -0.04 7.15 7.23 1llfB1 TYR 1299 HE2 -0.09 -0.05 -0.03 -0.04 6.85 6.64 1llfB1 SER 1300 H 0.13 -0.00 -0.29 -0.55 8.46 7.76 1llfB1 SER 1300 HA -0.04 0.03 0.36 -0.75 4.49 4.09 1llfB1 SER 1300 HB2 0.10 0.01 -0.08 -0.04 3.95 3.94 1llfB1 SER 1300 HB3 0.05 0.18 -0.02 -0.04 3.93 4.11 1llfB1 SER 1301 H 0.09 0.24 -0.59 -0.55 8.46 7.64 1llfB1 SER 1301 HA 0.16 0.27 0.21 -0.75 4.49 4.38 1llfB1 SER 1301 HB2 0.13 0.14 -0.18 -0.04 3.95 3.99 1llfB1 SER 1301 HB3 0.06 0.05 -0.29 -0.04 3.93 3.71 1llfB1 LEU 1302 H -0.00 0.09 0.14 -0.55 8.37 8.05 1llfB1 LEU 1302 HA -0.05 0.06 0.29 -0.75 4.35 3.89 1llfB1 LEU 1302 HB2 -0.13 0.02 0.10 -0.04 1.64 1.59 1llfB1 LEU 1302 HB3 -0.20 -0.01 0.17 -0.04 1.64 1.56 1llfB1 LEU 1302 HG -0.31 -0.01 0.06 -0.04 1.64 1.34 1llfB1 LEU 1302 HD13 -0.48 -0.02 0.00 -0.04 0.93 0.40 1llfB1 LEU 1302 HD23 -0.79 0.01 -0.03 -0.04 0.89 0.04 1llfB1 ARG 1303 H -0.07 0.38 -0.38 -0.55 8.46 7.84 1llfB1 ARG 1303 HA -0.06 0.04 0.78 -0.75 4.34 4.35 1llfB1 ARG 1303 HB2 -0.23 -0.03 0.15 -0.04 1.90 1.75 1llfB1 ARG 1303 HB3 -0.14 0.05 0.15 -0.04 1.80 1.83 1llfB1 ARG 1303 HG2 -0.26 0.01 -0.06 -0.04 1.67 1.32 1llfB1 ARG 1303 HG3 -0.27 0.07 0.12 -0.04 1.67 1.54 1llfB1 ARG 1303 HD2 -0.37 0.02 0.08 -0.04 3.22 2.91 1llfB1 ARG 1303 HD3 -0.42 -0.10 0.02 -0.04 3.22 2.68 1llfB1 LEU 1304 H 0.01 0.34 -0.14 -0.55 8.37 8.03 1llfB1 LEU 1304 HA 0.10 0.07 0.14 -0.75 4.35 3.91 1llfB1 LEU 1304 HB2 0.03 -0.04 -0.10 -0.04 1.64 1.49 1llfB1 LEU 1304 HB3 0.10 -0.02 -0.06 -0.04 1.64 1.62 1llfB1 LEU 1304 HG 0.02 0.17 0.06 -0.04 1.64 1.84 1llfB1 LEU 1304 HD13 0.13 0.03 0.05 -0.04 0.93 1.09 1llfB1 LEU 1304 HD23 0.15 0.02 -0.03 -0.04 0.89 1.00 1llfB1 SER 1305 H 0.02 0.19 0.08 -0.55 8.46 8.21 1llfB1 SER 1305 HA -0.31 0.07 0.48 -0.75 4.49 3.98 1llfB1 SER 1305 HB2 -0.37 0.02 0.05 -0.04 3.95 3.61 1llfB1 SER 1305 HB3 -0.94 -0.09 -0.01 -0.04 3.93 2.85 1llfB1 TYR 1306 H 0.00 0.11 -0.23 -0.55 8.29 7.62 1llfB1 TYR 1306 HA 0.03 0.23 0.74 -0.75 4.56 4.81 1llfB1 TYR 1306 HB2 0.16 0.01 0.05 -0.04 3.06 3.25 1llfB1 TYR 1306 HB3 0.22 0.08 -0.09 -0.04 2.98 3.15 1llfB1 TYR 1306 HD2 0.06 0.10 -0.20 -0.04 7.15 7.07 1llfB1 TYR 1306 HE2 -0.14 0.06 -0.10 -0.04 6.85 6.62 1llfB1 LEU 1307 H -0.02 0.38 0.11 -0.55 8.37 8.29 1llfB1 LEU 1307 HA -0.98 0.04 0.39 -0.75 4.35 3.05 1llfB1 LEU 1307 HB2 -0.51 -0.03 0.11 -0.04 1.64 1.16 1llfB1 LEU 1307 HB3 -0.13 0.09 -0.19 -0.04 1.64 1.36 1llfB1 LEU 1307 HG -0.23 0.23 -0.33 -0.04 1.64 1.28 1llfB1 LEU 1307 HD13 -0.11 -0.04 -0.07 -0.04 0.93 0.67 1llfB1 LEU 1307 HD23 -0.06 -0.01 -0.26 -0.04 0.89 0.53 1llfB1 PRO 1308 HA -0.00 0.01 0.47 -0.51 4.44 4.41 1llfB1 PRO 1308 HB2 -0.26 -0.00 -0.02 -0.04 2.28 1.96 1llfB1 PRO 1308 HB3 -0.08 0.04 0.03 -0.04 2.02 1.97 1llfB1 PRO 1308 HG2 -0.57 0.06 -0.00 -0.04 2.03 1.48 1llfB1 PRO 1308 HG3 -0.64 0.04 0.02 -0.04 2.03 1.41 1llfB1 PRO 1308 HD2 -1.13 0.10 0.16 -0.04 3.68 2.77 1llfB1 PRO 1308 HD3 -2.99 0.10 0.15 -0.04 3.65 0.87 1llfB1 ARG 1309 H 0.02 0.15 0.18 -0.55 8.46 8.25 1llfB1 ARG 1309 HA -0.08 0.20 0.69 -0.75 4.34 4.40 1llfB1 ARG 1309 HB2 -0.00 -0.13 -0.03 -0.04 1.90 1.70 1llfB1 ARG 1309 HB3 -0.02 0.04 -0.14 -0.04 1.80 1.64 1llfB1 ARG 1309 HG2 -0.05 0.03 -0.18 -0.04 1.67 1.42 1llfB1 ARG 1309 HG3 -0.05 0.16 -0.46 -0.04 1.67 1.28 1llfB1 ARG 1309 HD2 -0.00 -0.08 -0.08 -0.04 3.22 3.01 1llfB1 ARG 1309 HD3 -0.00 0.12 -0.39 -0.04 3.22 2.91 1llfB1 PRO 1310 HA -0.04 0.07 0.43 -0.51 4.44 4.39 1llfB1 PRO 1310 HB2 -0.01 -0.07 -0.09 -0.04 2.28 2.07 1llfB1 PRO 1310 HB3 -0.01 0.03 -0.30 -0.04 2.02 1.70 1llfB1 PRO 1310 HG2 0.02 -0.03 -0.16 -0.04 2.03 1.82 1llfB1 PRO 1310 HG3 -0.02 0.13 -0.17 -0.04 2.03 1.94 1llfB1 PRO 1310 HD2 -0.03 0.18 -0.38 -0.04 3.68 3.41 1llfB1 PRO 1310 HD3 -0.08 0.18 0.05 -0.04 3.65 3.76 1llfB1 ASP 1311 H -0.07 0.39 0.37 -0.55 8.40 8.55 1llfB1 ASP 1311 HA -0.04 0.10 0.99 -0.75 4.63 4.93 1llfB1 ASP 1311 HB2 -0.04 0.06 0.19 -0.04 2.71 2.87 1llfB1 ASP 1311 HB3 -0.03 0.09 0.01 -0.04 2.70 2.74 1llfB1 GLY 1312 H -0.06 0.31 0.12 -0.55 8.43 8.24 1llfB1 GLY 1312 HA2 -0.05 0.20 0.35 -0.51 4.01 4.00 1llfB1 GLY 1312 HA3 -0.05 0.10 0.40 -0.51 4.01 3.96 1llfB1 LYS 1313 H -0.12 -0.20 -0.51 -0.55 8.42 7.04 1llfB1 LYS 1313 HA -0.10 0.28 0.88 -0.75 4.32 4.63 1llfB1 LYS 1313 HB2 -0.07 0.12 -0.12 -0.04 1.87 1.75 1llfB1 LYS 1313 HB3 -0.12 -0.16 0.04 -0.04 1.79 1.51 1llfB1 LYS 1313 HG2 -0.12 0.00 -0.19 -0.04 1.46 1.11 1llfB1 LYS 1313 HG2 -0.12 0.00 -0.19 -0.04 1.46 1.11 1llfB1 LYS 1313 HG3 -0.07 0.00 0.01 -0.04 1.46 1.36 1llfB1 LYS 1313 HG3 -0.07 0.00 0.01 -0.04 1.46 1.36 1llfB1 LYS 1313 HD2 -0.02 0.00 0.01 -0.04 1.69 1.64 1llfB1 LYS 1313 HD2 -0.02 0.00 0.01 -0.04 1.69 1.64 1llfB1 LYS 1313 HD3 -0.04 0.00 0.02 -0.04 1.68 1.62 1llfB1 LYS 1313 HD3 -0.04 0.00 0.02 -0.04 1.68 1.62 1llfB1 LYS 1313 HE2 -0.02 0.00 0.03 -0.04 2.99 2.96 1llfB1 LYS 1313 HE2 -0.02 0.00 0.03 -0.04 2.99 2.96 1llfB1 LYS 1313 HE3 -0.05 -0.05 -0.03 -0.04 2.99 2.82 1llfB1 LYS 1313 HE3 -0.05 -0.05 -0.03 -0.04 2.99 2.82 1llfB1 ASN 1314 H -0.30 0.01 0.08 -0.55 8.53 7.77 1llfB1 ASN 1314 HA -0.62 0.26 0.91 -0.75 4.76 4.56 1llfB1 ASN 1314 HB2 -1.04 -0.02 0.03 -0.04 2.88 1.81 1llfB1 ASN 1314 HB3 -2.69 0.05 0.06 -0.04 2.79 0.18 1llfB1 ASN 1314 HD21 -0.49 0.00 0.03 -0.04 7.03 6.53 1llfB1 ASN 1314 HD22 -0.49 0.00 0.03 -0.04 7.74 7.24 1llfB1 ILE 1315 H -0.31 -0.06 0.02 -0.55 8.25 7.35 1llfB1 ILE 1315 HA -0.15 0.30 0.64 -0.75 4.18 4.21 1llfB1 ILE 1315 HB -0.07 -0.14 0.18 -0.04 1.89 1.81 1llfB1 ILE 1315 HG12 0.07 0.20 -0.04 -0.04 1.49 1.69 1llfB1 ILE 1315 HG13 -0.17 -0.07 -0.26 -0.04 1.21 0.66 1llfB1 ILE 1315 HG23 -0.01 0.02 -0.09 -0.04 0.93 0.81 1llfB1 ILE 1315 HD13 0.15 0.02 -0.11 -0.04 0.88 0.89 1llfB1 THR 1316 H -0.08 0.35 -0.07 -0.55 8.28 7.93 1llfB1 THR 1316 HA -0.08 -0.11 0.02 -0.75 4.39 3.47 1llfB1 THR 1316 HB -0.05 0.05 -0.01 -0.04 4.32 4.28 1llfB1 THR 1316 HG23 -0.10 0.04 -0.24 -0.04 1.22 0.88 1llfB1 ASP 1317 H -0.02 0.22 -0.24 -0.55 8.40 7.81 1llfB1 ASP 1317 HA 0.00 0.07 0.52 -0.75 4.63 4.47 1llfB1 ASP 1317 HB2 -0.00 0.12 -0.39 -0.04 2.71 2.41 1llfB1 ASP 1317 HB3 0.02 0.06 -0.15 -0.04 2.70 2.59 1llfB1 ASP 1318 H 0.06 0.15 0.11 -0.55 8.40 8.17 1llfB1 ASP 1318 HA 0.16 0.14 0.52 -0.75 4.63 4.70 1llfB1 ASP 1318 HB2 0.17 0.10 0.17 -0.04 2.71 3.11 1llfB1 ASP 1318 HB3 0.10 0.03 0.15 -0.04 2.70 2.94 1llfB1 MET 1319 H 0.06 0.25 0.26 -0.55 8.47 8.48 1llfB1 MET 1319 HA 0.06 0.17 0.30 -0.75 4.52 4.29 1llfB1 MET 1319 HB2 -0.04 0.07 0.14 -0.04 2.15 2.28 1llfB1 MET 1319 HB3 -0.02 0.03 0.05 -0.04 2.03 2.05 1llfB1 MET 1319 HG2 0.01 0.06 0.03 -0.04 2.63 2.68 1llfB1 MET 1319 HG3 -0.04 0.00 0.12 -0.04 2.56 2.60 1llfB1 MET 1319 HE3 -0.09 0.02 -0.13 -0.04 2.10 1.85 1llfB1 TYR 1320 H 0.39 0.06 -0.17 -0.55 8.29 8.03 1llfB1 TYR 1320 HA 0.05 0.16 0.56 -0.75 4.56 4.57 1llfB1 TYR 1320 HB2 0.08 -0.10 0.00 -0.04 3.06 3.00 1llfB1 TYR 1320 HB3 -0.23 0.11 -0.07 -0.04 2.98 2.75 1llfB1 TYR 1320 HD2 -0.86 -0.02 -0.05 -0.04 7.15 6.18 1llfB1 TYR 1320 HE2 -0.29 0.04 -0.16 -0.04 6.85 6.40 1llfB1 LYS 1321 H 0.20 0.03 -0.36 -0.55 8.42 7.74 1llfB1 LYS 1321 HA 0.11 0.11 0.42 -0.75 4.32 4.20 1llfB1 LYS 1321 HB2 0.07 -0.07 0.04 -0.04 1.87 1.87 1llfB1 LYS 1321 HB3 0.08 0.12 0.04 -0.04 1.79 1.98 1llfB1 LYS 1321 HG2 0.04 0.05 -0.22 -0.04 1.46 1.29 1llfB1 LYS 1321 HG3 0.05 0.03 -0.01 -0.04 1.46 1.49 1llfB1 LYS 1321 HD2 0.01 -0.02 -0.01 -0.04 1.69 1.63 1llfB1 LYS 1321 HD3 0.02 -0.07 -0.02 -0.04 1.68 1.58 1llfB1 LYS 1321 HE2 0.00 -0.02 -0.02 -0.04 2.99 2.91 1llfB1 LYS 1321 HE3 0.01 0.03 -0.06 -0.04 2.99 2.93 1llfB1 LEU 1322 H 0.11 0.40 -0.23 -0.55 8.37 8.10 1llfB1 LEU 1322 HA 0.06 0.04 0.36 -0.75 4.35 4.06 1llfB1 LEU 1322 HB2 0.11 0.06 0.06 -0.04 1.64 1.82 1llfB1 LEU 1322 HB3 0.10 0.17 -0.02 -0.04 1.64 1.85 1llfB1 LEU 1322 HG 0.06 0.12 -0.19 -0.04 1.64 1.59 1llfB1 LEU 1322 HD13 0.04 -0.05 -0.01 -0.04 0.93 0.87 1llfB1 LEU 1322 HD23 0.02 -0.02 -0.06 -0.04 0.89 0.79 1llfB1 VAL 1323 H 0.16 0.35 -0.38 -0.55 8.24 7.81 1llfB1 VAL 1323 HA 0.49 0.10 0.34 -0.75 4.13 4.30 1llfB1 VAL 1323 HB 0.21 0.01 0.11 -0.04 2.12 2.41 1llfB1 VAL 1323 HG13 0.22 -0.00 -0.15 -0.04 0.97 1.00 1llfB1 VAL 1323 HG23 0.26 0.01 -0.04 -0.04 0.95 1.14 1llfB1 ARG 1324 H 0.16 0.53 -0.09 -0.55 8.46 8.50 1llfB1 ARG 1324 HA 0.09 0.05 0.43 -0.75 4.34 4.15 1llfB1 ARG 1324 HB2 0.08 0.06 0.13 -0.04 1.90 2.13 1llfB1 ARG 1324 HB3 0.08 0.03 0.08 -0.04 1.80 1.96 1llfB1 ARG 1324 HG2 0.09 0.02 -0.04 -0.04 1.67 1.70 1llfB1 ARG 1324 HG3 -0.02 -0.00 0.04 -0.04 1.67 1.65 1llfB1 ARG 1324 HD2 0.06 0.03 -0.12 -0.04 3.22 3.16 1llfB1 ARG 1324 HD2 0.06 0.03 -0.12 -0.04 3.22 3.16 1llfB1 ARG 1324 HD3 0.08 0.00 -0.03 -0.04 3.22 3.23 1llfB1 ARG 1324 HD3 0.08 0.00 -0.03 -0.04 3.22 3.23 1llfB1 ASP 1325 H 0.09 0.42 -0.48 -0.55 8.40 7.88 1llfB1 ASP 1325 HA 0.03 0.08 0.49 -0.75 4.63 4.47 1llfB1 ASP 1325 HB2 0.02 0.07 0.06 -0.04 2.71 2.83 1llfB1 ASP 1325 HB3 -0.00 -0.05 0.10 -0.04 2.70 2.71 1llfB1 