============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. HIS 27 0.900 13.045 -16.894 25.722 -99.200 -91.000 TYR 31 0.840 3.852 -19.793 27.119 -99.200 -91.000 TRP 32 1.040 0.594 -19.410 18.209 -99.200 -91.000 TRP6 32 1.020 0.386 -17.296 17.133 -99.200 -91.000 TYR 33 0.840 -1.086 -16.097 26.192 -99.200 -91.000 HIS 39 0.900 -14.196 -13.118 26.913 -99.200 -91.000 HIS 45 0.900 -3.934 -25.806 20.826 -99.200 -91.000 TYR 46 0.840 0.709 -25.041 27.797 -99.200 -91.000 TYR 48 0.840 5.052 -26.127 29.671 -99.200 -91.000 TYR 62 0.840 -8.250 -21.008 17.718 -99.200 -91.000 PHE 72 1.000 3.057 -23.200 19.902 -99.200 -91.000 TYR 87 0.840 -6.206 -15.470 16.695 -99.200 -91.000 PHE 88 1.000 -1.116 -9.330 21.121 -99.200 -91.000 TYR 98 0.840 11.362 -12.105 27.206 -99.200 -91.000 PHE 99 1.000 2.731 -11.407 25.774 -99.200 -91.000 PHE 122 1.000 -11.439 16.645 4.315 -99.200 -91.000 PHE 144 1.000 -10.899 1.865 7.058 -99.200 -91.000 PHE 145 1.000 -16.060 -5.637 6.376 -99.200 -91.000 HIS 148 0.900 -7.767 -7.163 9.552 -99.200 -91.000 TRP 153 1.040 -0.567 12.433 9.852 -99.200 -91.000 TRP6 153 1.020 -1.599 13.958 8.351 -99.200 -91.000 TRP 154 1.040 4.758 8.429 5.639 -99.200 -91.000 TRP6 154 1.020 6.778 7.199 5.815 -99.200 -91.000 HIS 161 0.900 6.197 8.170 14.760 -99.200 -91.000 TYR 171 0.840 -14.433 7.014 15.567 -99.200 -91.000 TYR 176 0.840 -21.583 -6.201 5.429 -99.200 -91.000 TYR 178 0.840 -14.749 -1.449 10.516 -99.200 -91.000 PHE 190 1.000 7.590 21.919 8.562 -99.200 -91.000 TRP 191 1.040 -0.290 25.634 5.485 -99.200 -91.000 TRP6 191 1.020 -0.622 23.629 4.268 -99.200 -91.000 HIS 192 0.900 1.427 30.550 5.987 -99.200 -91.000 HIS 197 0.900 5.155 15.411 -0.351 -99.200 -91.000 PHE 198 1.000 3.093 20.023 5.362 -99.200 -91.000 PHE 204 1.000 -7.988 -2.708 2.827 -99.200 -91.000 HIS 205 0.900 -1.539 -4.468 6.757 -99.200 -91.000 TRP 213 1.040 -11.897 -8.853 -6.718 -99.200 -91.000 TRP6 213 1.020 -13.032 -8.508 -4.671 -99.200 -91.000 TRP 230 1.040 3.441 19.397 -3.214 -99.200 -91.000 TRP6 230 1.020 5.701 18.756 -2.964 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2q86B1 ALA 3 HA -0.03 -0.03 0.12 -0.75 4.34 3.65 2q86B1 ALA 3 HB3 -0.08 -0.03 -0.02 -0.04 1.41 1.24 2q86B1 VAL 4 H 0.03 0.33 0.05 -0.55 8.24 8.10 2q86B1 VAL 4 HA 0.01 0.15 0.73 -0.75 4.13 4.28 2q86B1 VAL 4 HB 0.08 0.10 -0.14 -0.04 2.12 2.11 2q86B1 VAL 4 HG13 0.01 -0.03 -0.28 -0.04 0.97 0.64 2q86B1 VAL 4 HG23 0.06 0.02 -0.14 -0.04 0.95 0.85 2q86B1 THR 5 H 0.02 0.77 0.23 -0.55 8.28 8.76 2q86B1 THR 5 HA 0.04 0.12 0.99 -0.75 4.39 4.79 2q86B1 THR 5 HB 0.03 -0.01 0.12 -0.04 4.32 4.42 2q86B1 THR 5 HG23 0.03 0.01 -0.12 -0.04 1.22 1.10 2q86B1 GLN 6 H 0.05 0.11 0.24 -0.55 8.47 8.32 2q86B1 GLN 6 HA 0.13 0.35 1.07 -0.75 4.36 5.15 2q86B1 GLN 6 HB2 0.08 0.03 -0.02 -0.04 2.15 2.21 2q86B1 GLN 6 HB3 0.25 0.12 -0.03 -0.04 2.02 2.31 2q86B1 GLN 6 HG2 -0.03 0.05 -0.03 -0.04 2.40 2.34 2q86B1 GLN 6 HG3 0.05 -0.13 0.06 -0.04 2.39 2.32 2q86B1 GLN 6 HE21 0.15 0.37 -0.05 -0.04 6.97 7.40 2q86B1 GLN 6 HE22 0.27 0.14 -0.21 -0.04 7.69 7.85 2q86B1 SER 7 H 0.14 0.65 0.33 -0.55 8.46 9.04 2q86B1 SER 7 HA 0.03 -0.02 0.39 -0.75 4.49 4.14 2q86B1 SER 7 HB2 0.02 -0.03 0.10 -0.04 3.95 4.00 2q86B1 SER 7 HB3 0.04 0.07 -0.14 -0.04 3.93 3.85 2q86B1 PRO 8 HA -0.00 0.04 0.42 -0.51 4.44 4.38 2q86B1 PRO 8 HB2 -0.04 0.16 0.10 -0.04 2.28 2.46 2q86B1 PRO 8 HB3 -0.02 -0.00 0.18 -0.04 2.02 2.13 2q86B1 PRO 8 HG2 -0.06 0.01 -0.10 -0.04 2.03 1.84 2q86B1 PRO 8 HG3 -0.04 0.02 0.08 -0.04 2.03 2.05 2q86B1 PRO 8 HD2 -0.05 0.13 0.58 -0.04 3.68 4.30 2q86B1 PRO 8 HD3 -0.03 0.09 0.23 -0.04 3.65 3.90 2q86B1 ARG 9 H -0.05 0.12 0.19 -0.55 8.46 8.16 2q86B1 ARG 9 HA -0.06 0.21 0.74 -0.75 4.34 4.47 2q86B1 ARG 9 HB2 -0.11 -0.06 0.14 -0.04 1.90 1.83 2q86B1 ARG 9 HB3 -0.14 0.04 0.12 -0.04 1.80 1.78 2q86B1 ARG 9 HG2 -0.01 0.07 0.03 -0.04 1.67 1.71 2q86B1 ARG 9 HG3 -0.02 -0.04 0.09 -0.04 1.67 1.66 2q86B1 ARG 9 HD2 -0.05 0.34 0.14 -0.04 3.22 3.61 2q86B1 ARG 9 HD3 0.01 -0.12 0.09 -0.04 3.22 3.15 2q86B1 ASN 10 H -0.12 0.14 0.00 -0.55 8.53 8.00 2q86B1 ASN 10 HA -0.24 0.27 0.77 -0.75 4.76 4.81 2q86B1 ASN 10 HB2 -0.24 -0.08 -0.01 -0.04 2.88 2.51 2q86B1 ASN 10 HB3 -0.11 0.05 0.01 -0.04 2.79 2.70 2q86B1 ASN 10 HD21 -0.75 0.06 -0.18 -0.04 7.03 6.11 2q86B1 ASN 10 HD22 -0.83 -0.11 -0.19 -0.04 7.74 6.57 2q86B1 LYS 11 H -0.03 0.55 0.26 -0.55 8.42 8.65 2q86B1 LYS 11 HA -0.00 0.09 0.72 -0.75 4.32 4.37 2q86B1 LYS 11 HB2 -0.05 0.06 -0.21 -0.04 1.87 1.64 2q86B1 LYS 11 HB3 -0.04 -0.00 -0.09 -0.04 1.79 1.61 2q86B1 LYS 11 HG2 -0.06 -0.04 -0.16 -0.04 1.46 1.16 2q86B1 LYS 11 HG3 -0.01 -0.04 -0.52 -0.04 1.46 0.84 2q86B1 LYS 11 HD2 -0.01 -0.02 0.09 -0.04 1.69 1.70 2q86B1 LYS 11 HD3 -0.03 -0.01 0.05 -0.04 1.68 1.65 2q86B1 LYS 11 HE2 -0.04 -0.05 -0.01 -0.04 2.99 2.85 2q86B1 LYS 11 HE3 -0.02 0.04 -0.17 -0.04 2.99 2.80 2q86B1 VAL 12 H 0.00 0.24 0.14 -0.55 8.24 8.07 2q86B1 VAL 12 HA 0.02 0.23 1.01 -0.75 4.13 4.64 2q86B1 VAL 12 HB -0.01 -0.04 0.01 -0.04 2.12 2.04 2q86B1 VAL 12 HG13 -0.00 -0.00 -0.10 -0.04 0.97 0.82 2q86B1 VAL 12 HG23 -0.14 0.01 -0.11 -0.04 0.95 0.67 2q86B1 ALA 13 H 0.03 0.74 0.32 -0.55 8.40 8.94 2q86B1 ALA 13 HA 0.02 0.15 0.85 -0.75 4.34 4.60 2q86B1 ALA 13 HB3 -0.00 0.01 -0.16 -0.04 1.41 1.21 2q86B1 VAL 14 H 0.02 0.15 0.11 -0.55 8.24 7.97 2q86B1 VAL 14 HA 0.05 0.20 0.75 -0.75 4.13 4.37 2q86B1 VAL 14 HB 0.02 -0.02 0.01 -0.04 2.12 2.09 2q86B1 VAL 14 HG13 0.03 0.05 -0.09 -0.04 0.97 0.92 2q86B1 VAL 14 HG23 0.06 -0.03 -0.11 -0.04 0.95 0.82 2q86B1 THR 15 H 0.04 0.67 0.22 -0.55 8.28 8.66 2q86B1 THR 15 HA 0.01 0.06 0.29 -0.75 4.39 3.99 2q86B1 THR 15 HB 0.02 0.02 0.17 -0.04 4.32 4.50 2q86B1 THR 15 HG23 0.01 0.00 -0.04 -0.04 1.22 1.15 2q86B1 GLY 16 H -0.01 0.73 0.22 -0.55 8.43 8.82 2q86B1 GLY 16 HA2 -0.02 -0.03 0.33 -0.51 4.01 3.79 2q86B1 GLY 16 HA3 -0.01 0.08 0.60 -0.51 4.01 4.18 2q86B1 GLY 17 H -0.01 0.47 -0.20 -0.55 8.43 8.14 2q86B1 GLY 17 HA2 -0.01 0.11 0.61 -0.51 4.01 4.21 2q86B1 GLY 17 HA3 -0.01 -0.02 0.30 -0.51 4.01 3.78 2q86B1 LYS 18 H -0.02 0.11 0.18 -0.55 8.42 8.14 2q86B1 LYS 18 HA -0.05 0.36 0.91 -0.75 4.32 4.78 2q86B1 LYS 18 HB2 -0.04 0.09 0.07 -0.04 1.87 1.95 2q86B1 LYS 18 HB3 -0.03 -0.08 0.11 -0.04 1.79 1.75 2q86B1 LYS 18 HG2 -0.06 -0.05 -0.29 -0.04 1.46 1.02 2q86B1 LYS 18 HG3 -0.06 0.05 -0.04 -0.04 1.46 1.37 2q86B1 LYS 18 HD2 -0.04 0.02 -0.02 -0.04 1.69 1.61 2q86B1 LYS 18 HD3 -0.03 -0.03 -0.05 -0.04 1.68 1.52 2q86B1 LYS 18 HE2 -0.05 -0.02 -0.17 -0.04 2.99 2.72 2q86B1 LYS 18 HE3 -0.05 -0.03 -0.13 -0.04 2.99 2.74 2q86B1 VAL 19 H -0.09 0.67 0.29 -0.55 8.24 8.56 2q86B1 VAL 19 HA -0.08 0.16 0.86 -0.75 4.13 4.32 2q86B1 VAL 19 HB -0.13 -0.03 0.02 -0.04 2.12 1.94 2q86B1 VAL 19 HG13 -0.16 0.00 -0.26 -0.04 0.97 0.52 2q86B1 VAL 19 HG23 -0.06 0.00 -0.31 -0.04 0.95 0.55 2q86B1 THR 20 H -0.10 0.25 0.13 -0.55 8.28 8.01 2q86B1 THR 20 HA -0.18 0.31 1.07 -0.75 4.39 4.84 2q86B1 THR 20 HB -0.07 -0.03 0.06 -0.04 4.32 4.24 2q86B1 THR 20 HG23 -0.09 -0.01 -0.26 -0.04 1.22 0.83 2q86B1 LEU 21 H -0.36 0.68 0.31 -0.55 8.37 8.46 2q86B1 LEU 21 HA -0.12 0.27 0.97 -0.75 4.35 4.71 2q86B1 LEU 21 HB2 -1.04 -0.10 0.08 -0.04 1.64 0.54 2q86B1 LEU 21 HB3 -0.27 0.06 -0.02 -0.04 1.64 1.36 2q86B1 LEU 21 HG -0.52 -0.03 -0.17 -0.04 1.64 0.88 2q86B1 LEU 21 HD13 -0.76 -0.00 -0.13 -0.04 0.93 0.00 2q86B1 LEU 21 HD23 -0.21 0.04 -0.23 -0.04 0.89 0.46 2q86B1 SER 22 H 0.09 0.87 0.40 -0.55 8.46 9.27 2q86B1 SER 22 HA 0.19 0.11 0.96 -0.75 4.49 5.00 2q86B1 SER 22 HB2 0.09 -0.01 0.06 -0.04 3.95 4.05 2q86B1 SER 22 HB3 0.10 -0.03 -0.04 -0.04 3.93 3.92 2q86B1 CYS 23 H 0.29 0.36 0.23 -0.55 8.50 8.84 2q86B1 CYS 23 HA 0.11 0.26 0.93 -0.75 4.58 5.13 2q86B1 CYS 23 HB2 -0.20 -0.03 -0.04 -0.04 2.97 2.66 2q86B1 CYS 23 HB3 0.09 0.09 0.20 -0.04 2.97 3.31 2q86B1 ASN 24 H 0.05 0.65 0.27 -0.55 8.53 8.96 2q86B1 ASN 24 HA 0.05 0.26 0.87 -0.75 4.76 5.19 2q86B1 ASN 24 HB2 0.05 -0.04 -0.11 -0.04 2.88 2.74 2q86B1 ASN 24 HB3 0.04 -0.02 0.10 -0.04 2.79 2.87 2q86B1 ASN 24 HD21 0.02 -0.02 -0.08 -0.04 7.03 6.90 2q86B1 ASN 24 HD22 0.03 -0.01 -0.10 -0.04 7.74 7.62 2q86B1 GLN 25 H 0.02 0.70 0.35 -0.55 8.47 9.00 2q86B1 GLN 25 HA -0.01 0.34 1.12 -0.75 4.36 5.06 2q86B1 GLN 25 HB2 -0.05 -0.16 0.17 -0.04 2.15 2.08 2q86B1 GLN 25 HB3 0.01 -0.01 0.03 -0.04 2.02 2.01 2q86B1 GLN 25 HG2 0.02 0.11 0.01 -0.04 2.40 2.49 2q86B1 GLN 25 HG3 -0.01 -0.04 0.20 -0.04 2.39 2.51 2q86B1 GLN 25 HE21 0.03 0.43 0.04 -0.04 6.97 7.43 2q86B1 GLN 25 HE22 0.00 0.24 -0.02 -0.04 7.69 7.87 2q86B1 THR 26 H -0.07 0.69 0.30 -0.55 8.28 8.66 2q86B1 THR 26 HA -0.05 0.17 0.93 -0.75 4.39 4.68 2q86B1 THR 26 HB -0.05 -0.01 0.17 -0.04 4.32 4.39 2q86B1 THR 26 HG23 -0.02 0.01 -0.16 -0.04 1.22 1.01 2q86B1 ASN 27 H -0.18 0.11 -0.04 -0.55 8.53 7.88 2q86B1 ASN 27 HA -0.28 0.19 0.52 -0.75 4.76 4.44 2q86B1 ASN 27 HB2 -0.68 -0.06 -0.00 -0.04 2.88 2.10 2q86B1 ASN 27 HB3 -1.43 0.02 0.01 -0.04 2.79 1.36 2q86B1 ASN 27 HD21 -0.12 0.04 -0.18 -0.04 7.03 6.73 2q86B1 ASN 27 HD22 -0.08 -0.04 -0.07 -0.04 7.74 7.51 2q86B1 ASN 28 H -0.13 0.08 -0.36 -0.55 8.53 7.58 2q86B1 ASN 28 HA -0.05 0.02 0.15 -0.75 4.76 4.13 2q86B1 ASN 28 HB2 -0.06 0.00 -0.17 -0.04 2.88 2.61 2q86B1 ASN 28 HB3 -0.06 0.15 0.13 -0.04 2.79 2.97 2q86B1 ASN 28 HD21 -0.01 -0.03 0.02 -0.04 7.03 6.97 2q86B1 ASN 28 HD22 -0.02 0.03 0.02 -0.04 7.74 7.72 2q86B1 HIS 29 H -0.10 -0.03 -0.32 -0.55 8.41 7.41 2q86B1 HIS 29 HA -0.01 0.10 0.61 -0.75 4.63 4.58 2q86B1 HIS 29 HB2 0.00 -0.02 -0.02 -0.04 3.26 3.18 2q86B1 HIS 29 HB3 0.03 0.17 -0.12 -0.04 3.20 3.23 2q86B1 HIS 29 HD2 -0.01 0.07 -0.16 -0.04 6.97 6.83 2q86B1 HIS 29 HE1 -0.58 0.03 -0.12 -0.04 7.75 7.05 2q86B1 ASN 30 H 0.08 0.11 0.22 -0.55 8.53 8.38 2q86B1 ASN 30 HA 0.01 0.06 0.48 -0.75 4.76 4.56 2q86B1 ASN 30 HB2 0.01 -0.07 0.18 -0.04 2.88 2.96 2q86B1 ASN 30 HB3 0.01 0.21 0.05 -0.04 2.79 3.02 2q86B1 ASN 30 HD21 0.00 -0.01 0.06 -0.04 7.03 7.04 2q86B1 ASN 30 HD22 -0.01 -0.02 0.09 -0.04 7.74 7.76 2q86B1 ASN 31 H 0.04 0.21 0.02 -0.55 8.53 8.25 2q86B1 ASN 31 HA -0.07 0.40 0.92 -0.75 4.76 5.26 2q86B1 ASN 31 HB2 0.11 -0.07 0.09 -0.04 2.88 2.97 2q86B1 ASN 31 HB3 -0.08 0.03 0.00 -0.04 2.79 2.70 2q86B1 ASN 31 HD21 -0.08 -0.03 -0.03 -0.04 7.03 6.85 2q86B1 ASN 31 HD22 0.05 -0.06 -0.11 -0.04 7.74 7.58 2q86B1 MET 32 H -0.49 0.58 0.40 -0.55 8.47 8.41 2q86B1 MET 32 HA -0.12 0.25 0.86 -0.75 4.52 4.76 2q86B1 MET 32 HB2 -0.64 -0.05 -0.04 -0.04 2.15 1.38 2q86B1 MET 32 HB3 -0.07 -0.02 0.09 -0.04 2.03 1.99 2q86B1 MET 32 HG2 -0.02 -0.03 0.01 -0.04 2.63 2.55 2q86B1 MET 32 HG3 -0.12 0.01 -0.64 -0.04 2.56 1.78 2q86B1 MET 32 HE3 0.07 -0.01 -0.16 -0.04 2.10 1.96 2q86B1 TYR 33 H 0.09 0.52 0.35 -0.55 8.29 8.70 2q86B1 TYR 33 HA 0.23 0.16 1.05 -0.75 4.56 5.24 2q86B1 TYR 33 HB2 0.06 -0.06 -0.08 -0.04 3.06 2.94 2q86B1 TYR 33 HB3 -0.26 0.02 -0.11 -0.04 2.98 2.60 2q86B1 TYR 33 HD2 -0.08 0.04 -0.31 -0.04 7.15 6.76 2q86B1 TYR 33 HE2 -0.08 -0.01 -0.29 -0.04 6.85 6.43 2q86B1 TRP 34 H 0.42 0.68 0.37 -0.55 7.97 8.89 2q86B1 TRP 34 HA 0.21 0.23 1.00 -0.75 4.62 5.31 2q86B1 TRP 34 HB2 0.00 -0.04 0.14 -0.04 3.23 3.29 2q86B1 TRP 34 HB3 0.01 0.03 -0.03 -0.04 3.23 3.20 2q86B1 TRP 34 HD1 -1.20 -0.03 -0.34 -0.04 7.22 5.61 2q86B1 TRP 34 HE1 -0.32 0.30 -0.37 -0.04 10.20 9.77 2q86B1 TRP 34 HE3 0.19 0.13 -0.14 -0.04 7.59 7.73 2q86B1 TRP 34 HZ2 -0.03 -0.01 -0.57 -0.04 7.44 6.79 2q86B1 TRP 34 HZ3 0.11 -0.01 -0.39 -0.04 7.13 6.80 2q86B1 TRP 34 HH2 0.00 0.04 -0.21 -0.04 7.19 6.98 2q86B1 TYR 35 H 0.58 0.87 0.34 -0.55 8.29 9.53 2q86B1 TYR 35 HA 0.20 0.18 1.05 -0.75 4.56 5.23 2q86B1 TYR 35 HB2 0.33 -0.00 0.02 -0.04 3.06 3.36 2q86B1 TYR 35 HB3 0.17 0.03 -0.06 -0.04 2.98 3.09 2q86B1 TYR 35 HD2 0.17 0.03 -0.48 -0.04 7.15 6.83 2q86B1 TYR 35 HE2 -0.08 -0.00 -0.20 -0.04 6.85 6.52 2q86B1 ARG 36 H 0.17 0.54 0.36 -0.55 8.46 8.97 2q86B1 ARG 36 HA -0.06 0.24 0.88 -0.75 4.34 4.65 2q86B1 ARG 36 HB2 -0.43 0.05 0.02 -0.04 1.90 1.50 2q86B1 ARG 36 HB3 -0.59 -0.00 -0.00 -0.04 1.80 1.17 2q86B1 ARG 36 HG2 -0.05 -0.01 0.02 -0.04 1.67 1.59 2q86B1 ARG 36 HG3 -0.06 -0.04 -0.09 -0.04 1.67 1.44 2q86B1 ARG 36 HD2 -0.02 0.01 -0.10 -0.04 3.22 3.06 2q86B1 ARG 36 HD3 0.02 0.00 -0.08 -0.04 3.22 3.12 2q86B1 GLN 37 H -0.03 0.75 0.36 -0.55 8.47 9.00 2q86B1 GLN 37 HA 0.05 0.39 1.08 -0.75 4.36 5.14 2q86B1 GLN 37 HB2 0.18 -0.06 -0.09 -0.04 2.15 2.14 2q86B1 GLN 37 HB3 0.18 -0.01 0.12 -0.04 2.02 2.27 2q86B1 GLN 37 HG2 0.05 -0.06 -0.29 -0.04 2.40 2.06 2q86B1 GLN 37 HG3 0.01 0.10 -0.12 -0.04 2.39 2.34 2q86B1 GLN 37 HE21 -0.09 0.01 -0.07 -0.04 6.97 6.78 2q86B1 GLN 37 HE22 -0.05 -0.05 -0.09 -0.04 7.69 7.46 2q86B1 ASP 38 H 0.06 0.52 0.20 -0.55 8.40 8.63 2q86B1 ASP 38 HA 0.04 0.12 0.85 -0.75 4.63 4.89 2q86B1 ASP 38 HB2 0.09 -0.02 -0.05 -0.04 2.71 2.69 2q86B1 ASP 38 HB3 0.10 0.05 0.01 -0.04 2.70 2.82 2q86B1 THR 39 H 0.06 0.18 0.15 -0.55 8.28 8.12 2q86B1 THR 39 HA 0.02 -0.02 0.42 -0.75 4.39 4.06 2q86B1 THR 39 HB 0.01 0.01 0.07 -0.04 4.32 4.37 2q86B1 THR 39 HG23 0.02 0.01 0.06 -0.04 1.22 1.28 2q86B1 GLY 40 H -0.03 0.08 0.25 -0.55 8.43 8.19 2q86B1 GLY 40 HA2 -0.11 -0.01 0.37 -0.51 4.01 3.75 2q86B1 GLY 40 HA3 -0.19 0.16 0.62 -0.51 4.01 4.08 2q86B1 HIS 41 H 0.04 0.42 -0.06 -0.55 8.41 8.27 2q86B1 HIS 41 HA 0.00 0.19 0.89 -0.75 4.63 4.96 2q86B1 HIS 41 HB2 0.01 0.06 -0.07 -0.04 3.26 3.23 2q86B1 HIS 41 HB3 0.02 -0.04 0.00 -0.04 3.20 3.13 2q86B1 HIS 41 HD2 0.01 0.07 -0.29 -0.04 6.97 6.72 2q86B1 HIS 41 HE1 0.02 -0.04 -0.05 -0.04 7.75 7.63 2q86B1 GLY 42 H 0.02 -0.07 0.13 -0.55 8.43 7.97 2q86B1 GLY 42 HA2 -0.03 -0.03 0.33 -0.51 4.01 3.77 2q86B1 GLY 42 HA3 -0.02 0.06 0.49 -0.51 4.01 4.03 2q86B1 LEU 43 H -0.06 0.10 0.22 -0.55 8.37 8.08 2q86B1 LEU 43 HA 0.05 0.35 0.99 -0.75 4.35 4.99 2q86B1 LEU 43 HB2 -0.23 -0.06 0.08 -0.04 1.64 1.39 2q86B1 LEU 43 HB3 -0.12 -0.02 -0.13 -0.04 1.64 1.32 2q86B1 LEU 43 HG -0.00 0.04 -0.23 -0.04 1.64 1.41 2q86B1 LEU 43 HD13 -0.26 -0.01 -0.23 -0.04 0.93 0.39 2q86B1 LEU 43 HD23 -0.60 -0.01 -0.13 -0.04 0.89 0.12 2q86B1 ARG 44 H 0.17 0.62 0.34 -0.55 8.46 9.04 2q86B1 ARG 44 HA 0.16 0.11 0.89 -0.75 4.34 4.74 2q86B1 ARG 44 HB2 0.05 0.02 0.08 -0.04 1.90 2.01 2q86B1 ARG 44 HB3 0.05 -0.02 -0.03 -0.04 1.80 1.76 2q86B1 ARG 44 HG2 0.08 0.00 -0.03 -0.04 1.67 1.68 2q86B1 ARG 44 HG3 0.09 0.13 -0.35 -0.04 1.67 1.50 2q86B1 ARG 44 HD2 -0.01 -0.03 -0.06 -0.04 3.22 3.09 2q86B1 ARG 44 HD3 0.06 0.01 -0.05 -0.04 3.22 3.20 2q86B1 LEU 45 H 0.13 0.15 0.15 -0.55 8.37 8.26 2q86B1 LEU 45 HA -0.29 0.17 0.60 -0.75 4.35 4.08 2q86B1 LEU 45 HB2 -0.04 0.05 0.05 -0.04 1.64 1.66 2q86B1 LEU 45 HB3 -0.00 -0.12 0.17 -0.04 1.64 1.64 2q86B1 LEU 45 HG 0.02 -0.05 -0.35 -0.04 1.64 1.22 2q86B1 LEU 45 HD13 -0.45 0.08 -0.08 -0.04 0.93 0.43 2q86B1 LEU 45 HD23 -0.14 0.00 -0.12 -0.04 0.89 0.59 2q86B1 ILE 46 H -0.03 0.76 0.45 -0.55 8.25 8.89 2q86B1 ILE 46 HA -0.14 0.05 0.55 -0.75 4.18 3.89 2q86B1 ILE 46 HB -0.08 -0.03 0.04 -0.04 1.89 1.79 2q86B1 ILE 46 HG12 -0.25 0.10 -0.12 -0.04 1.49 1.18 2q86B1 ILE 46 HG13 -0.04 -0.01 -0.06 -0.04 1.21 1.06 2q86B1 ILE 46 HG23 -0.55 0.06 -0.19 -0.04 0.93 0.21 2q86B1 ILE 46 HD13 -0.31 -0.00 -0.23 -0.04 0.88 0.29 2q86B1 HIS 47 H 0.18 0.34 0.31 -0.55 8.41 8.70 2q86B1 HIS 47 HA 0.13 0.09 0.69 -0.75 4.63 4.80 2q86B1 HIS 47 HB2 0.11 -0.05 -0.05 -0.04 3.26 3.23 2q86B1 HIS 47 HB3 0.21 0.07 0.06 -0.04 3.20 3.50 2q86B1 HIS 47 HD2 -0.03 -0.01 -0.35 -0.04 6.97 6.53 2q86B1 HIS 47 HE1 0.03 -0.03 0.01 -0.04 7.75 7.72 2q86B1 TYR 48 H 0.04 0.64 0.29 -0.55 8.29 8.70 2q86B1 TYR 48 HA 0.06 0.14 0.70 -0.75 4.56 4.71 2q86B1 TYR 48 HB2 -0.52 0.14 0.23 -0.04 3.06 2.88 2q86B1 TYR 48 HB3 0.06 -0.04 -0.09 -0.04 2.98 2.87 2q86B1 TYR 48 HD2 -0.38 -0.04 -0.31 -0.04 7.15 6.37 2q86B1 TYR 48 HE2 -0.77 0.11 -0.17 -0.04 6.85 5.97 2q86B1 SER 49 H -0.49 0.60 0.34 -0.55 8.46 8.36 2q86B1 SER 49 HA -0.46 0.01 0.71 -0.75 4.49 3.99 2q86B1 SER 49 HB2 -0.55 0.04 0.05 -0.04 3.95 3.44 2q86B1 SER 49 HB3 -1.04 -0.05 0.02 -0.04 3.93 2.81 2q86B1 TYR 50 H -0.17 0.17 0.07 -0.55 8.29 7.80 2q86B1 TYR 50 HA -0.10 0.14 0.82 -0.75 4.56 4.67 2q86B1 TYR 50 HB2 -0.04 0.01 0.03 -0.04 3.06 3.02 2q86B1 TYR 50 HB3 -0.02 0.00 0.12 -0.04 2.98 3.04 2q86B1 TYR 50 HD2 0.01 0.06 -0.09 -0.04 7.15 7.09 2q86B1 TYR 50 HE2 0.15 0.01 -0.09 -0.04 6.85 6.87 2q86B1 GLY 51 H -0.09 0.13 -0.07 -0.55 8.43 7.86 2q86B1 GLY 51 HA2 -0.02 0.14 0.38 -0.51 4.01 4.00 2q86B1 GLY 51 HA3 -0.00 0.06 0.47 -0.51 4.01 4.03 2q86B1 ALA 52 H -0.02 0.08 0.09 -0.55 8.40 8.00 2q86B1 ALA 52 HA -0.02 0.15 0.26 -0.75 4.34 3.98 2q86B1 ALA 52 HB3 -0.00 -0.01 -0.08 -0.04 1.41 1.27 2q86B1 GLY 53 H -0.00 0.72 0.32 -0.55 8.43 8.92 2q86B1 GLY 53 HA2 0.00 -0.03 0.37 -0.51 4.01 3.84 2q86B1 GLY 53 HA3 -0.01 0.11 0.63 -0.51 4.01 4.23 2q86B1 SER 54 H -0.04 0.47 0.03 -0.55 8.46 8.38 2q86B1 SER 54 HA -0.03 0.13 0.87 -0.75 4.49 4.70 2q86B1 SER 54 HB2 -0.05 0.00 0.08 -0.04 3.95 3.94 2q86B1 SER 54 HB3 -0.03 0.05 -0.23 -0.04 3.93 3.68 2q86B1 THR 55 H -0.07 0.30 0.26 -0.55 8.28 8.22 2q86B1 THR 55 HA -0.18 0.18 0.91 -0.75 4.39 4.55 2q86B1 THR 55 HB 0.11 0.09 0.07 -0.04 4.32 4.55 2q86B1 THR 55 HG23 0.14 -0.00 -0.43 -0.04 1.22 0.88 2q86B1 GLU 56 H -0.30 0.81 0.39 -0.55 8.60 8.95 2q86B1 GLU 56 HA -0.20 0.14 0.91 -0.75 4.29 4.39 2q86B1 GLU 56 HB2 -1.85 -0.07 -0.12 -0.04 2.09 0.01 2q86B1 GLU 56 HB3 -0.55 0.09 0.01 -0.04 1.99 1.50 2q86B1 GLU 56 HG2 -0.65 -0.12 -0.35 -0.04 2.34 1.18 2q86B1 GLU 56 HG3 -1.08 -0.01 -0.18 -0.04 2.34 1.03 2q86B1 LYS 57 H -0.02 0.12 0.17 -0.55 8.42 8.13 2q86B1 LYS 57 HA 0.19 0.08 0.72 -0.75 4.32 4.56 2q86B1 LYS 57 HB2 0.05 -0.04 0.16 -0.04 1.87 2.00 2q86B1 LYS 57 HB3 0.02 0.14 0.06 -0.04 1.79 1.97 2q86B1 LYS 57 HG2 0.31 0.04 0.06 -0.04 1.46 1.83 2q86B1 LYS 57 HG3 0.11 -0.06 0.06 -0.04 1.46 1.53 2q86B1 LYS 57 HD2 0.07 0.02 0.02 -0.04 1.69 1.75 2q86B1 LYS 57 HD3 0.12 -0.00 0.02 -0.04 1.68 1.77 2q86B1 LYS 57 HE2 0.05 -0.03 0.04 -0.04 2.99 3.00 2q86B1 LYS 57 HE3 0.04 0.03 0.03 -0.04 2.99 3.05 2q86B1 GLY 58 H -0.12 0.55 0.11 -0.55 8.43 8.42 2q86B1 GLY 58 HA2 0.24 0.09 0.51 -0.51 4.01 4.35 2q86B1 GLY 58 HA3 0.08 -0.07 -0.11 -0.51 4.01 3.40 2q86B1 ASP 59 H 0.02 0.26 0.15 -0.55 8.40 8.29 2q86B1 ASP 59 HA 0.03 0.11 0.56 -0.75 4.63 4.58 2q86B1 ASP 59 HB2 0.03 -0.00 0.16 -0.04 2.71 2.86 2q86B1 ASP 59 HB3 0.03 0.01 0.08 -0.04 2.70 2.77 2q86B1 ILE 60 H -0.02 0.39 0.03 -0.55 8.25 8.10 2q86B1 ILE 60 HA 0.02 0.17 0.87 -0.75 4.18 4.49 2q86B1 ILE 60 HB 0.04 0.02 0.09 -0.04 1.89 2.00 2q86B1 ILE 60 HG12 0.01 -0.06 -0.20 -0.04 1.49 1.20 2q86B1 ILE 60 HG13 -0.04 0.00 -0.08 -0.04 1.21 1.06 2q86B1 ILE 60 HG23 0.01 -0.01 -0.17 -0.04 0.93 0.72 2q86B1 ILE 60 HD13 0.00 0.01 -0.08 -0.04 0.88 0.77 2q86B1 PRO 61 HA -0.24 0.12 0.37 -0.51 4.44 4.18 2q86B1 PRO 61 HB2 -0.01 -0.00 0.04 -0.04 2.28 2.26 2q86B1 PRO 61 HB3 -0.33 -0.01 0.15 -0.04 2.02 1.79 2q86B1 PRO 61 HG2 0.02 -0.03 -0.01 -0.04 2.03 1.96 2q86B1 PRO 61 HG3 0.00 0.04 -0.01 -0.04 2.03 2.03 2q86B1 PRO 61 HD2 0.01 0.14 -0.05 -0.04 3.68 3.73 2q86B1 PRO 61 HD3 -0.03 0.25 -0.51 -0.04 3.65 3.32 2q86B1 ASP 62 H 0.07 0.08 -0.29 -0.55 8.40 7.70 2q86B1 ASP 62 HA 0.07 -0.02 0.28 -0.75 4.63 4.20 2q86B1 ASP 62 HB2 0.05 0.03 0.05 -0.04 2.71 2.80 2q86B1 ASP 62 HB3 0.02 0.00 -0.03 -0.04 2.70 2.65 2q86B1 GLY 63 H 0.01 0.10 0.19 -0.55 8.43 8.19 2q86B1 GLY 63 HA2 -0.11 -0.05 0.34 -0.51 4.01 3.68 2q86B1 GLY 63 HA3 -0.23 0.12 0.60 -0.51 4.01 3.98 2q86B1 TYR 64 H 0.18 0.53 0.01 -0.55 8.29 8.46 2q86B1 TYR 64 HA -0.02 0.24 1.07 -0.75 4.56 5.09 2q86B1 TYR 64 HB2 0.16 0.08 -0.03 -0.04 3.06 3.22 2q86B1 TYR 64 HB3 0.06 -0.01 -0.01 -0.04 2.98 2.98 2q86B1 TYR 64 HD2 -0.06 0.05 -0.29 -0.04 7.15 6.81 2q86B1 TYR 64 HE2 0.02 0.01 -0.13 -0.04 6.85 6.72 2q86B1 LYS 65 H 0.02 0.68 0.39 -0.55 8.42 8.96 2q86B1 LYS 65 HA -0.16 0.16 0.77 -0.75 4.32 4.34 2q86B1 LYS 65 HB2 -0.08 -0.03 0.05 -0.04 1.87 1.77 2q86B1 LYS 65 HB3 -0.11 0.03 0.10 -0.04 1.79 1.77 2q86B1 LYS 65 HG2 -0.03 0.03 0.04 -0.04 1.46 1.45 2q86B1 LYS 65 HG3 -0.01 -0.02 -0.29 -0.04 1.46 1.11 2q86B1 LYS 65 HD2 -0.04 -0.05 -0.08 -0.04 1.69 1.48 2q86B1 LYS 65 HD3 -0.05 0.01 -0.04 -0.04 1.68 1.56 2q86B1 LYS 65 HE2 -0.03 -0.01 -0.04 -0.04 2.99 2.88 2q86B1 LYS 65 HE3 -0.02 0.02 -0.02 -0.04 2.99 2.92 2q86B1 ALA 66 H -0.32 0.25 0.19 -0.55 8.40 7.97 2q86B1 ALA 66 HA -0.29 0.33 0.89 -0.75 