GLY 1326 H 0.03 0.34 -0.41 -0.55 8.43 7.85 1llfB1 GLY 1326 HA2 -0.73 0.02 0.29 -0.51 4.01 3.08 1llfB1 GLY 1326 HA3 -0.27 0.06 0.49 -0.51 4.01 3.79 1llfB1 LYS 1327 H -0.11 0.50 -0.11 -0.55 8.42 8.14 1llfB1 LYS 1327 HA -0.13 0.25 0.51 -0.75 4.32 4.20 1llfB1 LYS 1327 HB2 0.01 -0.11 0.14 -0.04 1.87 1.87 1llfB1 LYS 1327 HB3 0.00 -0.09 0.13 -0.04 1.79 1.78 1llfB1 LYS 1327 HG2 -0.05 0.10 -0.06 -0.04 1.46 1.41 1llfB1 LYS 1327 HG3 -0.05 0.06 -0.20 -0.04 1.46 1.24 1llfB1 LYS 1327 HD2 -0.00 -0.09 -0.05 -0.04 1.69 1.51 1llfB1 LYS 1327 HD3 -0.01 -0.07 -0.00 -0.04 1.68 1.55 1llfB1 LYS 1327 HE2 -0.02 -0.08 -0.05 -0.04 2.99 2.80 1llfB1 LYS 1327 HE3 -0.02 0.06 -0.03 -0.04 2.99 2.96 1llfB1 TYR 1328 H -0.40 0.59 -0.11 -0.55 8.29 7.82 1llfB1 TYR 1328 HA 0.18 0.26 0.70 -0.75 4.56 4.94 1llfB1 TYR 1328 HB2 0.38 0.10 -0.08 -0.04 3.06 3.41 1llfB1 TYR 1328 HB3 0.26 -0.11 -0.30 -0.04 2.98 2.80 1llfB1 TYR 1328 HD2 0.19 0.06 -0.33 -0.04 7.15 7.03 1llfB1 TYR 1328 HE2 -0.07 0.17 -0.03 -0.04 6.85 6.88 1llfB1 ALA 1329 H 0.38 0.50 0.29 -0.55 8.40 9.02 1llfB1 ALA 1329 HA 0.17 0.13 0.68 -0.75 4.34 4.57 1llfB1 ALA 1329 HB3 0.21 -0.01 0.09 -0.04 1.41 1.66 1llfB1 SER 1330 H 0.12 0.12 0.22 -0.55 8.46 8.37 1llfB1 SER 1330 HA 0.18 0.06 0.91 -0.75 4.49 4.89 1llfB1 SER 1330 HB2 0.06 0.00 0.29 -0.04 3.95 4.26 1llfB1 SER 1330 HB2 0.06 0.00 0.29 -0.04 3.95 4.26 1llfB1 SER 1330 HB3 0.05 0.00 0.20 -0.04 3.93 4.13 1llfB1 SER 1330 HB3 0.05 0.00 0.20 -0.04 3.93 4.13 1llfB1 VAL 1331 H 0.34 0.28 0.03 -0.55 8.24 8.34 1llfB1 VAL 1331 HA 0.13 0.14 0.51 -0.75 4.13 4.16 1llfB1 VAL 1331 HB 0.20 0.14 -0.26 -0.04 2.12 2.16 1llfB1 VAL 1331 HG13 0.14 -0.03 -0.31 -0.04 0.97 0.73 1llfB1 VAL 1331 HG23 0.36 -0.03 -0.37 -0.04 0.95 0.87 1llfB1 PRO 1332 HA 0.26 0.08 0.59 -0.51 4.44 4.87 1llfB1 PRO 1332 HB2 0.47 0.02 0.06 -0.04 2.28 2.79 1llfB1 PRO 1332 HB3 0.20 -0.13 0.24 -0.04 2.02 2.29 1llfB1 PRO 1332 HG2 -0.01 -0.02 0.19 -0.04 2.03 2.15 1llfB1 PRO 1332 HG3 0.03 0.05 0.19 -0.04 2.03 2.25 1llfB1 PRO 1332 HD2 0.09 0.48 0.41 -0.04 3.68 4.62 1llfB1 PRO 1332 HD3 0.09 0.07 0.25 -0.04 3.65 4.02 1llfB1 VAL 1333 H 0.27 0.70 0.37 -0.55 8.24 9.03 1llfB1 VAL 1333 HA 0.26 0.30 1.02 -0.75 4.13 4.96 1llfB1 VAL 1333 HB -0.01 -0.02 -0.05 -0.04 2.12 1.99 1llfB1 VAL 1333 HG13 0.04 0.02 -0.29 -0.04 0.97 0.69 1llfB1 VAL 1333 HG23 0.15 -0.02 -0.09 -0.04 0.95 0.94 1llfB1 ILE 1334 H -0.11 0.61 0.43 -0.55 8.25 8.64 1llfB1 ILE 1334 HA -0.12 0.32 0.93 -0.75 4.18 4.56 1llfB1 ILE 1334 HB -0.36 -0.04 0.13 -0.04 1.89 1.58 1llfB1 ILE 1334 HG12 -0.86 0.01 -0.02 -0.04 1.49 0.58 1llfB1 ILE 1334 HG13 -1.79 0.06 -0.19 -0.04 1.21 -0.75 1llfB1 ILE 1334 HG23 0.31 -0.04 -0.25 -0.04 0.93 0.91 1llfB1 ILE 1334 HD13 -0.58 -0.02 -0.14 -0.04 0.88 0.10 1llfB1 ILE 1335 H 0.05 0.71 0.40 -0.55 8.25 8.86 1llfB1 ILE 1335 HA -0.04 0.20 0.89 -0.75 4.18 4.47 1llfB1 ILE 1335 HB -0.16 0.09 -0.03 -0.04 1.89 1.74 1llfB1 ILE 1335 HG12 -0.10 -0.09 -0.13 -0.04 1.49 1.12 1llfB1 ILE 1335 HG13 -0.12 0.08 0.19 -0.04 1.21 1.32 1llfB1 ILE 1335 HG23 -0.00 0.01 -0.02 -0.04 0.93 0.88 1llfB1 ILE 1335 HD13 -0.25 -0.01 -0.09 -0.04 0.88 0.49 1llfB1 GLY 1336 H -0.21 0.60 0.44 -0.55 8.43 8.71 1llfB1 GLY 1336 HA2 -0.50 0.24 0.87 -0.51 4.01 4.11 1llfB1 GLY 1336 HA3 -2.43 -0.05 0.44 -0.51 4.01 1.47 1llfB1 ASP 1337 H -0.41 0.58 0.36 -0.55 8.40 8.39 1llfB1 ASP 1337 HA 0.03 0.04 0.90 -0.75 4.63 4.85 1llfB1 ASP 1337 HB2 0.06 0.06 0.01 -0.04 2.71 2.80 1llfB1 ASP 1337 HB3 0.10 0.14 -0.00 -0.04 2.70 2.90 1llfB1 GLN 1338 H 0.09 0.13 0.18 -0.55 8.47 8.33 1llfB1 GLN 1338 HA 0.15 0.10 0.87 -0.75 4.36 4.73 1llfB1 GLN 1338 HB2 0.08 -0.05 -0.06 -0.04 2.15 2.08 1llfB1 GLN 1338 HB3 0.06 0.16 -0.14 -0.04 2.02 2.06 1llfB1 GLN 1338 HG2 0.07 -0.02 -0.01 -0.04 2.40 2.39 1llfB1 GLN 1338 HG3 -0.03 -0.02 -0.02 -0.04 2.39 2.28 1llfB1 GLN 1338 HE21 0.30 0.01 -0.26 -0.04 6.97 6.97 1llfB1 GLN 1338 HE22 0.44 0.07 -0.15 -0.04 7.69 8.01 1llfB1 ASN 1339 H 0.10 0.41 0.31 -0.55 8.53 8.80 1llfB1 ASN 1339 HA 0.09 0.06 0.23 -0.75 4.76 4.39 1llfB1 ASN 1339 HB2 0.07 0.25 0.24 -0.04 2.88 3.40 1llfB1 ASN 1339 HB3 0.13 -0.12 0.15 -0.04 2.79 2.91 1llfB1 ASN 1339 HD21 0.06 0.04 -0.03 -0.04 7.03 7.06 1llfB1 ASN 1339 HD22 0.14 -0.04 0.00 -0.04 7.74 7.80 1llfB1 ASP 1340 H 0.13 0.47 -0.20 -0.55 8.40 8.25 1llfB1 ASP 1340 HA 0.14 0.19 0.84 -0.75 4.63 5.05 1llfB1 ASP 1340 HB2 0.13 0.08 -0.13 -0.04 2.71 2.74 1llfB1 ASP 1340 HB3 0.03 0.05 0.04 -0.04 2.70 2.78 1llfB1 GLU 1341 H 0.18 0.41 -0.24 -0.55 8.60 8.40 1llfB1 GLU 1341 HA 0.16 -0.08 0.33 -0.75 4.29 3.95 1llfB1 GLU 1341 HB2 0.26 0.00 0.14 -0.04 2.09 2.45 1llfB1 GLU 1341 HB3 -0.09 0.03 0.08 -0.04 1.99 1.96 1llfB1 GLU 1341 HG2 0.14 0.34 0.14 -0.04 2.34 2.92 1llfB1 GLU 1341 HG3 0.16 0.04 0.11 -0.04 2.34 2.60 1llfB1 GLY 1342 H 0.16 0.11 -0.33 -0.55 8.43 7.83 1llfB1 GLY 1342 HA2 0.41 0.10 0.28 -0.51 4.01 4.29 1llfB1 GLY 1342 HA3 0.17 0.31 0.39 -0.51 4.01 4.37 1llfB1 THR 1343 H 0.08 0.40 -0.27 -0.55 8.28 7.95 1llfB1 THR 1343 HA -0.06 0.08 0.16 -0.75 4.39 3.81 1llfB1 THR 1343 HB 0.20 0.15 0.04 -0.04 4.32 4.66 1llfB1 THR 1343 HG23 -0.06 0.01 -0.20 -0.04 1.22 0.93 1llfB1 ILE 1344 H -0.05 0.13 -0.06 -0.55 8.25 7.72 1llfB1 ILE 1344 HA -0.05 0.11 0.49 -0.75 4.18 3.97 1llfB1 ILE 1344 HB -0.60 -0.01 0.09 -0.04 1.89 1.33 1llfB1 ILE 1344 HG12 -0.17 0.05 0.02 -0.04 1.49 1.35 1llfB1 ILE 1344 HG13 -0.07 -0.08 0.06 -0.04 1.21 1.08 1llfB1 ILE 1344 HG23 -0.22 0.02 -0.10 -0.04 0.93 0.59 1llfB1 ILE 1344 HD13 -0.08 0.00 0.00 -0.04 0.88 0.76 1llfB1 PHE 1345 H -0.22 0.13 -0.27 -0.55 8.34 7.43 1llfB1 PHE 1345 HA 0.14 0.15 0.48 -0.75 4.62 4.64 1llfB1 PHE 1345 HB2 0.11 0.07 0.11 -0.04 3.15 3.40 1llfB1 PHE 1345 HB3 0.12 0.01 0.09 -0.04 3.06 3.24 1llfB1 PHE 1345 HD2 0.17 0.09 0.01 -0.04 7.28 7.51 1llfB1 PHE 1345 HE2 -0.12 -0.01 -0.02 -0.04 7.38 7.19 1llfB1 PHE 1345 HZ 0.06 -0.07 -0.02 -0.04 7.32 7.25 1llfB1 GLY 1346 H 0.20 0.40 -0.14 -0.55 8.43 8.34 1llfB1 GLY 1346 HA2 0.18 0.04 0.40 -0.51 4.01 4.12 1llfB1 GLY 1346 HA3 0.17 0.06 0.29 -0.51 4.01 4.02 1llfB1 LEU 1347 H 0.21 0.35 -0.58 -0.55 8.37 7.81 1llfB1 LEU 1347 HA 0.03 -0.00 0.49 -0.75 4.35 4.11 1llfB1 LEU 1347 HB2 0.03 0.22 0.09 -0.04 1.64 1.94 1llfB1 LEU 1347 HB3 -0.03 -0.09 0.13 -0.04 1.64 1.61 1llfB1 LEU 1347 HG 0.14 0.25 0.12 -0.04 1.64 2.10 1llfB1 LEU 1347 HD13 -0.05 -0.02 0.03 -0.04 0.93 0.84 1llfB1 LEU 1347 HD23 -0.27 -0.03 -0.01 -0.04 0.89 0.53 1llfB1 SER 1348 H 0.13 0.42 -0.60 -0.55 8.46 7.87 1llfB1 SER 1348 HA 0.06 0.08 0.54 -0.75 4.49 4.42 1llfB1 SER 1348 HB2 0.14 0.11 0.04 -0.04 3.95 4.20 1llfB1 SER 1348 HB3 0.11 0.03 -0.15 -0.04 3.93 3.87 1llfB1 SER 1349 H 0.04 0.37 -0.37 -0.55 8.46 7.96 1llfB1 SER 1349 HA 0.06 0.16 0.84 -0.75 4.49 4.79 1llfB1 SER 1349 HB2 -0.69 -0.10 0.17 -0.04 3.95 3.29 1llfB1 SER 1349 HB3 -0.69 0.18 -0.09 -0.04 3.93 3.29 1llfB1 LEU 1350 H 0.01 0.30 -0.20 -0.55 8.37 7.93 1llfB1 LEU 1350 HA 0.00 0.11 0.27 -0.75 4.35 3.98 1llfB1 LEU 1350 HB2 -0.04 0.03 0.04 -0.04 1.64 1.63 1llfB1 LEU 1350 HB3 -0.05 -0.00 0.09 -0.04 1.64 1.63 1llfB1 LEU 1350 HG -0.01 0.07 0.02 -0.04 1.64 1.67 1llfB1 LEU 1350 HD13 -0.13 -0.00 0.05 -0.04 0.93 0.80 1llfB1 LEU 1350 HD23 -0.11 -0.01 -0.05 -0.04 0.89 0.68 1llfB1 ASN 1351 H -0.01 0.09 -0.45 -0.55 8.53 7.61 1llfB1 ASN 1351 HA -0.03 0.17 0.74 -0.75 4.76 4.89 1llfB1 ASN 1351 HB2 -0.06 -0.01 0.12 -0.04 2.88 2.88 1llfB1 ASN 1351 HB3 -0.06 0.00 0.03 -0.04 2.79 2.72 1llfB1 ASN 1351 HD21 -0.15 0.00 -0.02 -0.04 7.03 6.82 1llfB1 ASN 1351 HD22 -0.16 0.00 -0.02 -0.04 7.74 7.53 1llfB1 VAL 1352 H -0.05 0.53 -0.28 -0.55 8.24 7.90 1llfB1 VAL 1352 HA -0.04 0.02 0.75 -0.75 4.13 4.10 1llfB1 VAL 1352 HB -0.16 0.20 0.19 -0.04 2.12 2.32 1llfB1 VAL 1352 HG13 -0.12 -0.04 -0.29 -0.04 0.97 0.48 1llfB1 VAL 1352 HG23 -0.23 -0.02 -0.04 -0.04 0.95 0.62 1llfB1 THR 1353 H -0.01 0.08 0.10 -0.55 8.28 7.90 1llfB1 THR 1353 HA 0.01 0.10 0.89 -0.75 4.39 4.63 1llfB1 THR 1353 HB 0.01 -0.01 0.09 -0.04 4.32 4.37 1llfB1 THR 1353 HG23 -0.01 0.07 -0.31 -0.04 1.22 0.93 1llfB1 THR 1354 H 0.00 -0.01 0.15 -0.55 8.28 7.88 1llfB1 THR 1354 HA 0.02 0.29 0.90 -0.75 4.39 4.85 1llfB1 THR 1354 HB 0.02 -0.01 0.17 -0.04 4.32 4.46 1llfB1 THR 1354 HG23 0.01 0.05 -0.01 -0.04 1.22 1.24 1llfB1 ASN 1355 H 0.04 0.23 0.16 -0.55 8.53 8.42 1llfB1 ASN 1355 HA 0.06 0.16 0.45 -0.75 4.76 4.68 1llfB1 ASN 1355 HB2 0.05 -0.02 0.14 -0.04 2.88 3.01 1llfB1 ASN 1355 HB3 0.07 0.08 0.05 -0.04 2.79 2.95 1llfB1 ASN 1355 HD21 0.06 0.02 0.05 -0.04 7.03 7.12 1llfB1 ASN 1355 HD22 0.05 0.01 0.06 -0.04 7.74 7.82 1llfB1 ALA 1356 H 0.03 0.09 -0.11 -0.55 8.40 7.86 1llfB1 ALA 1356 HA 0.05 0.16 0.38 -0.75 4.34 4.16 1llfB1 ALA 1356 HB3 0.03 0.03 0.04 -0.04 1.41 1.47 1llfB1 GLN 1357 H 0.01 0.01 -0.29 -0.55 8.47 7.65 1llfB1 GLN 1357 HA 0.02 0.12 0.51 -0.75 4.36 4.25 1llfB1 GLN 1357 HB2 -0.01 -0.07 0.15 -0.04 2.15 2.18 1llfB1 GLN 1357 HB3 -0.01 0.08 0.06 -0.04 2.02 2.11 1llfB1 GLN 1357 HG2 0.01 0.10 0.05 -0.04 2.40 2.52 1llfB1 GLN 1357 HG3 0.01 -0.08 0.04 -0.04 2.39 2.32 1llfB1 GLN 1357 HE21 -0.01 0.07 0.07 -0.04 6.97 7.06 1llfB1 GLN 1357 HE22 -0.00 0.03 0.04 -0.04 7.69 7.71 1llfB1 ALA 1358 H -0.02 0.53 -0.18 -0.55 8.40 8.18 1llfB1 ALA 1358 HA -0.24 0.05 0.48 -0.75 4.34 3.88 1llfB1 ALA 1358 HB3 -0.12 0.03 0.02 -0.04 1.41 1.30 1llfB1 ARG 1359 H 0.03 0.56 -0.18 -0.55 8.46 8.32 1llfB1 ARG 1359 HA 0.26 0.04 0.39 -0.75 4.34 4.27 1llfB1 ARG 1359 HB2 0.12 0.03 0.10 -0.04 1.90 2.12 1llfB1 ARG 1359 HB3 0.08 0.08 0.14 -0.04 1.80 2.06 1llfB1 ARG 1359 HG2 0.11 0.00 -0.17 -0.04 1.67 1.57 1llfB1 ARG 1359 HG3 0.16 -0.00 -0.01 -0.04 1.67 1.77 1llfB1 ARG 1359 HD2 0.08 -0.02 -0.04 -0.04 3.22 3.21 1llfB1 ARG 1359 HD3 0.07 -0.00 -0.04 -0.04 3.22 3.21 1llfB1 ALA 1360 H 0.04 0.46 -0.21 -0.55 8.40 8.14 1llfB1 ALA 1360 HA 0.05 0.03 0.41 -0.75 4.34 4.08 1llfB1 ALA 1360 HB3 0.05 0.01 0.10 -0.04 1.41 1.53 1llfB1 TYR 1361 H 0.04 0.55 -0.18 -0.55 8.29 8.16 1llfB1 TYR 1361 HA -0.09 0.03 0.49 -0.75 4.56 4.25 1llfB1 TYR 1361 HB2 -0.12 -0.01 0.12 -0.04 3.06 3.00 1llfB1 TYR 1361 HB3 -0.41 0.06 0.15 -0.04 2.98 2.74 1llfB1 TYR 1361 HD2 -0.33 -0.03 -0.03 -0.04 7.15 6.72 1llfB1 TYR 1361 HE2 -0.66 0.02 -0.07 -0.04 6.85 6.10 1llfB1 PHE 1362 H -0.18 0.68 -0.05 -0.55 8.34 8.23 1llfB1 PHE 1362 HA -0.36 0.03 0.47 -0.75 4.62 4.01 1llfB1 PHE 1362 HB2 0.11 0.09 0.13 -0.04 3.15 3.45 1llfB1 PHE 1362 HB3 0.28 -0.03 -0.01 -0.04 3.06 3.26 1llfB1 PHE 1362 HD2 0.05 -0.02 -0.09 -0.04 7.28 7.17 1llfB1 PHE 1362 HE2 0.11 -0.02 -0.08 -0.04 7.38 7.34 1llfB1 PHE 1362 HZ 0.09 -0.02 -0.16 -0.04 7.32 7.19 1llfB1 LYS 1363 H 0.12 0.58 -0.15 -0.55 8.42 8.41 1llfB1 LYS 1363 HA 0.08 0.12 0.42 -0.75 4.32 4.18 1llfB1 LYS 1363 HB2 0.04 0.01 0.11 -0.04 1.87 1.99 1llfB1 LYS 1363 HB3 0.02 -0.02 -0.02 -0.04 1.79 1.73 1llfB1 LYS 1363 HG2 0.08 0.04 -0.02 -0.04 1.46 1.52 1llfB1 LYS 1363 HG3 0.13 0.15 0.04 -0.04 1.46 1.74 1llfB1 LYS 1363 HD2 0.07 -0.09 -0.05 -0.04 1.69 1.57 1llfB1 LYS 1363 HD3 0.05 -0.04 -0.06 -0.04 1.68 1.59 1llfB1 LYS 1363 HE2 0.02 0.08 -0.02 -0.04 2.99 3.02 1llfB1 LYS 1363 HE3 0.03 0.01 -0.07 -0.04 2.99 2.92 1llfB1 GLN 1364 H -0.06 0.48 -0.26 -0.55 8.47 8.07 1llfB1 GLN 1364 HA -0.09 0.01 0.44 -0.75 4.36 3.97 1llfB1 GLN 1364 HB2 -0.00 -0.03 0.10 -0.04 2.15 2.18 1llfB1 GLN 1364 HB3 -0.11 0.10 0.14 -0.04 2.02 2.11 1llfB1 GLN 1364 HG2 -0.10 0.04 -0.17 -0.04 2.40 2.13 1llfB1 GLN 1364 HG3 -0.01 -0.06 0.03 -0.04 2.39 2.31 1llfB1 GLN 1364 HE21 0.10 0.02 -0.05 -0.04 6.97 7.00 1llfB1 GLN 1364 HE22 0.32 -0.07 -0.05 -0.04 7.69 7.85 1llfB1 SER 1365 H -0.37 0.38 -0.34 -0.55 8.46 7.58 1llfB1 SER 1365 HA -0.43 0.06 0.49 -0.75 4.49 3.86 1llfB1 SER 1365 HB2 -1.13 0.04 0.11 -0.04 3.95 2.92 1llfB1 SER 1365 HB3 -0.81 -0.08 0.03 -0.04 3.93 3.04 1llfB1 PHE 1366 H -0.23 0.42 -0.31 -0.55 8.34 7.66 1llfB1 PHE 1366 HA -0.11 0.20 0.78 -0.75 4.62 4.74 1llfB1 PHE 1366 HB2 -0.06 0.03 0.20 -0.04 3.15 3.29 1llfB1 PHE 1366 HB3 -0.19 0.01 0.18 -0.04 3.06 3.01 1llfB1 PHE 1366 HD2 0.09 0.06 -0.11 -0.04 7.28 7.28 1llfB1 PHE 1366 HE2 -0.05 -0.03 -0.05 -0.04 7.38 7.20 1llfB1 PHE 1366 HZ -0.05 -0.09 -0.08 -0.04 7.32 7.06 1llfB1 ILE 1367 H -0.17 0.29 -0.05 -0.55 8.25 7.77 1llfB1 ILE 1367 HA -0.14 0.21 0.30 -0.75 4.18 3.80 1llfB1 ILE 1367 HB -0.22 -0.06 0.11 -0.04 1.89 1.68 1llfB1 ILE 1367 HG12 -0.47 0.10 0.08 -0.04 1.49 1.16 1llfB1 ILE 1367 HG13 -1.13 -0.01 -0.19 -0.04 1.21 -0.17 1llfB1 ILE 1367 HG23 -0.19 0.03 -0.00 -0.04 0.93 0.73 1llfB1 ILE 1367 HD13 -0.19 -0.04 0.01 -0.04 0.88 0.63 1llfB1 HIS 1368 H -0.23 0.14 -0.36 -0.55 8.41 7.42 1llfB1 HIS 1368 HA -0.09 0.09 0.72 -0.75 4.63 4.59 1llfB1 HIS 1368 HB2 -0.18 0.17 0.05 -0.04 3.26 3.26 1llfB1 HIS 1368 HB3 -0.15 -0.10 0.12 -0.04 3.20 3.03 1llfB1 HIS 1368 HD2 0.00 0.14 -0.03 -0.04 6.97 7.04 1llfB1 HIS 1368 HE1 -0.01 -0.07 -0.01 -0.04 7.75 7.62 1llfB1 ALA 1369 H -0.13 0.38 -0.16 -0.55 8.40 7.94 1llfB1 ALA 1369 HA -0.33 -0.05 0.58 -0.75 4.34 3.79 1llfB1 ALA 1369 HB3 -0.42 0.03 0.04 -0.04 1.41 1.02 1llfB1 SER 1370 H -0.13 0.09 0.23 -0.55 8.46 8.11 1llfB1 SER 1370 HA -0.04 0.20 0.58 -0.75 4.49 4.47 1llfB1 SER 1370 HB2 -0.02 -0.05 0.18 -0.04 3.95 4.01 1llfB1 SER 1370 HB3 -0.05 0.17 0.17 -0.04 3.93 4.18 1llfB1 ASP 1371 H -0.00 0.21 0.17 -0.55 8.40 8.24 1llfB1 ASP 1371 HA 0.03 0.15 0.46 -0.75 4.63 4.51 1llfB1 ASP 1371 HB2 0.01 -0.01 0.16 -0.04 2.71 2.83 1llfB1 ASP 1371 HB3 0.02 0.02 -0.01 -0.04 2.70 2.69 1llfB1 ALA 1372 H 0.00 0.10 -0.15 -0.55 8.40 7.81 1llfB1 ALA 1372 HA 0.02 0.10 0.46 -0.75 4.34 4.17 1llfB1 ALA 1372 HB3 0.01 0.03 0.04 -0.04 1.41 1.44 1llfB1 GLU 1373 H -0.01 0.04 -0.27 -0.55 8.60 7.82 1llfB1 GLU 1373 HA 0.06 0.09 0.53 -0.75 4.29 4.21 1llfB1 GLU 1373 HB2 -0.10 0.03 0.13 -0.04 2.09 2.11 1llfB1 GLU 1373 HB3 -0.00 0.12 0.04 -0.04 1.99 2.10 1llfB1 GLU 1373 HG2 0.00 0.08 0.04 -0.04 2.34 2.42 1llfB1 GLU 1373 HG3 -0.04 -0.12 0.05 -0.04 2.34 2.19 1llfB1 ILE 1374 H 0.04 0.49 -0.28 -0.55 8.25 7.95 1llfB1 ILE 1374 HA 0.15 0.09 0.46 -0.75 4.18 4.12 1llfB1 ILE 1374 HB 0.09 0.04 0.11 -0.04 1.89 2.08 1llfB1 ILE 1374 HG12 0.05 0.05 -0.16 -0.04 1.49 1.38 1llfB1 ILE 1374 HG13 0.10 0.03 -0.13 -0.04 1.21 1.16 1llfB1 ILE 1374 HG23 0.19 -0.01 -0.11 -0.04 0.93 0.96 1llfB1 ILE 1374 HD13 0.27 0.02 -0.14 -0.04 0.88 0.98 1llfB1 ASP 1375 H 0.06 0.60 -0.10 -0.55 8.40 8.42 1llfB1 ASP 1375 HA 0.08 -0.00 0.43 -0.75 4.63 4.38 1llfB1 ASP 1375 HB2 0.04 0.13 0.17 -0.04 2.71 3.01 1llfB1 ASP 1375 HB3 0.05 -0.05 -0.02 -0.04 2.70 2.64 1llfB1 THR 1376 H 0.06 0.51 -0.31 -0.55 8.28 7.99 1llfB1 THR 1376 HA 0.04 -0.00 0.35 -0.75 4.39 4.02 1llfB1 THR 1376 HB 0.06 0.13 0.16 -0.04 4.32 4.64 1llfB1 THR 1376 HG23 0.02 -0.01 -0.07 -0.04 1.22 1.11 1llfB1 LEU 1377 H 0.08 0.57 -0.20 -0.55 8.37 8.27 1llfB1 LEU 1377 HA 0.04 -0.01 0.42 -0.75 4.35 4.05 1llfB1 LEU 1377 HB2 0.00 0.10 0.08 -0.04 1.64 1.78 1llfB1 LEU 1377 HB3 0.02 0.08 0.15 -0.04 1.64 1.84 1llfB1 LEU 1377 HG -0.20 -0.03 -0.23 -0.04 1.64 1.14 1llfB1 LEU 1377 HD13 -0.38 -0.01 -0.04 -0.04 0.93 0.45 1llfB1 LEU 1377 HD23 -0.42 -0.00 -0.06 -0.04 0.89 0.36 1llfB1 MET 1378 H 0.08 0.67 -0.19 -0.55 8.47 8.48 1llfB1 MET 1378 HA 0.15 0.16 0.35 -0.75 4.52 4.43 1llfB1 MET 1378 HB2 0.13 0.06 0.07 -0.04 2.15 2.37 1llfB1 MET 1378 HB3 0.17 -0.11 0.04 -0.04 2.03 2.08 1llfB1 MET 1378 HG2 0.33 -0.01 -0.06 -0.04 2.63 2.85 1llfB1 MET 1378 HG3 0.18 0.18 0.02 -0.04 2.56 2.89 1llfB1 MET 1378 HE3 0.23 0.01 -0.02 -0.04 2.10 2.28 1llfB1 ALA 1379 H 0.07 0.43 -0.38 -0.55 8.40 7.97 1llfB1 ALA 1379 HA 0.05 0.02 0.60 -0.75 4.34 4.26 1llfB1 ALA 1379 HB3 0.03 0.01 0.04 -0.04 1.41 1.45 1llfB1 ALA 1380 H 0.03 0.49 -0.19 -0.55 8.40 8.18 1llfB1 ALA 1380 HA -0.09 -0.05 0.36 -0.75 4.34 3.80 1llfB1 ALA 1380 HB3 -0.12 -0.02 -0.13 -0.04 1.41 1.09 1llfB1 TYR 1381 H 0.12 0.55 -0.27 -0.55 8.29 8.14 1llfB1 TYR 1381 HA 0.08 0.11 0.72 -0.75 4.56 4.71 1llfB1 TYR 1381 HB2 -0.00 0.07 0.10 -0.04 3.06 3.19 1llfB1 TYR 1381 HB3 0.08 -0.02 0.03 -0.04 2.98 3.03 1llfB1 TYR 1381 HD2 0.03 0.11 -0.03 -0.04 7.15 7.21 1llfB1 TYR 1381 HE2 0.05 0.02 -0.06 -0.04 6.85 6.82 1llfB1 PRO 1382 HA 0.12 0.32 0.38 -0.51 4.44 4.75 1llfB1 PRO 1382 HB2 0.07 -0.23 0.07 -0.04 2.28 2.15 1llfB1 PRO 1382 HB3 0.06 0.16 0.07 -0.04 2.02 2.27 1llfB1 PRO 1382 HG2 0.08 -0.04 -0.06 -0.04 2.03 1.96 1llfB1 PRO 1382 HG3 0.05 0.03 0.01 -0.04 2.03 2.07 1llfB1 PRO 1382 HD2 0.09 0.05 0.06 -0.04 3.68 3.83 1llfB1 PRO 1382 HD3 0.02 0.33 -0.35 -0.04 3.65 3.60 1llfB1 GLN 1383 H 0.10 0.12 0.16 -0.55 8.47 8.30 1llfB1 GLN 1383 HA 0.11 0.12 0.47 -0.75 4.36 4.30 1llfB1 GLN 1383 HB2 0.09 -0.01 0.13 -0.04 2.15 2.32 1llfB1 GLN 1383 HB3 0.07 -0.07 0.08 -0.04 2.02 2.06 1llfB1 GLN 1383 HG2 0.08 0.23 0.08 -0.04 2.40 2.75 1llfB1 GLN 1383 HG3 0.07 -0.11 -0.01 -0.04 2.39 2.29 1llfB1 GLN 1383 HE21 0.06 -0.10 0.01 -0.04 6.97 6.90 1llfB1 GLN 1383 HE22 0.07 0.45 0.18 -0.04 7.69 8.34 1llfB1 ASP 1384 H 0.07 0.01 -0.21 -0.55 8.40 7.73 1llfB1 ASP 1384 HA 0.06 -0.03 0.34 -0.75 4.63 4.25 1llfB1 ASP 1384 HB2 0.05 0.04 0.09 -0.04 2.71 2.85 1llfB1 ASP 1384 HB3 0.06 0.08 0.03 -0.04 2.70 2.83 1llfB1 ILE 1385 H 0.06 0.10 0.18 -0.55 8.25 8.03 1llfB1 ILE 1385 HA 0.07 0.15 0.31 -0.75 4.18 3.95 1llfB1 ILE 1385 HB 0.08 0.07 0.05 -0.04 1.89 2.05 1llfB1 ILE 1385 HG12 0.05 -0.13 0.08 -0.04 1.49 1.46 1llfB1 ILE 1385 HG13 0.05 0.10 -0.21 -0.04 1.21 1.12 1llfB1 ILE 1385 HG23 0.07 0.01 0.09 -0.04 0.93 1.06 1llfB1 ILE 1385 HD13 0.07 0.02 0.02 -0.04 0.88 0.95 1llfB1 THR 1386 H 0.05 -0.05 -0.46 -0.55 8.28 7.27 1llfB1 THR 1386 HA 0.03 0.40 0.44 -0.75 4.39 4.51 1llfB1 THR 1386 HB 0.02 -0.06 0.09 -0.04 4.32 4.32 1llfB1 THR 1386 HG23 0.01 -0.04 -0.17 -0.04 1.22 0.99 1llfB1 GLN 1387 H 0.08 0.45 -0.42 -0.55 8.47 8.03 1llfB1 GLN 1387 HA 0.13 0.05 0.47 -0.75 4.36 4.25 1llfB1 GLN 1387 HB2 0.10 0.18 -0.02 -0.04 2.15 2.37 1llfB1 GLN 1387 HB3 0.12 -0.01 0.08 -0.04 2.02 2.17 1llfB1 GLN 1387 HG2 0.06 -0.02 -0.07 -0.04 2.40 2.33 1llfB1 GLN 1387 HG3 0.06 -0.11 -0.08 -0.04 2.39 2.21 1llfB1 GLN 1387 HE21 0.04 -0.08 -0.02 -0.04 6.97 6.87 1llfB1 GLN 1387 HE22 0.03 0.02 0.00 -0.04 7.69 7.71 1llfB1 GLY 1388 H 0.08 0.20 -0.42 -0.55 8.43 7.74 1llfB1 GLY 1388 HA2 0.14 0.10 0.43 -0.51 4.01 4.17 1llfB1 GLY 1388 HA3 -0.00 -0.05 -0.07 -0.51 4.01 3.38 1llfB1 SER 1389 H -0.32 0.54 0.18 -0.55 8.46 8.31 1llfB1 SER 1389 HA -0.92 0.04 0.31 -0.75 4.49 3.17 1llfB1 SER 1389 HB2 -1.50 0.04 -0.05 -0.04 3.95 2.40 1llfB1 SER 1389 HB3 -0.44 -0.03 -0.09 -0.04 3.93 3.34 1llfB1 PRO 1390 HA -0.13 -0.10 0.25 -0.51 4.44 3.94 1llfB1 PRO 1390 HB2 0.06 0.05 -0.07 -0.04 2.28 2.28 1llfB1 PRO 1390 HB3 0.06 -0.11 -0.10 -0.04 2.02 1.83 1llfB1 PRO 1390 HG2 0.12 -0.10 -0.18 -0.04 2.03 1.82 1llfB1 PRO 1390 HG3 0.08 0.04 -0.48 -0.04 2.03 1.64 1llfB1 PRO 1390 HD2 0.08 0.09 0.08 -0.04 3.68 3.88 1llfB1 PRO 1390 HD3 0.03 0.25 0.38 -0.04 3.65 4.27 1llfB1 PHE 1391 H -0.07 -0.01 0.08 -0.55 8.34 7.78 1llfB1 PHE 1391 HA 0.02 0.47 0.48 -0.75 4.62 4.84 1llfB1 PHE 1391 HB2 -0.02 -0.09 0.06 -0.04 3.15 3.06 1llfB1 PHE 1391 HB3 -0.01 0.02 0.04 -0.04 3.06 3.07 1llfB1 PHE 1391 HD2 0.02 0.09 -0.06 -0.04 7.28 7.29 1llfB1 PHE 1391 HE2 0.08 0.10 0.05 -0.04 7.38 7.57 1llfB1 PHE 1391 HZ 0.12 -0.01 0.03 -0.04 7.32 7.42 1llfB1 ASP 1392 H 0.19 0.30 0.21 -0.55 8.40 8.55 1llfB1 ASP 1392 HA 0.05 0.03 0.36 -0.75 4.63 4.32 1llfB1 ASP 1392 HB2 0.07 0.15 0.07 -0.04 2.71 2.96 1llfB1 ASP 1392 HB3 0.03 -0.01 0.19 -0.04 2.70 2.87 1llfB1 THR 1393 H 0.04 0.30 -0.13 -0.55 8.28 7.95 1llfB1 THR 1393 HA -0.07 0.18 0.84 -0.75 4.39 4.59 1llfB1 THR 1393 HB 0.13 -0.14 0.02 -0.04 4.32 4.29 1llfB1 THR 1393 HG23 0.09 0.02 -0.36 -0.04 1.22 0.93 1llfB1 GLY 1394 H -0.04 0.07 -0.04 -0.55 8.43 7.88 1llfB1 GLY 1394 HA2 -0.06 0.01 0.33 -0.51 4.01 3.79 1llfB1 GLY 1394 HA3 -0.20 -0.02 0.30 -0.51 4.01 3.57 1llfB1 ILE 1395 H -0.14 0.10 0.17 -0.55 8.25 7.84 1llfB1 ILE 1395 HA 0.05 0.12 0.54 -0.75 4.18 4.15 1llfB1 ILE 1395 HB 0.09 0.01 0.14 -0.04 1.89 2.09 1llfB1 ILE 1395 HG12 0.02 -0.03 0.06 -0.04 1.49 1.50 1llfB1 ILE 1395 HG13 0.25 0.04 -0.25 -0.04 1.21 1.21 1llfB1 ILE 1395 HG23 0.02 -0.02 -0.00 -0.04 0.93 0.90 1llfB1 ILE 1395 HD13 0.10 0.00 -0.01 -0.04 0.88 0.94 1llfB1 PHE 1396 H -0.04 0.38 -0.18 -0.55 8.34 7.94 1llfB1 PHE 1396 HA 0.03 0.02 0.62 -0.75 4.62 4.54 1llfB1 PHE 1396 HB2 0.04 0.16 0.03 -0.04 3.15 3.35 1llfB1 PHE 1396 HB3 0.04 -0.11 0.08 -0.04 3.06 3.03 1llfB1 PHE 1396 HD2 0.03 -0.03 -0.07 -0.04 7.28 7.17 1llfB1 PHE 1396 HE2 0.02 -0.00 -0.01 -0.04 7.38 7.35 1llfB1 PHE 1396 HZ 0.02 0.00 -0.01 -0.04 7.32 7.29 1llfB1 ASN 1397 H 0.15 0.12 0.13 -0.55 8.53 8.39 1llfB1 ASN 1397 HA 0.10 -0.03 0.32 -0.75 4.76 4.40 1llfB1 ASN 1397 HB2 0.18 0.32 -0.06 -0.04 2.88 3.28 1llfB1 ASN 1397 HB3 0.24 -0.00 0.20 -0.04 2.79 3.19 1llfB1 ASN 1397 HD21 0.20 -0.02 -0.17 -0.04 7.03 7.00 1llfB1 ASN 1397 HD22 0.16 0.23 -0.30 -0.04 7.74 7.78 1llfB1 ALA 1398 H 0.12 0.11 -0.38 -0.55 8.40 7.70 1llfB1 ALA 1398 HA 0.17 0.10 0.46 -0.75 4.34 4.31 1llfB1 ALA 1398 HB3 0.09 0.03 0.01 -0.04 1.41 1.50 1llfB1 ILE 1399 H 0.09 0.48 0.11 -0.55 8.25 8.38 1llfB1 ILE 1399 HA -0.06 0.03 0.28 -0.75 4.18 3.67 1llfB1 ILE 1399 HB -0.34 -0.08 0.13 -0.04 1.89 1.56 1llfB1 ILE 1399 HG12 -0.24 -0.04 0.00 -0.04 1.49 1.17 1llfB1 ILE 1399 HG13 -0.41 0.14 0.07 -0.04 1.21 0.97 1llfB1 ILE 1399 HG23 -0.18 0.01 -0.05 -0.04 0.93 0.66 1llfB1 ILE 1399 HD13 -0.89 -0.00 0.01 -0.04 0.88 -0.04 1llfB1 THR 1400 H 0.10 0.04 0.02 -0.55 8.28 7.90 1llfB1 THR 1400 HA 0.03 0.24 0.53 -0.75 4.39 4.43 1llfB1 THR 1400 HB 0.03 0.05 0.21 -0.04 4.32 4.57 1llfB1 THR 1400 HG23 -0.01 0.06 -0.08 -0.04 1.22 1.15 1llfB1 PRO 1401 HA 0.07 0.12 0.56 -0.51 4.44 4.68 1llfB1 PRO 1401 HB2 0.05 0.14 0.06 -0.04 2.28 2.49 1llfB1 PRO 1401 HB3 0.05 -0.02 0.15 -0.04 2.02 2.16 1llfB1 PRO 1401 HG2 0.03 0.05 0.13 -0.04 2.03 2.20 1llfB1 PRO 1401 HG3 0.04 0.04 0.07 -0.04 2.03 2.13 1llfB1 PRO 1401 HD2 0.03 0.15 0.30 -0.04 3.68 4.13 1llfB1 PRO 1401 HD3 0.03 0.17 0.21 -0.04 3.65 4.02 1llfB1 GLN 1402 H 0.08 0.09 -0.30 -0.55 8.47 7.79 1llfB1 GLN 1402 HA 0.08 0.19 0.74 -0.75 4.36 4.62 1llfB1 GLN 1402 HB2 0.03 0.31 -0.02 -0.04 2.15 2.43 1llfB1 GLN 1402 HB3 0.02 -0.05 -0.02 -0.04 2.02 1.93 1llfB1 GLN 1402 HG2 0.03 0.06 -0.35 -0.04 2.40 2.10 1llfB1 GLN 1402 HG3 0.00 -0.07 -0.54 -0.04 2.39 1.74 1llfB1 GLN 1402 HE21 0.06 -0.06 -0.25 -0.04 6.97 6.69 1llfB1 GLN 1402 HE22 0.04 0.13 -0.41 -0.04 7.69 7.41 1llfB1 PHE 1403 H 0.20 0.18 -0.09 -0.55 8.34 8.08 1llfB1 PHE 1403 HA 0.02 0.12 0.23 -0.75 4.62 4.24 1llfB1 PHE 1403 HB2 0.00 0.04 0.11 -0.04 3.15 3.26 1llfB1 PHE 1403 HB3 0.02 -0.02 0.23 -0.04 3.06 3.24 1llfB1 PHE 1403 HD2 0.01 0.11 0.00 -0.04 7.28 7.36 1llfB1 PHE 1403 HE2 0.01 0.07 0.01 -0.04 7.38 7.43 1llfB1 PHE 1403 HZ -0.01 0.07 0.02 -0.04 7.32 7.36 1llfB1 LYS 1404 H 0.06 0.16 -0.16 -0.55 8.42 7.92 1llfB1 LYS 1404 HA -0.55 0.35 0.47 -0.75 4.32 3.84 1llfB1 LYS 1404 HB2 0.00 0.03 -0.04 -0.04 1.87 1.82 1llfB1 LYS 1404 HB3 -0.11 -0.16 -0.26 -0.04 1.79 1.22 1llfB1 LYS 1404 HG2 -0.04 0.15 -0.22 -0.04 1.46 1.31 1llfB1 LYS 1404 HG3 0.17 -0.14 -0.02 -0.04 1.46 1.43 1llfB1 LYS 1404 HD2 0.14 0.02 -0.33 -0.04 1.69 1.48 1llfB1 LYS 1404 HD3 0.08 -0.04 -0.10 -0.04 1.68 1.58 1llfB1 LYS 1404 HE2 -0.01 -0.12 -0.42 -0.04 2.99 2.40 1llfB1 LYS 1404 HE3 0.03 -0.10 -0.37 -0.04 2.99 2.51 1llfB1 ARG 1405 H 0.02 0.14 -0.45 -0.55 8.46 7.62 1llfB1 ARG 1405 HA 0.12 0.06 0.41 -0.75 4.34 4.19 1llfB1 ARG 1405 HB2 0.13 0.17 -0.01 -0.04 1.90 2.15 1llfB1 ARG 1405 HB3 0.13 0.05 0.09 -0.04 1.80 2.03 1llfB1 ARG 1405 HG2 0.32 -0.10 -0.32 -0.04 1.67 1.53 1llfB1 ARG 1405 HG3 0.25 0.18 -0.29 -0.04 1.67 1.76 1llfB1 ARG 1405 HD2 0.17 -0.05 -0.10 -0.04 3.22 3.21 1llfB1 ARG 1405 HD3 0.31 -0.09 -0.12 -0.04 3.22 3.27 1llfB1 ILE 1406 H 0.06 0.66 -0.03 -0.55 8.25 8.39 1llfB1 ILE 1406 HA 0.31 0.05 0.40 -0.75 4.18 4.19 1llfB1 ILE 1406 HB 0.07 0.07 0.11 -0.04 1.89 2.10 1llfB1 ILE 1406 HG12 0.01 -0.02 -0.01 -0.04 1.49 1.43 1llfB1 ILE 1406 HG13 0.07 0.07 0.03 -0.04 1.21 1.34 1llfB1 ILE 1406 HG23 0.19 -0.00 -0.11 -0.04 0.93 0.96 1llfB1 ILE 1406 HD13 -0.10 -0.01 -0.05 -0.04 0.88 0.67 1llfB1 SER 1407 H -0.15 0.62 -0.13 -0.55 8.46 8.26 1llfB1 SER 1407 HA 0.01 0.05 0.37 -0.75 4.49 4.16 1llfB1 SER 1407 HB2 -0.42 0.19 0.14 -0.04 3.95 3.83 1llfB1 SER 1407 HB3 -0.22 -0.24 -0.27 -0.04 3.93 3.15 1llfB1 ALA 1408 H -0.07 0.49 -0.34 -0.55 8.40 7.94 1llfB1 ALA 1408 HA 0.12 -0.09 0.45 -0.75 4.34 4.07 1llfB1 ALA 1408 HB3 0.27 0.03 0.13 -0.04 1.41 1.80 1llfB1 VAL 1409 H -0.08 0.61 -0.09 -0.55 8.24 8.13 1llfB1 VAL 1409 HA -0.71 0.01 0.50 -0.75 4.13 3.17 1llfB1 VAL 1409 HB 0.01 0.10 0.15 -0.04 2.12 2.34 1llfB1 VAL 1409 HG13 -0.21 -0.01 -0.14 -0.04 0.97 0.57 1llfB1 VAL 1409 HG23 -0.59 0.04 0.01 -0.04 0.95 0.37 1llfB1 LEU 1410 H 0.04 0.69 -0.10 -0.55 8.37 8.45 1llfB1 LEU 1410 HA 0.04 0.08 0.36 -0.75 4.35 4.07 1llfB1 LEU 1410 HB2 0.13 0.09 0.20 -0.04 1.64 2.03 1llfB1 LEU 1410 HB3 0.14 -0.08 -0.01 -0.04 1.64 1.64 1llfB1 LEU 1410 HG 0.14 0.07 0.01 -0.04 1.64 1.83 1llfB1 LEU 1410 HD13 0.21 -0.02 -0.22 -0.04 0.93 0.87 1llfB1 LEU 1410 HD23 0.03 0.00 0.00 -0.04 0.89 0.88 1llfB1 GLY 1411 H 0.11 0.66 -0.12 -0.55 8.43 8.54 1llfB1 GLY 1411 HA2 0.40 0.01 0.35 -0.51 4.01 4.26 1llfB1 GLY 1411 HA3 0.24 -0.06 0.33 -0.51 4.01 4.01 1llfB1 ASP 1412 H 0.06 0.62 -0.22 -0.55 8.40 8.32 1llfB1 ASP 1412 HA 0.04 -0.18 0.65 -0.75 4.63 4.38 1llfB1 ASP 1412 HB2 -0.01 0.23 0.17 -0.04 2.71 3.06 1llfB1 ASP 1412 HB3 0.02 -0.02 -0.04 -0.04 2.70 2.62 1llfB1 LEU 1413 H -0.05 0.68 -0.02 -0.55 8.37 8.43 1llfB1 LEU 1413 HA -0.03 0.04 0.45 -0.75 4.35 4.05 1llfB1 LEU 1413 HB2 -0.20 -0.00 0.09 -0.04 1.64 1.49 1llfB1 LEU 1413 HB3 -0.06 0.05 0.13 -0.04 1.64 1.72 1llfB1 LEU 1413 HG -0.04 0.00 -0.24 -0.04 1.64 1.32 1llfB1 LEU 1413 HD13 -0.12 -0.01 0.01 -0.04 0.93 0.76 1llfB1 LEU 1413 HD23 -0.03 0.06 0.01 -0.04 0.89 0.88 1llfB1 ALA 1414 H -0.13 0.48 -0.08 -0.55 8.40 8.12 1llfB1 ALA 1414 HA -0.31 0.15 0.46 -0.75 4.34 3.89 1llfB1 ALA 1414 HB3 -0.83 -0.01 0.09 -0.04 1.41 0.62 1llfB1 PHE 1415 H 0.01 0.18 -0.40 -0.55 8.34 7.58 1llfB1 PHE 1415 HA 0.03 0.15 0.97 -0.75 4.62 5.02 1llfB1 PHE 1415 HB2 0.08 0.08 0.18 -0.04 3.15 3.45 1llfB1 PHE 1415 HB3 0.08 -0.13 -0.00 -0.04 3.06 2.97 1llfB1 PHE 1415 HD2 0.04 0.02 -0.20 -0.04 7.28 7.10 1llfB1 PHE 1415 HE2 -0.11 -0.00 -0.06 -0.04 7.38 7.17 1llfB1 PHE 1415 HZ -0.49 -0.02 -0.01 -0.04 7.32 6.76 1llfB1 ILE 1416 H 0.22 0.56 0.35 -0.55 8.25 8.84 1llfB1 ILE 1416 HA 0.18 0.05 0.17 -0.75 4.18 3.83 1llfB1 ILE 1416 HB 0.08 -0.02 0.13 -0.04 1.89 2.04 1llfB1 ILE 1416 HG12 0.18 0.00 -0.01 -0.04 1.49 1.62 1llfB1 ILE 1416 HG13 0.23 -0.08 0.06 -0.04 1.21 1.39 1llfB1 ILE 1416 HG23 0.24 0.02 -0.13 -0.04 0.93 1.01 1llfB1 ILE 1416 HD13 0.22 -0.02 -0.06 -0.04 0.88 0.99 1llfB1 HIS 1417 H 0.13 0.38 0.24 -0.55 8.41 8.61 1llfB1 HIS 1417 HA 0.26 0.09 0.73 -0.75 4.63 4.96 1llfB1 HIS 1417 HB2 0.13 0.18 0.00 -0.04 3.26 3.53 1llfB1 HIS 1417 HB3 0.19 0.03 0.00 -0.04 3.20 3.38 1llfB1 HIS 1417 HD2 0.23 0.04 -0.29 -0.04 6.97 6.90 1llfB1 HIS 1417 HE1 -0.10 0.17 -0.07 -0.04 7.75 7.70 1llfB1 ALA 1418 H 0.20 0.28 -0.31 -0.55 8.40 8.02 1llfB1 ALA 1418 HA 0.24 0.07 0.44 -0.75 4.34 4.34 1llfB1 ALA 1418 HB3 0.07 0.09 -0.12 -0.04 1.41 1.42 1llfB1 ARG 1419 H 0.16 0.52 -0.28 -0.55 8.46 8.30 1llfB1 ARG 1419 HA 0.08 0.02 0.38 -0.75 4.34 4.07 1llfB1 ARG 1419 HB2 0.04 -0.06 0.03 -0.04 1.90 1.87 1llfB1 ARG 1419 HB3 0.11 0.18 0.12 -0.04 1.80 2.17 1llfB1 ARG 1419 HG2 -0.00 0.02 -0.40 -0.04 1.67 1.25 1llfB1 ARG 1419 HG3 -0.02 0.00 -0.11 -0.04 1.67 1.50 1llfB1 ARG 1419 HD2 -0.08 0.10 -0.12 -0.04 3.22 3.08 1llfB1 ARG 1419 HD3 -0.07 -0.11 -0.23 -0.04 3.22 2.77 1llfB1 ARG 1420 H 0.25 0.26 -0.29 -0.55 8.46 8.13 1llfB1 ARG 1420 HA 0.07 0.04 0.35 -0.75 4.34 4.04 1llfB1 ARG 1420 HB2 0.14 0.01 0.12 -0.04 1.90 2.13 1llfB1 ARG 1420 HB3 0.35 0.07 0.13 -0.04 1.80 2.30 1llfB1 ARG 1420 HG2 -0.14 -0.01 -0.11 -0.04 1.67 1.37 1llfB1 ARG 1420 HG3 -0.01 -0.02 0.06 -0.04 1.67 1.66 1llfB1 ARG 1420 HD2 -0.81 -0.03 -0.03 -0.04 3.22 2.31 1llfB1 ARG 1420 HD3 -0.50 -0.00 0.00 -0.04 3.22 2.68 1llfB1 TYR 1421 H 0.48 0.60 -0.20 -0.55 8.29 8.63 1llfB1 TYR 1421 HA 0.45 0.02 0.41 -0.75 4.56 4.69 1llfB1 TYR 1421 HB2 0.27 0.03 0.10 -0.04 3.06 3.42 1llfB1 TYR 1421 HB3 0.20 0.05 0.12 -0.04 2.98 3.32 1llfB1 TYR 1421 HD2 0.05 -0.00 -0.15 -0.04 7.15 7.00 1llfB1 TYR 1421 HE2 -0.06 0.12 0.00 -0.04 6.85 6.87 1llfB1 PHE 1422 H 0.38 0.54 -0.18 -0.55 8.34 8.53 1llfB1 PHE 1422 HA 0.14 0.01 0.42 -0.75 4.62 4.43 1llfB1 PHE 1422 HB2 -0.04 -0.11 0.10 -0.04 3.15 3.06 1llfB1 PHE 1422 HB3 -0.03 0.10 0.16 -0.04 3.06 3.26 1llfB1 PHE 1422 HD2 -0.12 -0.02 -0.09 -0.04 7.28 7.01 1llfB1 PHE 1422 HE2 -0.43 0.03 -0.10 -0.04 7.38 6.84 1llfB1 PHE 1422 HZ -1.53 0.08 -0.11 -0.04 7.32 5.73 1llfB1 LEU 1423 H 0.14 0.57 -0.17 -0.55 8.37 8.36 1llfB1 LEU 1423 HA -0.18 0.09 0.37 -0.75 4.35 3.87 1llfB1 LEU 1423 HB2 -0.18 0.01 0.07 -0.04 1.64 1.50 1llfB1 LEU 1423 HB3 -0.44 -0.03 -0.12 -0.04 1.64 1.01 1llfB1 LEU 1423 HG -0.00 0.06 0.00 -0.04 1.64 1.66 1llfB1 LEU 1423 HD13 -0.86 -0.04 -0.13 -0.04 0.93 -0.13 1llfB1 LEU 1423 HD23 -0.18 0.01 -0.08 -0.04 0.89 0.60 1llfB1 ASN 1424 H 0.03 0.44 -0.28 -0.55 8.53 8.18 1llfB1 ASN 1424 HA -0.04 0.03 0.55 -0.75 4.76 4.55 1llfB1 ASN 1424 HB2 -0.09 0.12 0.15 -0.04 2.88 3.02 1llfB1 ASN 1424 HB3 -0.32 -0.04 0.05 -0.04 2.79 2.45 1llfB1 ASN 1424 HD21 -0.03 0.04 -0.06 -0.04 7.03 6.94 1llfB1 ASN 1424 HD22 -0.23 -0.12 -0.01 -0.04 7.74 7.35 1llfB1 HIS 1425 H -0.03 0.26 -0.40 -0.55 8.41 7.70 1llfB1 HIS 1425 HA -0.07 0.13 0.79 -0.75 4.63 4.72 1llfB1 HIS 1425 HB2 -0.08 0.02 0.00 -0.04 3.26 3.17 1llfB1 HIS 1425 HB3 0.02 0.06 -0.15 -0.04 3.20 3.09 1llfB1 HIS 1425 HD2 -0.04 0.06 0.05 -0.04 6.97 6.99 1llfB1 HIS 1425 HE1 -0.70 -0.07 -0.03 -0.04 7.75 6.91 1llfB1 PHE 1426 H -0.17 0.53 0.11 -0.55 8.34 8.26 1llfB1 PHE 1426 HA -0.45 -0.01 0.52 -0.75 4.62 3.93 1llfB1 PHE 1426 HB2 -1.37 -0.05 0.10 -0.04 3.15 1.80 1llfB1 PHE 1426 HB3 -0.93 0.05 0.14 -0.04 3.06 2.28 1llfB1 PHE 1426 HD2 -0.88 0.03 -0.06 -0.04 7.28 6.33 1llfB1 PHE 1426 HE2 -0.15 0.15 -0.07 -0.04 7.38 7.27 1llfB1 PHE 1426 HZ 0.05 0.18 -0.03 -0.04 7.32 7.48 1llfB1 GLN 1427 H -0.29 0.18 0.23 -0.55 8.47 8.05 1llfB1 GLN 1427 HA -0.25 0.21 0.79 -0.75 4.36 4.35 1llfB1 GLN 1427 HB2 -0.03 0.01 0.09 -0.04 2.15 2.18 1llfB1 GLN 1427 HB3 -0.09 -0.06 0.17 -0.04 2.02 2.00 1llfB1 GLN 1427 HG2 -0.01 0.30 -0.07 -0.04 2.40 2.59 1llfB1 GLN 1427 HG3 -0.03 -0.09 -0.00 -0.04 2.39 2.23 1llfB1 GLN 1427 HE21 -0.07 0.07 -0.58 -0.04 6.97 6.35 1llfB1 GLN 1427 HE22 -0.08 0.06 -0.24 -0.04 7.69 7.40 1llfB1 GLY 1428 H -2.09 0.10 -0.09 -0.55 8.43 5.81 1llfB1 GLY 1428 HA2 -0.16 0.12 0.46 -0.51 4.01 3.92 1llfB1 GLY 1428 HA3 -0.56 0.11 0.35 -0.51 4.01 3.40 1llfB1 GLY 1429 H -0.43 0.18 -0.27 -0.55 8.43 7.36 1llfB1 GLY 1429 HA2 0.00 0.03 0.24 -0.51 4.01 3.77 1llfB1 GLY 1429 HA3 0.13 0.14 -0.02 -0.51 4.01 3.76 1llfB1 THR 1430 H 0.07 0.13 0.14 -0.55 8.28 8.07 1llfB1 THR 1430 HA -0.04 0.04 0.59 -0.75 4.39 4.23 1llfB1 THR 1430 HB 0.13 0.03 0.17 -0.04 4.32 4.61 1llfB1 THR 1430 HG23 -0.24 0.00 0.00 -0.04 1.22 0.94 1llfB1 LYS 1431 H -0.13 0.17 0.34 -0.55 8.42 8.24 1llfB1 LYS 1431 HA 0.01 0.31 1.11 -0.75 4.32 4.99 1llfB1 LYS 1431 HB2 0.03 0.23 0.26 -0.04 1.87 2.35 1llfB1 LYS 1431 HB3 0.00 -0.10 0.01 -0.04 1.79 1.66 1llfB1 LYS 1431 HG2 0.18 -0.08 -0.03 -0.04 1.46 1.49 1llfB1 LYS 1431 HG3 0.15 0.16 -0.12 -0.04 1.46 1.61 1llfB1 LYS 1431 HD2 0.00 -0.18 0.06 -0.04 1.69 1.53 1llfB1 LYS 1431 HD3 0.11 0.06 0.08 -0.04 1.68 1.90 1llfB1 LYS 1431 HE2 0.01 -0.06 0.17 -0.04 2.99 3.07 1llfB1 LYS 1431 HE3 0.09 0.09 0.16 -0.04 2.99 3.28 1llfB1 TYR 1432 H -0.04 0.65 0.46 -0.55 8.29 8.81 1llfB1 TYR 1432 HA -0.02 0.14 0.89 -0.75 4.56 4.82 1llfB1 TYR 1432 HB2 -0.78 -0.03 0.14 -0.04 3.06 2.35 1llfB1 TYR 1432 HB3 -1.47 -0.04 0.05 -0.04 2.98 1.48 1llfB1 TYR 1432 HD2 -0.58 0.12 -0.18 -0.04 7.15 6.46 1llfB1 TYR 1432 HE2 -0.03 0.11 -0.10 -0.04 6.85 6.78 1llfB1 SER 1433 H 0.66 0.32 0.26 -0.55 8.46 9.15 1llfB1 SER 1433 HA 0.27 0.35 1.05 -0.75 4.49 5.40 1llfB1 SER 1433 HB2 -0.12 0.03 -0.08 -0.04 3.95 3.74 1llfB1 SER 1433 HB3 0.22 0.02 0.11 -0.04 3.93 4.24 1llfB1 PHE 1434 H -0.01 0.35 0.32 -0.55 8.34 8.44 1llfB1 PHE 1434 HA -0.01 0.29 0.94 -0.75 4.62 5.08 1llfB1 PHE 1434 HB2 -0.16 0.04 0.01 -0.04 3.15 3.00 1llfB1 PHE 1434 HB3 -0.07 0.04 -0.10 -0.04 3.06 2.89 1llfB1 PHE 1434 HD2 0.40 0.03 -0.29 -0.04 7.28 7.38 1llfB1 PHE 1434 HE2 0.36 0.01 -0.26 -0.04 7.38 7.45 1llfB1 PHE 1434 HZ 0.40 -0.02 -0.15 -0.04 7.32 7.52 1llfB1 LEU 1435 H 0.11 0.76 0.27 -0.55 8.37 8.96 1llfB1 LEU 1435 HA 0.11 0.18 0.86 -0.75 4.35 4.75 1llfB1 LEU 1435 HB2 0.11 0.06 -0.18 -0.04 1.64 1.59 1llfB1 LEU 1435 HB3 0.03 -0.01 0.01 -0.04 1.64 1.63 1llfB1 LEU 1435 HG 0.01 -0.04 -0.28 -0.04 1.64 1.29 1llfB1 LEU 1435 HD13 0.08 0.02 -0.16 -0.04 0.93 0.82 1llfB1 LEU 1435 HD23 -0.10 0.00 -0.10 -0.04 0.89 0.65 1llfB1 SER 1436 H 0.23 0.70 0.37 -0.55 8.46 9.21 1llfB1 SER 1436 HA 0.05 0.10 0.96 -0.75 4.49 4.84 1llfB1 SER 1436 HB2 0.26 0.10 0.06 -0.04 3.95 4.34 1llfB1 SER 1436 HB3 0.21 -0.06 0.23 -0.04 3.93 4.27 1llfB1 LYS 1437 H 0.02 0.77 0.39 -0.55 8.42 9.05 1llfB1 LYS 1437 HA 0.06 0.03 0.81 -0.75 4.32 4.47 1llfB1 LYS 1437 HB2 0.10 0.17 0.17 -0.04 1.87 2.27 1llfB1 LYS 1437 HB3 0.07 -0.05 0.25 -0.04 1.79 2.02 1llfB1 LYS 1437 HG2 0.05 -0.04 0.01 -0.04 1.46 1.44 1llfB1 LYS 1437 HG3 0.03 0.01 -0.30 -0.04 1.46 1.16 1llfB1 LYS 1437 HD2 0.14 0.03 -0.04 -0.04 1.69 1.78 1llfB1 LYS 1437 HD3 0.06 -0.00 0.01 -0.04 1.68 1.71 1llfB1 LYS 1437 HE2 -0.05 -0.02 -0.05 -0.04 2.99 2.82 1llfB1 LYS 1437 HE3 -0.02 0.02 -0.08 -0.04 2.99 2.87 1llfB1 GLN 1438 H 0.03 0.07 -0.13 -0.55 8.47 7.88 1llfB1 GLN 1438 HA -0.06 -0.01 -0.05 -0.75 4.36 3.48 1llfB1 GLN 1438 HB2 -0.10 -0.01 -0.05 -0.04 2.15 1.95 1llfB1 GLN 1438 HB3 -0.05 -0.02 -0.08 -0.04 2.02 1.83 1llfB1 GLN 1438 HG2 -0.33 0.10 -0.22 -0.04 2.40 1.91 1llfB1 GLN 1438 HG3 -0.29 0.09 -0.15 -0.04 2.39 1.99 1llfB1 GLN 1438 HE21 -2.15 -0.00 -0.07 -0.04 6.97 4.71 1llfB1 GLN 1438 HE22 -1.30 0.13 -0.02 -0.04 7.69 6.47 1llfB1 LEU 1439 H 0.04 -0.03 -0.33 -0.55 8.37 7.50 1llfB1 LEU 1439 HA 0.06 0.28 0.71 -0.75 4.35 4.64 1llfB1 LEU 1439 HB2 0.11 -0.07 -0.17 -0.04 1.64 1.47 1llfB1 LEU 1439 HB3 0.17 0.09 0.06 -0.04 1.64 1.91 1llfB1 LEU 1439 HG 0.10 -0.18 -0.14 -0.04 1.64 1.37 1llfB1 LEU 1439 HD13 0.09 -0.00 -0.01 -0.04 0.93 0.96 1llfB1 LEU 1439 HD23 0.22 0.07 -0.21 -0.04 0.89 0.92 1llfB1 SER 1440 H 0.05 0.37 -0.28 -0.55 8.46 8.04 1llfB1 SER 1440 HA 0.08 -0.10 0.37 -0.75 4.49 4.09 1llfB1 SER 1440 HB2 0.04 0.02 0.09 -0.04 3.95 4.06 1llfB1 SER 1440 HB3 0.06 0.07 0.01 -0.04 3.93 4.03 1llfB1 GLY 1441 H 0.09 0.09 0.12 -0.55 8.43 8.19 1llfB1 GLY 1441 HA2 0.12 0.02 0.28 -0.51 4.01 3.92 1llfB1 GLY 1441 HA3 0.08 0.18 0.65 -0.51 4.01 4.41 1llfB1 LEU 1442 H 0.11 0.42 -0.16 -0.55 8.37 8.19 1llfB1 LEU 1442 HA 0.09 0.13 0.49 -0.75 4.35 4.30 1llfB1 LEU 1442 HB2 0.15 0.06 0.09 -0.04 1.64 1.90 1llfB1 LEU 1442 HB3 0.18 -0.10 0.13 -0.04 1.64 1.80 1llfB1 LEU 1442 HG 0.11 0.04 -0.13 -0.04 1.64 1.62 1llfB1 LEU 1442 HD13 0.10 0.01 0.04 -0.04 0.93 1.04 1llfB1 LEU 1442 HD23 0.35 0.03 0.00 -0.04 0.89 1.23 1llfB1 PRO 1443 HA 0.07 0.03 0.25 -0.51 4.44 4.28 1llfB1 PRO 1443 HB2 0.00 0.02 0.06 -0.04 2.28 2.32 1llfB1 PRO 1443 HB3 -0.01 0.00 0.11 -0.04 2.02 2.08 1llfB1 PRO 1443 HG2 -0.00 0.03 0.11 -0.04 2.03 2.13 1llfB1 PRO 1443 HG3 0.00 0.10 0.14 -0.04 2.03 2.23 1llfB1 PRO 1443 HD2 0.04 0.06 0.22 -0.04 3.68 3.96 1llfB1 PRO 1443 HD3 0.05 0.23 0.34 -0.04 3.65 4.22 1llfB1 ILE 1444 H 0.09 0.15 0.14 -0.55 8.25 8.08 1llfB1 ILE 1444 HA 0.14 0.05 0.42 -0.75 4.18 4.04 1llfB1 ILE 1444 HB -0.01 0.16 0.12 -0.04 1.89 2.12 1llfB1 ILE 1444 HG12 -0.06 0.00 -0.00 -0.04 1.49 1.39 1llfB1 ILE 1444 HG13 -0.01 -0.14 -0.27 -0.04 1.21 0.75 1llfB1 ILE 1444 HG23 -0.08 0.01 -0.09 -0.04 0.93 0.73 1llfB1 ILE 1444 HD13 -0.07 0.02 -0.06 -0.04 0.88 0.72 1llfB1 MET 1445 H 0.07 0.67 -0.34 -0.55 8.47 8.33 1llfB1 MET 1445 HA 0.12 0.05 0.47 -0.75 4.52 4.41 1llfB1 MET 1445 HB2 0.03 0.00 0.03 -0.04 2.15 2.17 1llfB1 MET 1445 HB2 0.03 0.00 0.03 -0.04 2.15 2.17 1llfB1 MET 1445 HB3 0.12 0.00 -0.09 -0.04 2.03 2.01 1llfB1 MET 1445 HB3 0.12 0.00 -0.09 -0.04 2.03 2.01 1llfB1 MET 1445 HG2 -0.10 -0.08 -0.07 -0.04 2.63 2.34 1llfB1 MET 1445 HG2 -0.10 -0.08 -0.07 -0.04 2.63 2.34 1llfB1 MET 1445 HG3 -0.08 0.00 -0.07 -0.04 2.56 2.37 1llfB1 MET 1445 HG3 -0.08 0.00 -0.07 -0.04 2.56 2.37 1llfB1 MET 1445 HE3 -0.14 0.02 -0.01 -0.04 2.10 1.93 1llfB1 MET 1445 HE3 -0.14 0.02 -0.01 -0.04 2.10 1.93 1llfB1 GLY 1446 H 0.14 0.44 -0.18 -0.55 8.43 8.29 1llfB1 GLY 1446 HA2 0.14 0.06 0.25 -0.51 4.01 3.94 1llfB1 GLY 1446 HA3 0.12 -0.04 0.35 -0.51 4.01 3.94 1llfB1 THR 1447 H 0.12 0.11 0.02 -0.55 8.28 7.98 1llfB1 THR 1447 HA 0.06 0.14 0.64 -0.75 4.39 4.47 1llfB1 THR 1447 HB 0.09 -0.06 0.26 -0.04 4.32 4.57 1llfB1 THR 1447 HG23 0.05 0.01 -0.13 -0.04 1.22 1.11 1llfB1 PHE 1448 H -0.10 0.27 0.02 -0.55 8.34 7.97 1llfB1 PHE 1448 HA 0.08 0.24 0.01 -0.75 4.62 4.19 1llfB1 PHE 1448 HB2 0.03 -0.05 0.04 -0.04 3.15 3.13 1llfB1 PHE 1448 HB3 0.05 0.18 -0.12 -0.04 3.06 3.13 1llfB1 PHE 1448 HD2 0.04 0.30 -0.14 -0.04 7.28 7.44 1llfB1 PHE 1448 HE2 0.02 0.04 -0.09 -0.04 7.38 7.31 1llfB1 PHE 1448 HZ -0.03 0.03 -0.04 -0.04 7.32 7.24 1llfB1 HIS 1449 H 0.30 0.22 0.11 -0.55 8.41 8.51 1llfB1 HIS 1449 HA -0.02 -0.07 0.46 -0.75 4.63 4.25 1llfB1 HIS 1449 HB2 0.10 0.28 0.32 -0.04 3.26 3.92 1llfB1 HIS 1449 HB3 0.05 0.01 0.16 -0.04 3.20 3.38 1llfB1 HIS 1449 HD2 0.30 0.03 -0.07 -0.04 6.97 7.18 1llfB1 HIS 1449 HE1 -0.65 0.11 0.12 -0.04 7.75 7.28 1llfB1 ALA 1450 H -0.33 0.10 0.22 -0.55 8.40 7.84 1llfB1 ALA 1450 HA -0.19 -0.00 0.33 -0.75 4.34 3.72 1llfB1 ALA 1450 HB3 -0.06 0.08 0.03 -0.04 1.41 1.43 1llfB1 ASN 1451 H -0.31 0.50 -0.37 -0.55 8.53 7.79 1llfB1 ASN 1451 HA -0.29 0.15 0.41 -0.75 4.76 4.28 1llfB1 ASN 1451 HB2 -0.42 0.03 0.03 -0.04 2.88 2.48 1llfB1 ASN 1451 HB3 -1.74 0.10 0.01 -0.04 2.79 1.12 1llfB1 ASN 1451 HD21 -0.02 -0.13 -0.14 -0.04 7.03 6.70 1llfB1 ASN 1451 HD22 -0.32 0.66 -0.09 -0.04 7.74 7.95 1llfB1 ASP 1452 H -0.13 0.05 -0.34 -0.55 8.40 7.43 1llfB1 ASP 1452 HA -0.03 0.02 0.34 -0.75 4.63 4.21 1llfB1 ASP 1452 HB2 -1.14 0.12 -0.08 -0.04 2.71 1.57 1llfB1 ASP 1452 HB3 -0.58 -0.03 -0.03 -0.04 2.70 2.02 1llfB1 ILE 1453 H -0.10 0.36 -0.47 -0.55 8.25 7.49 1llfB1 ILE 1453 HA 0.01 0.09 0.35 -0.75 4.18 3.89 1llfB1 ILE 1453 HB 0.04 0.14 0.10 -0.04 1.89 2.12 1llfB1 ILE 1453 HG12 0.09 -0.14 0.06 -0.04 1.49 1.45 1llfB1 ILE 1453 HG13 0.36 0.03 0.04 -0.04 1.21 1.61 1llfB1 ILE 1453 HG23 0.22 0.02 -0.09 -0.04 0.93 1.05 1llfB1 ILE 1453 HD13 0.32 0.00 -0.05 -0.04 0.88 1.11 1llfB1 VAL 1454 H -0.27 0.29 -0.22 -0.55 8.24 7.49 1llfB1 VAL 1454 HA -0.16 0.10 0.49 -0.75 4.13 3.81 1llfB1 VAL 1454 HB -1.37 0.11 0.14 -0.04 2.12 0.96 1llfB1 VAL 1454 HG13 -1.01 0.00 -0.13 -0.04 0.97 -0.21 1llfB1 VAL 1454 HG23 -0.35 0.00 0.05 -0.04 0.95 0.62 1llfB1 TRP 1455 H -0.44 0.25 -0.23 -0.55 7.97 7.00 1llfB1 TRP 1455 HA 0.06 0.32 0.36 -0.75 4.62 4.61 1llfB1 TRP 1455 HB2 0.28 0.03 -0.11 -0.04 3.23 3.39 1llfB1 TRP 1455 HB3 0.11 -0.16 -0.01 -0.04 3.23 3.13 1llfB1 TRP 1455 HD1 0.07 -0.10 -0.25 -0.04 7.22 6.90 1llfB1 TRP 1455 HE1 -0.05 -0.07 -0.16 -0.04 10.20 9.88 1llfB1 TRP 1455 HE3 0.03 0.11 -0.53 -0.04 7.59 7.17 1llfB1 TRP 1455 HZ2 0.02 0.00 -0.08 -0.04 7.44 7.34 1llfB1 TRP 1455 HZ3 0.02 0.12 -0.23 -0.04 7.13 7.00 1llfB1 TRP 1455 HH2 0.03 0.05 -0.07 -0.04 7.19 7.15 1llfB1 GLN 1456 H 0.05 0.21 -0.52 -0.55 8.47 7.66 1llfB1 GLN 1456 HA 0.14 0.08 0.57 -0.75 4.36 4.39 1llfB1 GLN 1456 HB2 0.02 -0.07 -0.07 -0.04 2.15 1.99 1llfB1 GLN 1456 HB3 -0.01 0.01 0.00 -0.04 2.02 1.98 1llfB1 GLN 1456 HG2 0.02 0.03 -0.23 -0.04 2.40 2.17 1llfB1 GLN 1456 HG3 0.14 0.12 -0.14 -0.04 2.39 2.47 1llfB1 GLN 1456 HE21 0.47 0.50 0.04 -0.04 6.97 7.93 1llfB1 GLN 1456 HE22 0.75 -0.11 -0.11 -0.04 7.69 8.18 1llfB1 ASP 1457 H -0.01 0.30 -0.04 -0.55 8.40 8.11 1llfB1 ASP 1457 HA -0.18 0.15 0.84 -0.75 4.63 4.69 1llfB1 ASP 1457 HB2 -0.23 0.04 0.04 -0.04 2.71 2.52 1llfB1 ASP 1457 HB3 -0.51 0.05 0.06 -0.04 2.70 2.27 1llfB1 TYR 1458 H 0.02 0.33 0.15 -0.55 8.29 8.24 1llfB1 TYR 1458 HA -0.08 0.22 1.01 -0.75 4.56 4.95 1llfB1 TYR 1458 HB2 -0.20 -0.03 0.17 -0.04 3.06 2.96 1llfB1 TYR 1458 HB3 -0.13 -0.05 -0.01 -0.04 2.98 2.76 1llfB1 TYR 1458 HD2 -0.13 -0.00 -0.05 -0.04 7.15 6.92 1llfB1 TYR 1458 HE2 -0.18 0.01 -0.01 -0.04 6.85 6.63 1llfB1 LEU 1459 H 0.06 0.57 0.28 -0.55 8.37 8.73 1llfB1 LEU 1459 HA 0.10 0.17 0.81 -0.75 4.35 4.68 1llfB1 LEU 1459 HB2 0.07 -0.09 -0.20 -0.04 1.64 1.38 1llfB1 LEU 1459 HB3 0.27 0.05 -0.04 -0.04 1.64 1.87 1llfB1 LEU 1459 HG -0.04 -0.05 -0.34 -0.04 1.64 1.18 1llfB1 LEU 1459 HD13 -0.08 -0.02 -0.09 -0.04 0.93 0.70 1llfB1 LEU 1459 HD23 0.06 0.05 -0.00 -0.04 0.89 0.96 1llfB1 LEU 1460 H 0.15 0.17 0.10 -0.55 8.37 8.25 1llfB1 LEU 1460 HA 0.17 0.17 0.79 -0.75 4.35 4.72 1llfB1 LEU 1460 HB2 0.07 0.05 0.04 -0.04 1.64 1.76 1llfB1 LEU 1460 HB3 0.08 -0.01 0.12 -0.04 1.64 1.78 1llfB1 LEU 1460 HG 0.02 -0.01 -0.21 -0.04 1.64 1.39 1llfB1 LEU 1460 HD13 0.03 0.01 -0.01 -0.04 0.93 0.92 1llfB1 LEU 1460 HD23 0.01 0.01 -0.06 -0.04 0.89 0.81 1llfB1 GLY 1461 H 0.12 0.23 0.23 -0.55 8.43 8.46 1llfB1 GLY 1461 HA2 -0.20 0.25 0.62 -0.51 4.01 4.18 1llfB1 GLY 1461 HA3 -0.64 -0.02 0.28 -0.51 4.01 3.12 1llfB1 SER 1462 H -0.39 0.25 0.15 -0.55 8.46 7.93 1llfB1 SER 1462 HA -0.17 0.14 0.33 -0.75 4.49 4.04 1llfB1 SER 1462 HB2 -0.17 -0.04 0.03 -0.04 3.95 3.73 1llfB1 SER 1462 HB3 -0.18 0.22 0.10 -0.04 3.93 4.04 1llfB1 GLY 1463 H -0.43 0.07 -0.31 -0.55 8.43 7.22 1llfB1 GLY 1463 HA2 -0.44 0.12 0.32 -0.51 4.01 3.50 1llfB1 GLY 1463 HA3 -0.35 -0.01 0.22 -0.51 4.01 3.36 1llfB1 SER 1464 H -0.13 0.38 -0.45 -0.55 8.46 7.71 1llfB1 SER 1464 HA 0.05 0.09 0.33 -0.75 4.49 4.21 1llfB1 SER 1464 HB2 -0.01 0.09 0.10 -0.04 3.95 4.08 1llfB1 SER 1464 HB3 0.04 0.09 0.11 -0.04 3.93 4.14 1llfB1 VAL 1465 H -0.19 0.35 -0.34 -0.55 8.24 7.51 1llfB1 VAL 1465 HA -0.11 0.08 0.49 -0.75 4.13 3.84 1llfB1 VAL 1465 HB -0.10 0.04 0.08 -0.04 2.12 2.10 1llfB1 VAL 1465 HG13 -0.09 0.03 0.03 -0.04 0.97 0.90 1llfB1 VAL 1465 HG23 -0.19 0.07 -0.08 -0.04 0.95 0.71 1llfB1 ILE 1466 H -0.46 0.32 -0.41 -0.55 8.25 7.14 1llfB1 ILE 1466 HA -0.27 0.14 0.80 -0.75 4.18 4.10 1llfB1 ILE 1466 HB -1.02 0.05 0.09 -0.04 1.89 0.96 1llfB1 ILE 1466 HG12 -0.46 -0.02 -0.10 -0.04 1.49 0.86 1llfB1 ILE 1466 HG13 -0.58 -0.03 -0.13 -0.04 1.21 0.43 1llfB1 ILE 1466 HG23 -0.59 0.00 -0.22 -0.04 0.93 0.08 1llfB1 ILE 1466 HD13 -0.37 0.03 -0.16 -0.04 0.88 0.34 1llfB1 TYR 1467 H -0.79 0.44 0.04 -0.55 8.29 7.43 1llfB1 TYR 1467 HA -1.46 0.04 0.11 -0.75 4.56 2.49 1llfB1 TYR 1467 HB2 -0.11 0.08 -0.16 -0.04 3.06 2.84 1llfB1 TYR 1467 HB3 -0.07 0.02 -0.05 -0.04 2.98 2.83 1llfB1 TYR 1467 HD2 -0.17 0.05 -0.29 -0.04 7.15 6.70 1llfB1 TYR 1467 HE2 -0.16 -0.06 -0.14 -0.04 6.85 6.45 1llfB1 ASN 1468 H -0.16 0.38 -0.31 -0.55 8.53 7.90 1llfB1 ASN 1468 HA 0.02 0.22 0.88 -0.75 4.76 5.12 1llfB1 ASN 1468 HB2 -0.02 0.02 0.14 -0.04 2.88 2.98 1llfB1 ASN 1468 HB3 0.01 0.04 0.00 -0.04 2.79 2.80 1llfB1 ASN 1468 HD21 0.06 0.01 -0.00 -0.04 7.03 7.05 1llfB1 ASN 1468 HD22 0.04 0.48 0.02 -0.04 7.74 8.25 1llfB1 ASN 1469 H -0.08 0.24 0.03 -0.55 8.53 8.18 1llfB1 ASN 1469 HA 0.00 0.08 0.07 -0.75 4.76 4.16 1llfB1 ASN 1469 HB2 -0.04 0.18 0.21 -0.04 2.88 3.19 1llfB1 ASN 1469 HB3 -0.00 0.07 0.03 -0.04 2.79 2.85 1llfB1 ASN 1469 HD21 -0.01 0.13 0.00 -0.04 7.03 7.11 1llfB1 ASN 1469 HD22 -0.02 -0.04 -0.02 -0.04 7.74 7.63 1llfB1 ALA 1470 H -0.06 0.41 -0.01 -0.55 8.40 8.19 1llfB1 ALA 1470 HA 0.10 0.11 0.47 -0.75 4.34 4.27 1llfB1 ALA 1470 HB3 0.24 -0.00 0.10 -0.04 1.41 1.71 1llfB1 PHE 1471 H 0.07 0.38 -0.38 -0.55 8.34 7.86 1llfB1 PHE 1471 HA 0.08 -0.01 0.40 -0.75 4.62 4.34 1llfB1 PHE 1471 HB2 0.02 0.21 -0.11 -0.04 3.15 3.24 1llfB1 PHE 1471 HB3 -0.05 -0.02 -0.10 -0.04 3.06 2.84 1llfB1 PHE 1471 HD2 0.15 0.02 -0.18 -0.04 7.28 7.22 1llfB1 PHE 1471 HE2 0.30 -0.08 -0.19 -0.04 7.38 7.36 1llfB1 PHE 1471 HZ 0.15 -0.14 -0.24 -0.04 7.32 7.06 1llfB1 ILE 1472 H 0.12 0.62 -0.21 -0.55 8.25 8.23 1llfB1 ILE 1472 HA 0.03 0.05 0.40 -0.75 4.18 3.91 1llfB1 ILE 1472 HB 0.04 0.08 0.03 -0.04 1.89 2.00 1llfB1 ILE 1472 HG12 0.03 0.01 -0.05 -0.04 1.49 1.43 1llfB1 ILE 1472 HG13 0.05 -0.01 -0.04 -0.04 1.21 1.17 1llfB1 ILE 1472 HG23 0.02 -0.00 -0.17 -0.04 0.93 0.75 1llfB1 ILE 1472 HD13 0.03 -0.04 -0.22 -0.04 0.88 0.60 1llfB1 ALA 1473 H 0.08 0.54 -0.18 -0.55 8.40 8.30 1llfB1 ALA 1473 HA 0.04 0.10 0.34 -0.75 4.34 4.06 1llfB1 ALA 1473 HB3 0.05 0.00 0.04 -0.04 1.41 1.47 1llfB1 PHE 1474 H 0.19 0.55 -0.32 -0.55 8.34 8.21 1llfB1 PHE 