4.34 4.52 2q86B1 ALA 66 HB3 -0.31 -0.00 -0.05 -0.04 1.41 1.01 2q86B1 SER 67 H -0.12 0.54 0.25 -0.55 8.46 8.59 2q86B1 SER 67 HA 0.04 0.11 0.68 -0.75 4.49 4.57 2q86B1 SER 67 HB2 -0.03 0.05 -0.24 -0.04 3.95 3.69 2q86B1 SER 67 HB3 -0.01 -0.05 0.01 -0.04 3.93 3.85 2q86B1 ARG 68 H 0.10 0.18 -0.08 -0.55 8.46 8.11 2q86B1 ARG 68 HA 0.24 0.40 1.03 -0.75 4.34 5.25 2q86B1 ARG 68 HB2 0.09 -0.02 -0.02 -0.04 1.90 1.91 2q86B1 ARG 68 HB3 0.02 0.00 0.20 -0.04 1.80 1.98 2q86B1 ARG 68 HG2 -0.10 0.12 -0.15 -0.04 1.67 1.51 2q86B1 ARG 68 HG3 0.00 -0.08 -0.00 -0.04 1.67 1.54 2q86B1 ARG 68 HD2 0.07 0.24 0.00 -0.04 3.22 3.49 2q86B1 ARG 68 HD3 -0.42 -0.12 -0.09 -0.04 3.22 2.55 2q86B1 PRO 69 HA 0.03 0.10 0.48 -0.51 4.44 4.53 2q86B1 PRO 69 HB2 0.02 0.02 0.02 -0.04 2.28 2.30 2q86B1 PRO 69 HB3 0.03 0.01 0.04 -0.04 2.02 2.06 2q86B1 PRO 69 HG2 0.05 -0.00 -0.05 -0.04 2.03 1.99 2q86B1 PRO 69 HG3 0.04 0.03 -0.05 -0.04 2.03 2.00 2q86B1 PRO 69 HD2 0.12 0.36 0.01 -0.04 3.68 4.13 2q86B1 PRO 69 HD3 0.07 0.02 -0.30 -0.04 3.65 3.40 2q86B1 SER 70 H 0.05 0.41 -0.21 -0.55 8.46 8.16 2q86B1 SER 70 HA 0.01 0.15 0.61 -0.75 4.49 4.50 2q86B1 SER 70 HB2 0.01 -0.06 0.16 -0.04 3.95 4.02 2q86B1 SER 70 HB3 0.02 0.17 -0.18 -0.04 3.93 3.90 2q86B1 GLN 71 H 0.00 0.17 0.16 -0.55 8.47 8.25 2q86B1 GLN 71 HA -0.01 0.10 0.45 -0.75 4.36 4.14 2q86B1 GLN 71 HB2 -0.00 -0.01 0.13 -0.04 2.15 2.23 2q86B1 GLN 71 HB3 -0.00 -0.05 0.12 -0.04 2.02 2.05 2q86B1 GLN 71 HG2 -0.01 -0.03 -0.09 -0.04 2.40 2.23 2q86B1 GLN 71 HG3 -0.01 0.03 -0.26 -0.04 2.39 2.11 2q86B1 GLN 71 HE21 0.01 -0.05 -0.31 -0.04 6.97 6.58 2q86B1 GLN 71 HE22 0.00 0.02 -0.29 -0.04 7.69 7.38 2q86B1 GLU 72 H 0.01 -0.02 -0.17 -0.55 8.60 7.87 2q86B1 GLU 72 HA 0.01 0.13 0.39 -0.75 4.29 4.06 2q86B1 GLU 72 HB2 0.02 -0.05 0.06 -0.04 2.09 2.07 2q86B1 GLU 72 HB3 0.01 0.04 0.11 -0.04 1.99 2.11 2q86B1 GLU 72 HG2 -0.00 0.03 0.05 -0.04 2.34 2.38 2q86B1 GLU 72 HG3 -0.01 0.03 0.04 -0.04 2.34 2.36 2q86B1 ASN 73 H 0.05 0.06 -0.25 -0.55 8.53 7.85 2q86B1 ASN 73 HA 0.11 0.46 1.09 -0.75 4.76 5.66 2q86B1 ASN 73 HB2 0.07 -0.10 0.04 -0.04 2.88 2.85 2q86B1 ASN 73 HB3 0.10 0.03 -0.05 -0.04 2.79 2.82 2q86B1 ASN 73 HD21 0.03 0.03 -0.08 -0.04 7.03 6.97 2q86B1 ASN 73 HD22 0.04 -0.04 -0.07 -0.04 7.74 7.63 2q86B1 PHE 74 H 0.25 0.58 0.32 -0.55 8.34 8.93 2q86B1 PHE 74 HA 0.10 0.26 0.91 -0.75 4.62 5.14 2q86B1 PHE 74 HB2 0.03 0.06 -0.19 -0.04 3.15 3.01 2q86B1 PHE 74 HB3 0.04 -0.05 0.05 -0.04 3.06 3.06 2q86B1 PHE 74 HD2 -0.03 0.06 -0.20 -0.04 7.28 7.07 2q86B1 PHE 74 HE2 0.08 -0.07 -0.31 -0.04 7.38 7.05 2q86B1 PHE 74 HZ 0.10 -0.03 -0.41 -0.04 7.32 6.94 2q86B1 SER 75 H 0.07 0.65 0.33 -0.55 8.46 8.97 2q86B1 SER 75 HA 0.09 0.27 1.09 -0.75 4.49 5.19 2q86B1 SER 75 HB2 -0.03 -0.04 0.09 -0.04 3.95 3.92 2q86B1 SER 75 HB3 -0.09 0.04 -0.10 -0.04 3.93 3.73 2q86B1 LEU 76 H -0.49 0.79 0.38 -0.55 8.37 8.49 2q86B1 LEU 76 HA -0.50 0.24 1.00 -0.75 4.35 4.34 2q86B1 LEU 76 HB2 -2.19 -0.03 -0.02 -0.04 1.64 -0.64 2q86B1 LEU 76 HB3 -1.35 -0.05 0.13 -0.04 1.64 0.33 2q86B1 LEU 76 HG -0.32 0.03 -0.19 -0.04 1.64 1.12 2q86B1 LEU 76 HD13 -0.23 0.04 -0.04 -0.04 0.93 0.66 2q86B1 LEU 76 HD23 -0.70 -0.01 -0.13 -0.04 0.89 0.01 2q86B1 ILE 77 H -0.19 0.76 0.26 -0.55 8.25 8.52 2q86B1 ILE 77 HA -0.17 0.26 1.06 -0.75 4.18 4.58 2q86B1 ILE 77 HB -0.10 -0.09 -0.02 -0.04 1.89 1.63 2q86B1 ILE 77 HG12 -0.10 0.02 -0.22 -0.04 1.49 1.15 2q86B1 ILE 77 HG13 -0.16 -0.11 -0.60 -0.04 1.21 0.30 2q86B1 ILE 77 HG23 -0.08 -0.01 -0.22 -0.04 0.93 0.58 2q86B1 ILE 77 HD13 -0.09 -0.01 -0.31 -0.04 0.88 0.42 2q86B1 LEU 78 H -0.13 0.91 0.31 -0.55 8.37 8.91 2q86B1 LEU 78 HA -0.15 0.27 0.93 -0.75 4.35 4.65 2q86B1 LEU 78 HB2 -0.13 -0.09 0.22 -0.04 1.64 1.60 2q86B1 LEU 78 HB3 -0.16 -0.02 -0.00 -0.04 1.64 1.41 2q86B1 LEU 78 HG -0.22 0.12 -0.09 -0.04 1.64 1.41 2q86B1 LEU 78 HD13 -0.18 -0.05 -0.34 -0.04 0.93 0.32 2q86B1 LEU 78 HD23 -0.11 -0.01 -0.10 -0.04 0.89 0.63 2q86B1 GLU 79 H -0.09 0.22 -0.01 -0.55 8.60 8.18 2q86B1 GLU 79 HA -0.06 0.04 0.36 -0.75 4.29 3.88 2q86B1 GLU 79 HB2 -0.05 0.01 