1474 HA -0.07 -0.19 0.16 -0.75 4.62 3.77 1llfB1 PHE 1474 HB2 -0.11 -0.02 -0.04 -0.04 3.15 2.94 1llfB1 PHE 1474 HB3 -0.04 0.13 0.02 -0.04 3.06 3.13 1llfB1 PHE 1474 HD2 -0.13 -0.06 -0.33 -0.04 7.28 6.71 1llfB1 PHE 1474 HE2 0.03 0.11 -0.19 -0.04 7.38 7.28 1llfB1 PHE 1474 HZ 0.06 0.00 -0.65 -0.04 7.32 6.69 1llfB1 ALA 1475 H 0.07 0.57 -0.28 -0.55 8.40 8.21 1llfB1 ALA 1475 HA -0.18 -0.00 0.26 -0.75 4.34 3.66 1llfB1 ALA 1475 HB3 -0.05 0.02 -0.02 -0.04 1.41 1.31 1llfB1 THR 1476 H -0.02 0.27 -0.57 -0.55 8.28 7.40 1llfB1 THR 1476 HA -0.03 0.12 0.59 -0.75 4.39 4.31 1llfB1 THR 1476 HB 0.00 -0.04 0.10 -0.04 4.32 4.35 1llfB1 THR 1476 HG23 -0.00 -0.01 -0.07 -0.04 1.22 1.09 1llfB1 ASP 1477 H -0.04 0.47 0.03 -0.55 8.40 8.31 1llfB1 ASP 1477 HA -0.03 0.17 0.69 -0.75 4.63 4.71 1llfB1 ASP 1477 HB2 0.01 0.06 0.07 -0.04 2.71 2.80 1llfB1 ASP 1477 HB3 0.00 -0.08 0.11 -0.04 2.70 2.69 1llfB1 LEU 1478 H -0.17 0.47 -0.00 -0.55 8.37 8.12 1llfB1 LEU 1478 HA -0.59 0.12 0.31 -0.75 4.35 3.44 1llfB1 LEU 1478 HB2 -0.04 0.11 0.09 -0.04 1.64 1.75 1llfB1 LEU 1478 HB3 -0.09 -0.08 0.21 -0.04 1.64 1.64 1llfB1 LEU 1478 HG -0.12 0.00 -0.35 -0.04 1.64 1.13 1llfB1 LEU 1478 HD13 -0.05 -0.01 -0.00 -0.04 0.93 0.83 1llfB1 LEU 1478 HD23 -0.31 0.06 -0.04 -0.04 0.89 0.55 1llfB1 ASP 1479 H 0.05 0.20 -0.44 -0.55 8.40 7.66 1llfB1 ASP 1479 HA 0.06 0.16 0.58 -0.75 4.63 4.68 1llfB1 ASP 1479 HB2 0.08 0.21 -0.16 -0.04 2.71 2.80 1llfB1 ASP 1479 HB3 0.04 0.01 -0.05 -0.04 2.70 2.66 1llfB1 PRO 1480 HA 0.02 0.20 0.32 -0.51 4.44 4.47 1llfB1 PRO 1480 HB2 0.01 -0.04 -0.02 -0.04 2.28 2.19 1llfB1 PRO 1480 HB3 -0.35 0.09 0.02 -0.04 2.02 1.74 1llfB1 PRO 1480 HG2 -0.78 0.01 0.01 -0.04 2.03 1.23 1llfB1 PRO 1480 HG3 -1.88 0.05 -0.02 -0.04 2.03 0.14 1llfB1 PRO 1480 HD2 -1.07 0.14 0.13 -0.04 3.68 2.83 1llfB1 PRO 1480 HD3 -0.86 0.20 0.00 -0.04 3.65 2.95 1llfB1 ASN 1481 H -0.10 0.17 -0.39 -0.55 8.53 7.66 1llfB1 ASN 1481 HA 0.07 0.01 0.46 -0.75 4.76 4.55 1llfB1 ASN 1481 HB2 0.04 0.08 0.00 -0.04 2.88 2.96 1llfB1 ASN 1481 HB3 0.06 0.02 0.08 -0.04 2.79 2.91 1llfB1 ASN 1481 HD21 0.08 0.03 0.03 -0.04 7.03 7.13 1llfB1 ASN 1481 HD22 0.20 0.41 0.12 -0.04 7.74 8.42 1llfB1 THR 1482 H 0.02 0.40 -0.45 -0.55 8.28 7.70 1llfB1 THR 1482 HA 0.03 0.10 0.60 -0.75 4.39 4.36 1llfB1 THR 1482 HB 0.02 0.04 0.11 -0.04 4.32 4.45 1llfB1 THR 1482 HG23 0.02 -0.00 -0.02 -0.04 1.22 1.19 1llfB1 ALA 1483 H 0.04 0.33 -0.46 -0.55 8.40 7.76 1llfB1 ALA 1483 HA 0.03 0.15 0.46 -0.75 4.34 4.23 1llfB1 ALA 1483 HB3 0.04 -0.02 -0.05 -0.04 1.41 1.34 1llfB1 GLY 1484 H 0.03 0.32 -0.48 -0.55 8.43 7.75 1llfB1 GLY 1484 HA2 0.02 0.02 0.26 -0.51 4.01 3.80 1llfB1 GLY 1484 HA3 0.02 0.10 0.43 -0.51 4.01 4.05 1llfB1 LEU 1485 H 0.04 0.05 -0.09 -0.55 8.37 7.81 1llfB1 LEU 1485 HA -0.00 0.09 0.39 -0.75 4.35 4.08 1llfB1 LEU 1485 HB2 0.05 0.11 -0.01 -0.04 1.64 1.75 1llfB1 LEU 1485 HB3 -0.01 -0.11 0.04 -0.04 1.64 1.52 1llfB1 LEU 1485 HG 0.07 0.01 -0.06 -0.04 1.64 1.62 1llfB1 LEU 1485 HD13 0.19 -0.02 -0.08 -0.04 0.93 0.98 1llfB1 LEU 1485 HD23 -0.00 0.01 -0.11 -0.04 0.89 0.75 1llfB1 LEU 1486 H -0.02 0.10 0.13 -0.55 8.37 8.03 1llfB1 LEU 1486 HA 0.00 0.17 0.39 -0.75 4.35 4.15 1llfB1 LEU 1486 HB2 -0.03 -0.08 0.11 -0.04 1.64 1.60 1llfB1 LEU 1486 HB3 -0.01 0.00 0.12 -0.04 1.64 1.71 1llfB1 LEU 1486 HG -0.02 0.03 0.06 -0.04 1.64 1.67 1llfB1 LEU 1486 HD13 -0.02 -0.01 0.05 -0.04 0.93 0.90 1llfB1 LEU 1486 HD23 -0.01 0.02 -0.01 -0.04 0.89 0.86 1llfB1 VAL 1487 H -0.01 0.06 -0.45 -0.55 8.24 7.29 1llfB1 VAL 1487 HA 0.02 0.13 0.67 -0.75 4.13 4.19 1llfB1 VAL 1487 HB -0.05 -0.09 -0.10 -0.04 2.12 1.84 1llfB1 VAL 1487 HG13 -0.01 0.03 -0.24 -0.04 0.97 0.71 1llfB1 VAL 1487 HG23 -0.00 0.01 -0.35 -0.04 0.95 0.57 1llfB1 ASN 1488 H 0.05 0.13 0.01 -0.55 8.53 8.16 1llfB1 ASN 1488 HA 0.12 0.06 0.48 -0.75 4.76 4.67 1llfB1 ASN 1488 HB2 0.07 0.03 0.05 -0.04 2.88 2.99 1llfB1 ASN 1488 HB3 0.09 -0.02 0.00 -0.04 2.79 2.82 1llfB1 ASN 1488 HD21 0.12 -0.05 -0.29 -0.04 7.03 6.77 1llfB1 ASN 1488 HD22 0.13 0.04 -0.17 -0.04 7.74 7.70 1llfB1 TRP 1489 H 0.29 0.12 0.09 -0.55 7.97 7.93 1llfB1 TRP 1489 HA 0.07 0.15 0.70 -0.75 4.62 4.79 1llfB1 TRP 1489 HB2 0.00 -0.01 0.01 -0.04 3.23 3.19 1llfB1 TRP 1489 HB3 -0.00 -0.05 0.11 -0.04 3.23 3.24 1llfB1 TRP 1489 HD1 0.23 0.31 -0.16 -0.04 7.22 7.55 1llfB1 TRP 1489 HE1 0.24 0.07 0.14 -0.04 10.20 10.61 1llfB1 TRP 1489 HE3 -0.06 0.01 -0.09 -0.04 7.59 7.41 1llfB1 TRP 1489 HZ2 0.37 -0.10 -0.55 -0.04 7.44 7.12 1llfB1 TRP 1489 HZ3 0.00 -0.01 -0.11 -0.04 7.13 6.98 1llfB1 TRP 1489 HH2 0.32 -0.04 -0.21 -0.04 7.19 7.22 1llfB1 PRO 1490 HA 0.21 0.00 0.34 -0.51 4.44 4.49 1llfB1 PRO 1490 HB2 0.13 0.20 -0.02 -0.04 2.28 2.55 1llfB1 PRO 1490 HB3 0.13 -0.05 0.04 -0.04 2.02 2.10 1llfB1 PRO 1490 HG2 0.27 -0.03 -0.21 -0.04 2.03 2.03 1llfB1 PRO 1490 HG3 0.13 0.01 -0.20 -0.04 2.03 1.93 1llfB1 PRO 1490 HD2 0.31 -0.02 0.06 -0.04 3.68 3.99 1llfB1 PRO 1490 HD3 0.18 0.26 0.07 -0.04 3.65 4.11 1llfB1 LYS 1491 H 0.09 0.04 0.19 -0.55 8.42 8.19 1llfB1 LYS 1491 HA -0.38 0.20 0.75 -0.75 4.32 4.13 1llfB1 LYS 1491 HB2 -0.06 -0.09 0.11 -0.04 1.87 1.79 1llfB1 LYS 1491 HB3 -0.20 0.10 0.10 -0.04 1.79 1.76 1llfB1 LYS 1491 HG2 -0.45 0.07 0.07 -0.04 1.46 1.11 1llfB1 LYS 1491 HG3 0.01 -0.07 0.12 -0.04 1.46 1.48 1llfB1 LYS 1491 HD2 -0.03 -0.05 0.05 -0.04 1.69 1.62 1llfB1 LYS 1491 HD3 -0.09 0.02 0.06 -0.04 1.68 1.63 1llfB1 LYS 1491 HE2 0.08 0.05 0.04 -0.04 2.99 3.12 1llfB1 LYS 1491 HE3 0.08 -0.04 0.04 -0.04 2.99 3.03 1llfB1 TYR 1492 H -0.07 0.75 0.41 -0.55 8.29 8.82 1llfB1 TYR 1492 HA 0.00 0.04 0.86 -0.75 4.56 4.71 1llfB1 TYR 1492 HB2 0.07 0.00 0.06 -0.04 3.06 3.15 1llfB1 TYR 1492 HB3 -0.02 0.02 -0.04 -0.04 2.98 2.90 1llfB1 TYR 1492 HD2 0.04 0.22 -0.32 -0.04 7.15 7.05 1llfB1 TYR 1492 HE2 -0.00 -0.06 -0.26 -0.04 6.85 6.49 1llfB1 THR 1493 H -0.23 0.06 0.16 -0.55 8.28 7.73 1llfB1 THR 1493 HA 0.02 0.33 1.02 -0.75 4.39 5.01 1llfB1 THR 1493 HB -0.05 0.04 0.05 -0.04 4.32 4.32 1llfB1 THR 1493 HG23 -0.05 0.02 -0.15 -0.04 1.22 1.00 1llfB1 SER 1494 H -0.29 0.12 0.24 -0.55 8.46 7.99 1llfB1 SER 1494 HA 0.11 0.25 0.36 -0.75 4.49 4.45 1llfB1 SER 1494 HB2 -0.08 -0.04 0.19 -0.04 3.95 3.97 1llfB1 SER 1494 HB3 -0.07 0.28 -0.06 -0.04 3.93 4.04 1llfB1 SER 1495 H -0.03 0.27 0.13 -0.55 8.46 8.28 1llfB1 SER 1495 HA -0.15 0.08 0.44 -0.75 4.49 4.10 1llfB1 SER 1495 HB2 -0.16 0.22 0.20 -0.04 3.95 4.17 1llfB1 SER 1495 HB3 -0.03 0.00 0.13 -0.04 3.93 4.00 1llfB1 SER 1496 H -0.13 0.02 -0.34 -0.55 8.46 7.47 1llfB1 SER 1496 HA -0.10 0.13 0.62 -0.75 4.49 4.40 1llfB1 SER 1496 HB2 -0.09 -0.00 -0.05 -0.04 3.95 3.76 1llfB1 SER 1496 HB3 -0.07 0.00 0.06 -0.04 3.93 3.88 1llfB1 GLN 1497 H -0.17 0.35 -0.27 -0.55 8.47 7.83 1llfB1 GLN 1497 HA -0.09 0.06 0.38 -0.75 4.36 3.96 1llfB1 GLN 1497 HB2 -0.10 -0.06 0.15 -0.04 2.15 2.10 1llfB1 GLN 1497 HB3 -0.16 -0.08 0.18 -0.04 2.02 1.92 1llfB1 GLN 1497 HG2 -0.22 0.06 0.04 -0.04 2.40 2.24 1llfB1 GLN 1497 HG3 -0.12 -0.04 -0.19 -0.04 2.39 2.00 1llfB1 GLN 1497 HE21 -0.08 -0.09 -0.03 -0.04 6.97 6.73 1llfB1 GLN 1497 HE22 -0.10 0.28 0.12 -0.04 7.69 7.95 1llfB1 SER 1498 H -0.06 0.07 0.16 -0.55 8.46 8.09 1llfB1 SER 1498 HA -0.04 0.12 0.30 -0.75 4.49 4.11 1llfB1 SER 1498 HB2 -0.02 -0.01 0.06 -0.04 3.95 3.94 1llfB1 SER 1498 HB3 -0.03 0.01 0.12 -0.04 3.93 3.98 1llfB1 GLY 1499 H -0.04 0.01 -0.16 -0.55 8.43 7.69 1llfB1 GLY 1499 HA2 -0.01 0.22 0.91 -0.51 4.01 4.62 1llfB1 GLY 1499 HA3 -0.01 0.01 0.27 -0.51 4.01 3.77 1llfB1 ASN 1500 H 0.01 0.08 0.10 -0.55 8.53 8.17 1llfB1 ASN 1500 HA 0.01 -0.02 0.33 -0.75 4.76 4.32 1llfB1 ASN 1500 HB2 0.04 0.01 0.08 -0.04 2.88 2.96 1llfB1 ASN 1500 HB3 0.04 0.01 0.00 -0.04 2.79 2.80 1llfB1 ASN 1500 HD21 0.04 -0.01 -0.09 -0.04 7.03 6.94 1llfB1 ASN 1500 HD22 0.05 0.01 -0.05 -0.04 7.74 7.70 1llfB1 ASN 1501 H 0.03 0.26 0.42 -0.55 8.53 8.69 1llfB1 ASN 1501 HA 0.08 0.26 0.76 -0.75 4.76 5.11 1llfB1 ASN 1501 HB2 -0.26 -0.04 0.16 -0.04 2.88 2.70 1llfB1 ASN 1501 HB3 -0.17 0.09 -0.11 -0.04 2.79 2.56 1llfB1 ASN 1501 HD21 -0.33 -0.09 0.01 -0.04 7.03 6.59 1llfB1 ASN 1501 HD22 -0.73 0.11 0.04 -0.04 7.74 7.12 1llfB1 LEU 1502 H 0.09 0.38 0.27 -0.55 8.37 8.56 1llfB1 LEU 1502 HA 0.25 0.36 0.88 -0.75 4.35 5.09 1llfB1 LEU 1502 HB2 0.07 -0.15 -0.23 -0.04 1.64 1.28 1llfB1 LEU 1502 HB3 0.08 0.03 -0.27 -0.04 1.64 1.43 1llfB1 LEU 1502 HG 0.21 -0.12 -0.39 -0.04 1.64 1.31 1llfB1 LEU 1502 HD13 0.25 -0.02 -0.36 -0.04 0.93 0.76 1llfB1 LEU 1502 HD23 0.27 0.07 -0.21 -0.04 0.89 0.98 1llfB1 MET 1503 H -0.02 0.64 0.33 -0.55 8.47 8.87 1llfB1 MET 1503 HA -0.39 0.17 0.88 -0.75 4.52 4.44 1llfB1 MET 1503 HB2 -1.96 0.07 0.12 -0.04 2.15 0.34 1llfB1 MET 1503 HB3 -1.24 -0.04 0.19 -0.04 2.03 0.90 1llfB1 MET 1503 HG2 -1.45 -0.02 -0.09 -0.04 2.63 1.02 1llfB1 MET 1503 HG3 -0.67 -0.10 -0.32 -0.04 2.56 1.44 1llfB1 MET 1503 HE3 -0.32 0.03 -0.19 -0.04 2.10 1.58 1llfB1 MET 1504 H -0.41 0.86 0.44 -0.55 8.47 8.81 1llfB1 MET 1504 HA -0.26 0.30 0.94 -0.75 4.52 