0.01 -0.04 2.09 2.01 2q86B1 GLU 79 HB3 -0.04 0.02 -0.02 -0.04 1.99 1.91 2q86B1 GLU 79 HG2 -0.06 -0.05 -0.13 -0.04 2.34 2.06 2q86B1 GLU 79 HG3 -0.04 0.02 -0.06 -0.04 2.34 2.21 2q86B1 LEU 80 H -0.09 0.09 -0.25 -0.55 8.37 7.57 2q86B1 LEU 80 HA -0.04 0.29 0.57 -0.75 4.35 4.42 2q86B1 LEU 80 HB2 -0.05 -0.08 0.08 -0.04 1.64 1.55 2q86B1 LEU 80 HB3 -0.04 -0.00 0.06 -0.04 1.64 1.62 2q86B1 LEU 80 HG -0.04 -0.04 -0.41 -0.04 1.64 1.12 2q86B1 LEU 80 HD13 -0.02 -0.02 -0.03 -0.04 0.93 0.81 2q86B1 LEU 80 HD23 -0.02 0.05 0.07 -0.04 0.89 0.95 2q86B1 ALA 81 H -0.05 0.91 -0.01 -0.55 8.40 8.71 2q86B1 ALA 81 HA -0.09 0.01 0.29 -0.75 4.34 3.80 2q86B1 ALA 81 HB3 -0.03 0.01 -0.09 -0.04 1.41 1.25 2q86B1 THR 82 H -0.05 0.20 0.18 -0.55 8.28 8.07 2q86B1 THR 82 HA -0.00 0.21 0.84 -0.75 4.39 4.68 2q86B1 THR 82 HB -0.00 -0.04 0.11 -0.04 4.32 4.34 2q86B1 THR 82 HG23 -0.03 0.07 -0.07 -0.04 1.22 1.15 2q86B1 PRO 83 HA 0.06 0.20 0.50 -0.51 4.44 4.69 2q86B1 PRO 83 HB2 0.05 0.01 0.04 -0.04 2.28 2.34 2q86B1 PRO 83 HB3 0.07 0.09 0.12 -0.04 2.02 2.26 2q86B1 PRO 83 HG2 0.04 0.04 0.06 -0.04 2.03 2.13 2q86B1 PRO 83 HG3 0.06 0.05 -0.05 -0.04 2.03 2.05 2q86B1 PRO 83 HD2 0.02 0.10 0.20 -0.04 3.68 3.96 2q86B1 PRO 83 HD3 0.02 0.15 0.14 -0.04 3.65 3.92 2q86B1 SER 84 H 0.03 0.07 -0.29 -0.55 8.46 7.72 2q86B1 SER 84 HA 0.04 0.11 0.42 -0.75 4.49 4.31 2q86B1 SER 84 HB2 0.03 0.05 0.07 -0.04 3.95 4.05 2q86B1 SER 84 HB3 0.02 -0.05 0.06 -0.04 3.93 3.93 2q86B1 GLN 85 H 0.04 0.43 -0.44 -0.55 8.47 7.96 2q86B1 GLN 85 HA 0.19 0.16 0.56 -0.75 4.36 4.51 2q86B1 GLN 85 HB2 0.02 0.03 0.06 -0.04 2.15 2.22 2q86B1 GLN 85 HB3 0.15 -0.02 0.03 -0.04 2.02 2.14 2q86B1 GLN 85 HG2 -0.06 0.09 -0.09 -0.04 2.40 2.30 2q86B1 GLN 85 HG3 -0.06 -0.11 -0.12 -0.04 2.39 2.06 2q86B1 GLN 85 HE21 -0.63 0.26 0.02 -0.04 6.97 6.58 2q86B1 GLN 85 HE22 -1.28 0.05 -0.12 -0.04 7.69 6.29 2q86B1 THR 86 H 0.09 0.38 -0.25 -0.55 8.28 7.94 2q86B1 THR 86 HA 0.13 0.09 0.53 -0.75 4.39 4.39 2q86B1 THR 86 HB 0.08 0.07 0.23 -0.04 4.32 4.66 2q86B1 THR 86 HG23 0.10 0.00 0.05 -0.04 1.22 1.33 2q86B1 SER 87 H 0.14 0.46 0.46 -0.55 8.46 8.97 2q86B1 SER 87 HA -0.02 0.03 0.54 -0.75 4.49 4.30 2q86B1 SER 87 HB2 -0.08 0.21 -0.50 -0.04 3.95 3.54 2q86B1 SER 87 HB3 -0.52 -0.02 -0.22 -0.04 3.93 3.13 2q86B1 VAL 88 H -0.11 0.38 0.31 -0.55 8.24 8.27 2q86B1 VAL 88 HA -0.06 0.35 1.09 -0.75 4.13 4.75 2q86B1 VAL 88 HB 0.00 -0.03 0.19 -0.04 2.12 2.23 2q86B1 VAL 88 HG13 -0.33 -0.00 -0.15 -0.04 0.97 0.45 2q86B1 VAL 88 HG23 -0.05 -0.01 -0.02 -0.04 0.95 0.83 2q86B1 TYR 89 H 0.11 0.72 0.36 -0.55 8.29 8.93 2q86B1 TYR 89 HA 0.19 0.24 1.05 -0.75 4.56 5.29 2q86B1 TYR 89 HB2 0.10 -0.02 0.10 -0.04 3.06 3.20 2q86B1 TYR 89 HB3 0.37 0.00 -0.02 -0.04 2.98 3.28 2q86B1 TYR 89 HD2 -0.01 0.06 -0.13 -0.04 7.15 7.03 2q86B1 TYR 89 HE2 -0.06 0.05 -0.09 -0.04 6.85 6.71 2q86B1 PHE 90 H 0.56 0.63 0.25 -0.55 8.34 9.23 2q86B1 PHE 90 HA 0.21 0.08 0.95 -0.75 4.62 5.11 2q86B1 PHE 90 HB2 0.25 -0.06 -0.01 -0.04 3.15 3.28 2q86B1 PHE 90 HB3 0.34 0.07 -0.09 -0.04 3.06 3.34 2q86B1 PHE 90 HD2 0.07 0.07 -0.19 -0.04 7.28 7.18 2q86B1 PHE 90 HE2 -0.04 0.06 -0.19 -0.04 7.38 7.17 2q86B1 PHE 90 HZ -0.06 0.02 -0.09 -0.04 7.32 7.15 2q86B1 CYS 91 H -0.07 0.08 0.16 -0.55 8.50 8.13 2q86B1 CYS 91 HA -0.44 0.38 1.18 -0.75 4.58 4.95 2q86B1 CYS 91 HB2 -1.12 0.10 0.15 -0.04 2.97 2.06 2q86B1 CYS 91 HB3 -2.93 -0.00 0.00 -0.04 2.97 0.00 2q86B1 ALA 92 H -0.07 0.54 0.37 -0.55 8.40 8.70 2q86B1 ALA 92 HA -0.08 0.29 0.83 -0.75 4.34 4.62 2q86B1 ALA 92 HB3 -0.40 -0.02 -0.21 -0.04 1.41 0.74 2q86B1 SER 93 H 0.08 0.56 0.35 -0.55 8.46 8.90 2q86B1 SER 93 HA 0.13 0.33 1.01 -0.75 4.49 5.21 2q86B1 SER 93 HB2 0.22 0.07 0.12 -0.04 3.95 4.32 2q86B1 SER 93 HB3 0.10 -0.02 0.04 -0.04 3.93 4.01 2q86B1 GLY 94 H 0.13 0.61 0.21 -0.55 8.43 8.84 2q86B1 GLY 94 HA2 -0.05 0.31 0.90 -0.51 4.01 4.66 2q86B1 GLY 94 HA3 0.12 -0.00 0.15 -0.51 4.01 3.76 2q86B1 GLY 95 H -0.34 0.45 0.14 -0.55 8.43 8.13 2q86B1 GLY 95 HA2 -0.13 0.06 0.72 -0.51 4.01 4.16 2q86B1 GLY 95 HA3 -0.28 0.09 0.37 -0.51 4.01 