4.73 1llfB1 MET 1504 HB2 -1.73 -0.03 -0.20 -0.04 2.15 0.15 1llfB1 MET 1504 HB3 -0.89 -0.03 -0.08 -0.04 2.03 0.98 1llfB1 MET 1504 HG2 -0.35 0.07 -0.30 -0.04 2.63 2.01 1llfB1 MET 1504 HG3 -0.52 0.02 -0.40 -0.04 2.56 1.61 1llfB1 MET 1504 HE3 -0.07 -0.01 -0.10 -0.04 2.10 1.88 1llfB1 ILE 1505 H -0.16 0.34 0.32 -0.55 8.25 8.19 1llfB1 ILE 1505 HA -0.13 0.37 0.91 -0.75 4.18 4.58 1llfB1 ILE 1505 HB -0.09 -0.27 0.16 -0.04 1.89 1.64 1llfB1 ILE 1505 HG12 -0.33 0.12 -0.16 -0.04 1.49 1.07 1llfB1 ILE 1505 HG13 -0.25 0.01 -0.41 -0.04 1.21 0.52 1llfB1 ILE 1505 HG23 -0.19 0.01 -0.18 -0.04 0.93 0.52 1llfB1 ILE 1505 HD13 -0.43 -0.03 -0.08 -0.04 0.88 0.30 1llfB1 ASN 1506 H 0.04 0.86 0.25 -0.55 8.53 9.13 1llfB1 ASN 1506 HA 0.02 0.14 0.21 -0.75 4.76 4.37 1llfB1 ASN 1506 HB2 0.03 -0.02 0.19 -0.04 2.88 3.03 1llfB1 ASN 1506 HB3 0.20 0.06 -0.04 -0.04 2.79 2.97 1llfB1 ASN 1506 HD21 -0.17 0.03 -0.07 -0.04 7.03 6.77 1llfB1 ASN 1506 HD22 -0.20 0.07 -0.13 -0.04 7.74 7.44 1llfB1 ALA 1507 H -0.03 0.23 0.16 -0.55 8.40 8.22 1llfB1 ALA 1507 HA -0.15 0.02 0.49 -0.75 4.34 3.95 1llfB1 ALA 1507 HB3 -0.06 0.06 0.15 -0.04 1.41 1.52 1llfB1 LEU 1508 H -0.05 0.00 -0.31 -0.55 8.37 7.47 1llfB1 LEU 1508 HA -0.06 0.20 0.75 -0.75 4.35 4.49 1llfB1 LEU 1508 HB2 -0.05 -0.03 -0.02 -0.04 1.64 1.50 1llfB1 LEU 1508 HB3 -0.05 0.06 0.13 -0.04 1.64 1.74 1llfB1 LEU 1508 HG -0.04 -0.10 -0.07 -0.04 1.64 1.38 1llfB1 LEU 1508 HD13 -0.04 0.01 -0.01 -0.04 0.93 0.85 1llfB1 LEU 1508 HD23 -0.04 0.03 -0.03 -0.04 0.89 0.81 1llfB1 GLY 1509 H -0.06 0.32 -0.25 -0.55 8.43 7.89 1llfB1 GLY 1509 HA2 -0.09 0.04 0.24 -0.51 4.01 3.69 1llfB1 GLY 1509 HA3 -0.05 0.25 0.98 -0.51 4.01 4.69 1llfB1 LEU 1510 H -0.04 0.20 0.17 -0.55 8.37 8.16 1llfB1 LEU 1510 HA -0.08 0.28 0.92 -0.75 4.35 4.71 1llfB1 LEU 1510 HB2 -0.07 -0.02 0.00 -0.04 1.64 1.51 1llfB1 LEU 1510 HB3 -0.16 0.10 0.05 -0.04 1.64 1.60 1llfB1 LEU 1510 HG -0.12 -0.07 0.00 -0.04 1.64 1.41 1llfB1 LEU 1510 HD13 -0.14 -0.01 -0.04 -0.04 0.93 0.71 1llfB1 LEU 1510 HD23 -0.25 0.01 -0.15 -0.04 0.89 0.46 1llfB1 TYR 1511 H -0.19 0.65 0.35 -0.55 8.29 8.54 1llfB1 TYR 1511 HA -0.05 0.11 0.32 -0.75 4.56 4.19 1llfB1 TYR 1511 HB2 -0.03 -0.02 0.20 -0.04 3.06 3.17 1llfB1 TYR 1511 HB3 -0.04 0.13 0.01 -0.04 2.98 3.03 1llfB1 TYR 1511 HD2 -0.04 0.09 -0.27 -0.04 7.15 6.89 1llfB1 TYR 1511 HE2 -0.03 -0.04 -0.27 -0.04 6.85 6.47 1llfB1 THR 1512 H 0.12 0.19 0.22 -0.55 8.28 8.26 1llfB1 THR 1512 HA -0.18 0.27 1.22 -0.75 4.39 4.94 1llfB1 THR 1512 HB 0.01 0.02 0.11 -0.04 4.32 4.42 1llfB1 THR 1512 HG23 -0.03 -0.00 -0.11 -0.04 1.22 1.04 1llfB1 GLY 1513 H -0.03 0.61 0.34 -0.55 8.43 8.81 1llfB1 GLY 1513 HA2 0.06 0.15 0.58 -0.51 4.01 4.29 1llfB1 GLY 1513 HA3 0.04 0.02 0.32 -0.51 4.01 3.88 1llfB1 LYS 1514 H 0.09 0.21 0.17 -0.55 8.42 8.33 1llfB1 LYS 1514 HA 0.05 0.12 0.95 -0.75 4.32 4.68 1llfB1 LYS 1514 HB2 0.06 -0.03 0.03 -0.04 1.87 1.88 1llfB1 LYS 1514 HB3 0.01 0.12 -0.07 -0.04 1.79 1.81 1llfB1 LYS 1514 HG2 0.00 0.17 -0.29 -0.04 1.46 1.29 1llfB1 LYS 1514 HG3 0.03 -0.13 -0.29 -0.04 1.46 1.02 1llfB1 LYS 1514 HD2 0.02 -0.06 -0.08 -0.04 1.69 1.52 1llfB1 LYS 1514 HD3 -0.01 0.09 -0.13 -0.04 1.68 1.59 1llfB1 LYS 1514 HE2 -0.01 0.12 -0.43 -0.04 2.99 2.63 1llfB1 LYS 1514 HE3 0.01 -0.13 -0.14 -0.04 2.99 2.69 1llfB1 ASP 1515 H 0.04 0.28 0.06 -0.55 8.40 8.23 1llfB1 ASP 1515 HA 0.04 0.05 0.60 -0.75 4.63 4.57 1llfB1 ASP 1515 HB2 0.27 0.01 -0.02 -0.04 2.71 2.93 1llfB1 ASP 1515 HB3 0.10 0.07 0.18 -0.04 2.70 3.00 1llfB1 ASN 1516 H 0.05 0.32 -0.40 -0.55 8.53 7.95 1llfB1 ASN 1516 HA -0.18 0.29 0.85 -0.75 4.76 4.97 1llfB1 ASN 1516 HB2 -0.05 0.01 0.12 -0.04 2.88 2.92 1llfB1 ASN 1516 HB3 -0.06 0.13 -0.17 -0.04 2.79 2.66 1llfB1 ASN 1516 HD21 -0.01 0.09 -0.04 -0.04 7.03 7.03 1llfB1 ASN 1516 HD22 0.02 -0.03 -0.05 -0.04 7.74 7.64 1llfB1 PHE 1517 H -0.60 0.12 -0.07 -0.55 8.34 7.23 1llfB1 PHE 1517 HA -0.01 0.13 0.71 -0.75 4.62 4.69 1llfB1 PHE 1517 HB2 -0.07 0.00 0.04 -0.04 3.15 3.08 1llfB1 PHE 1517 HB3 -0.03 0.04 0.05 -0.04 3.06 3.08 1llfB1 PHE 1517 HD2 -0.03 0.04 -0.08 -0.04 7.28 7.17 1llfB1 PHE 1517 HE2 -0.01 0.01 -0.06 -0.04 7.38 7.28 1llfB1 PHE 1517 HZ 0.04 0.01 -0.07 -0.04 7.32 7.26 1llfB1 ARG 1518 H 0.13 0.17 0.18 -0.55 8.46 8.39 1llfB1 ARG 1518 HA 0.04 0.05 0.37 -0.75 4.34 4.05 1llfB1 ARG 1518 HB2 0.36 0.11 -0.17 -0.04 1.90 2.16 1llfB1 ARG 1518 HB3 0.21 -0.04 0.18 -0.04 1.80 2.11 1llfB1 ARG 1518 HG2 0.02 0.06 0.11 -0.04 1.67 1.82 1llfB1 ARG 1518 HG3 0.05 -0.05 -0.01 -0.04 1.67 1.61 1llfB1 ARG 1518 HD2 0.16 0.04 0.02 -0.04 3.22 3.41 1llfB1 ARG 1518 HD3 -0.15 0.10 0.03 -0.04 3.22 3.15 1llfB1 THR 1519 H -0.01 0.15 -0.17 -0.55 8.28 7.71 1llfB1 THR 1519 HA -0.10 0.16 0.30 -0.75 4.39 4.00 1llfB1 THR 1519 HB -0.07 0.04 -0.02 -0.04 4.32 4.24 1llfB1 THR 1519 HG23 -0.12 0.04 -0.19 -0.04 1.22 0.91 1llfB1 ALA 1520 H -0.03 0.09 -0.13 -0.55 8.40 7.78 1llfB1 ALA 1520 HA -0.02 0.12 0.45 -0.75 4.34 4.13 1llfB1 ALA 1520 HB3 -0.06 0.04 0.05 -0.04 1.41 1.41 1llfB1 GLY 1521 H -0.09 0.06 -0.37 -0.55 8.43 7.49 1llfB1 GLY 1521 HA2 -0.11 0.09 0.37 -0.51 4.01 3.85 1llfB1 GLY 1521 HA3 -0.15 0.09 0.21 -0.51 4.01 3.65 1llfB1 TYR 1522 H -0.00 0.45 -0.14 -0.55 8.29 8.05 1llfB1 TYR 1522 HA -0.26 0.01 0.41 -0.75 4.56 3.95 1llfB1 TYR 1522 HB2 -1.03 0.04 0.08 -0.04 3.06 2.11 1llfB1 TYR 1522 HB3 -0.28 0.12 0.12 -0.04 2.98 2.90 1llfB1 TYR 1522 HD2 -0.23 -0.02 -0.13 -0.04 7.15 6.72 1llfB1 TYR 1522 HE2 0.10 0.02 -0.11 -0.04 6.85 6.82 1llfB1 ASP 1523 H 0.05 0.53 -0.26 -0.55 8.40 8.17 1llfB1 ASP 1523 HA 0.02 0.03 0.29 -0.75 4.63 4.22 1llfB1 ASP 1523 HB2 0.01 0.07 0.12 -0.04 2.71 2.87 1llfB1 ASP 1523 HB3 0.02 -0.04 -0.01 -0.04 2.70 2.63 1llfB1 ALA 1524 H -0.03 0.51 -0.25 -0.55 8.40 8.08 1llfB1 ALA 1524 HA -0.02 -0.01 0.32 -0.75 4.34 3.87 1llfB1 ALA 1524 HB3 -0.02 0.02 -0.03 -0.04 1.41 1.34 1llfB1 LEU 1525 H -0.16 0.44 -0.32 -0.55 8.37 7.79 1llfB1 LEU 1525 HA -0.85 0.08 0.49 -0.75 4.35 3.33 1llfB1 LEU 1525 HB2 -0.18 0.07 0.06 -0.04 1.64 1.55 1llfB1 LEU 1525 HB3 -0.33 -0.04 -0.07 -0.04 1.64 1.16 1llfB1 LEU 1525 HG -0.23 0.03 -0.04 -0.04 1.64 1.37 1llfB1 LEU 1525 HD13 -0.04 -0.03 -0.13 -0.04 0.93 0.69 1llfB1 LEU 1525 HD23 -1.02 0.00 -0.04 -0.04 0.89 -0.21 1llfB1 MET 1526 H -0.26 0.52 -0.13 -0.55 8.47 8.06 1llfB1 MET 1526 HA -0.27 0.07 0.33 -0.75 4.52 3.90 1llfB1 MET 1526 HB2 -0.82 0.14 -0.03 -0.04 2.15 1.39 1llfB1 MET 1526 HB3 -0.13 -0.03 0.03 -0.04 2.03 1.86 1llfB1 MET 1526 HG2 -0.46 -0.01 -0.05 -0.04 2.63 2.07 1llfB1 MET 1526 HG3 -0.62 -0.01 -0.08 -0.04 2.56 1.81 1llfB1 MET 1526 HE3 0.06 -0.02 -0.27 -0.04 2.10 1.83 1llfB1 THR 1527 H -0.09 0.33 -0.19 -0.55 8.28 7.78 1llfB1 THR 1527 HA 0.03 0.08 0.58 -0.75 4.39 4.32 1llfB1 THR 1527 HB -0.01 0.00 0.05 -0.04 4.32 4.33 1llfB1 THR 1527 HG23 0.01 -0.02 -0.05 -0.04 1.22 1.11 1llfB1 ASN 1528 H -0.05 0.18 -0.38 -0.55 8.53 7.74 1llfB1 ASN 1528 HA -0.10 0.23 0.67 -0.75 4.76 4.80 1llfB1 ASN 1528 HB2 -0.08 0.00 0.10 -0.04 2.88 2.86 1llfB1 ASN 1528 HB3 -0.14 -0.08 0.06 -0.04 2.79 2.59 1llfB1 ASN 1528 HD21 -0.03 -0.02 -0.12 -0.04 7.03 6.83 1llfB1 ASN 1528 HD22 -0.03 0.02 -0.14 -0.04 7.74 7.56 1llfB1 PRO 1529 HA -0.33 0.38 0.34 -0.51 4.44 4.32 1llfB1 PRO 1529 HB2 -0.66 -0.11 -0.02 -0.04 2.28 1.44 1llfB1 PRO 1529 HB3 -1.37 0.05 0.01 -0.04 2.02 0.67 1llfB1 PRO 1529 HG2 -0.48 0.01 -0.01 -0.04 2.03 1.51 1llfB1 PRO 1529 HG3 -0.51 0.11 0.03 -0.04 2.03 1.62 1llfB1 PRO 1529 HD2 -0.19 0.03 0.02 -0.04 3.68 3.50 1llfB1 PRO 1529 HD3 -0.12 0.44 -0.49 -0.04 3.65 3.44 1llfB1 SER 1530 H -0.55 0.14 -0.33 -0.55 8.46 7.18 1llfB1 SER 1530 HA -2.74 0.03 0.26 -0.75 4.49 1.29 1llfB1 SER 1530 HB2 -0.72 0.00 0.06 -0.04 3.95 3.25 1llfB1 SER 1530 HB3 -0.74 -0.04 0.04 -0.04 3.93 3.15 1llfB1 SER 1531 H -0.35 0.44 -0.46 -0.55 8.46 7.54 1llfB1 SER 1531 HA -0.27 0.07 0.41 -0.75 4.49 3.95 1llfB1 SER 1531 HB2 -0.36 0.20 0.04 -0.04 3.95 3.79 1llfB1 SER 1531 HB3 -0.55 -0.10 0.00 -0.04 3.93 3.24 1llfB1 PHE 1532 H -0.17 0.53 -0.30 -0.55 8.34 7.85 1llfB1 PHE 1532 HA -0.26 0.13 0.77 -0.75 4.62 4.50 1llfB1 PHE 1532 HB2 -0.31 0.14 0.12 -0.04 3.15 3.06 1llfB1 PHE 1532 HB3 -0.60 -0.05 0.15 -0.04 3.06 2.52 1llfB1 PHE 1532 HD2 -1.18 0.08 -0.01 -0.04 7.28 6.13 1llfB1 PHE 1532 HE2 -0.30 0.01 -0.04 -0.04 7.38 7.02 1llfB1 PHE 1532 HZ -0.17 0.02 -0.12 -0.04 7.32 7.01 1llfB1 PHE 1533 H 0.09 0.21 -0.36 -0.55 8.34 7.73 1llfB1 PHE 1533 HA 0.02 0.28 0.53 -0.75 4.62 4.70 1llfB1 PHE 1533 HB2 0.06 0.11 -0.01 -0.04 3.15 3.27 1llfB1 PHE 1533 HB3 0.04 -0.25 -0.17 -0.04 3.06 2.64 1llfB1 PHE 1533 HD2 -0.08 0.07 -0.33 -0.04 7.28 6.90 1llfB1 PHE 1533 HE2 -0.31 -0.01 -0.13 -0.04 7.38 6.89 1llfB1 PHE 1533 HZ -0.02 -0.17 -0.08 -0.04 7.32 7.02 1llfB1 VAL 1534 H 0.09 0.59 0.34 -0.55 8.24 8.70 1llfB1 VAL 1534 HA 0.02 0.25 0.78 -0.75 4.13 4.43 1llfB1 VAL 1534 HB -0.05 0.01 0.11 -0.04 2.12 2.15 1llfB1 VAL 1534 HG13 0.02 0.09 -0.00 -0.04 0.97 1.03 1llfB1 VAL 1534 HG23 -0.01 0.04 0.11 -0.04 0.95 1.04