3.69 2q86B1 GLY 96 H -0.05 0.16 0.07 -0.55 8.43 8.07 2q86B1 GLY 96 HA2 -0.04 0.05 0.31 -0.51 4.01 3.82 2q86B1 GLY 96 HA3 -0.03 0.08 0.28 -0.51 4.01 3.83 2q86B1 GLY 97 H -0.05 0.05 -0.45 -0.55 8.43 7.43 2q86B1 GLY 97 HA2 -0.06 -0.01 0.23 -0.51 4.01 3.66 2q86B1 GLY 97 HA3 -0.06 0.19 0.70 -0.51 4.01 4.34 2q86B1 THR 98 H -0.09 0.23 -0.24 -0.55 8.28 7.63 2q86B1 THR 98 HA -0.19 0.03 0.46 -0.75 4.39 3.94 2q86B1 THR 98 HB -0.17 0.02 0.05 -0.04 4.32 4.17 2q86B1 THR 98 HG23 -0.53 0.01 -0.11 -0.04 1.22 0.55 2q86B1 LEU 99 H -0.30 0.14 0.18 -0.55 8.37 7.84 2q86B1 LEU 99 HA -0.31 0.24 0.79 -0.75 4.35 4.31 2q86B1 LEU 99 HB2 -0.33 -0.03 0.08 -0.04 1.64 1.32 2q86B1 LEU 99 HB3 -0.96 -0.00 -0.12 -0.04 1.64 0.51 2q86B1 LEU 99 HG -0.30 0.08 -0.12 -0.04 1.64 1.26 2q86B1 LEU 99 HD13 -0.22 -0.01 -0.09 -0.04 0.93 0.57 2q86B1 LEU 99 HD23 -0.62 0.00 -0.23 -0.04 0.89 0.00 2q86B1 TYR 100 H -0.09 0.71 0.28 -0.55 8.29 8.64 2q86B1 TYR 100 HA -0.01 0.12 0.84 -0.75 4.56 4.76 2q86B1 TYR 100 HB2 0.06 -0.07 0.16 -0.04 3.06 3.17 2q86B1 TYR 100 HB3 0.05 0.05 0.00 -0.04 2.98 3.03 2q86B1 TYR 100 HD2 0.02 0.04 -0.07 -0.04 7.15 7.10 2q86B1 TYR 100 HE2 -0.03 -0.01 -0.05 -0.04 6.85 6.71 2q86B1 PHE 101 H 0.25 0.16 0.11 -0.55 8.34 8.31 2q86B1 PHE 101 HA 0.07 0.14 0.72 -0.75 4.62 4.79 2q86B1 PHE 101 HB2 -0.03 -0.03 0.09 -0.04 3.15 3.14 2q86B1 PHE 101 HB3 0.05 0.20 0.04 -0.04 3.06 3.31 2q86B1 PHE 101 HD2 -0.07 0.04 -0.12 -0.04 7.28 7.09 2q86B1 PHE 101 HE2 -0.35 -0.01 -0.14 -0.04 7.38 6.84 2q86B1 PHE 101 HZ -0.45 -0.01 -0.11 -0.04 7.32 6.70 2q86B1 GLY 102 H 0.23 0.71 0.35 -0.55 8.43 9.17 2q86B1 GLY 102 HA2 0.12 0.32 0.70 -0.51 4.01 4.64 2q86B1 GLY 102 HA3 0.11 -0.12 0.35 -0.51 4.01 3.84 2q86B1 ALA 103 H 0.09 0.10 0.24 -0.55 8.40 8.29 2q86B1 ALA 103 HA 0.16 0.13 0.47 -0.75 4.34 4.35 2q86B1 ALA 103 HB3 0.05 0.01 0.18 -0.04 1.41 1.61 2q86B1 GLY 104 H 0.01 -0.12 -0.20 -0.55 8.43 7.57 2q86B1 GLY 104 HA2 -0.76 0.17 0.43 -0.51 4.01 3.34 2q86B1 GLY 104 HA3 -0.56 0.17 0.76 -0.51 4.01 3.86 2q86B1 THR 105 H -0.22 0.41 0.31 -0.55 8.28 8.23 2q86B1 THR 105 HA -0.10 0.37 0.94 -0.75 4.39 4.86 2q86B1 THR 105 HB 0.13 -0.13 0.09 -0.04 4.32 4.37 2q86B1 THR 105 HG23 -0.05 -0.03 -0.44 -0.04 1.22 0.65 2q86B1 ARG 106 H -0.22 0.58 0.27 -0.55 8.46 8.53 2q86B1 ARG 106 HA -0.14 0.18 1.01 -0.75 4.34 4.64 2q86B1 ARG 106 HB2 -0.66 -0.04 0.23 -0.04 1.90 1.39 2q86B1 ARG 106 HB3 -0.77 -0.01 -0.00 -0.04 1.80 0.98 2q86B1 ARG 106 HG2 -0.18 0.00 0.02 -0.04 1.67 1.47 2q86B1 ARG 106 HG3 -0.22 0.02 0.01 -0.04 1.67 1.44 2q86B1 ARG 106 HD2 -0.19 -0.02 -0.02 -0.04 3.22 2.95 2q86B1 ARG 106 HD3 -0.11 0.02 0.02 -0.04 3.22 3.11 2q86B1 LEU 107 H 0.05 0.71 0.40 -0.55 8.37 8.98 2q86B1 LEU 107 HA 0.04 0.28 1.01 -0.75 4.35 4.93 2q86B1 LEU 107 HB2 -0.01 -0.02 -0.14 -0.04 1.64 1.43 2q86B1 LEU 107 HB3 0.29 0.07 0.13 -0.04 1.64 2.09 2q86B1 LEU 107 HG 0.09 -0.08 -0.48 -0.04 1.64 1.12 2q86B1 LEU 107 HD13 -0.01 0.02 -0.22 -0.04 0.93 0.68 2q86B1 LEU 107 HD23 -0.06 0.03 -0.18 -0.04 0.89 0.64 2q86B1 SER 108 H 0.20 0.65 0.31 -0.55 8.46 9.07 2q86B1 SER 108 HA 0.11 0.13 0.92 -0.75 4.49 4.90 2q86B1 SER 108 HB2 -0.07 0.03 0.17 -0.04 3.95 4.04 2q86B1 SER 108 HB3 -0.05 -0.01 -0.05 -0.04 3.93 3.79 2q86B1 VAL 109 H 0.08 0.23 0.06 -0.55 8.24 8.06 2q86B1 VAL 109 HA 0.04 0.22 0.72 -0.75 4.13 4.36 2q86B1 VAL 109 HB 0.05 -0.03 -0.16 -0.04 2.12 1.94 2q86B1 VAL 109 HG13 0.02 -0.02 -0.70 -0.04 0.97 0.23 2q86B1 VAL 109 HG23 0.04 0.01 -0.35 -0.04 0.95 0.60 2q86B1 LEU 110 H 0.06 0.74 0.24 -0.55 8.37 8.87 2q86B1 LEU 110 HA 0.14 0.16 0.78 -0.75 4.35 4.67 2q86B1 LEU 110 HB2 0.12 0.03 -0.10 -0.04 1.64 1.64 2q86B1 LEU 110 HB3 0.20 -0.05 0.11 -0.04 1.64 1.85 2q86B1 LEU 110 HG 0.05 0.05 -0.23 -0.04 1.64 1.48 2q86B1 LEU 110 HD13 0.17 0.00 -0.08 -0.04 0.93 0.98 2q86B1 LEU 110 HD23 0.16 0.01 -0.18 -0.04 0.89 0.84 2q86B1 GLU 111 H 0.12 0.15 0.20 -0.55 8.60 8.52 2q86B1 GLU 111 HA 0.05 0.09 0.66 -0.75 4.29 4.34 2q86B1 GLU 111 HB2 0.08 0.01 0.16 -0.04 2.09 2.29 2q86B1 GLU 111 HB3 0.05 -0.00 0.10 -0.04 1.99 2.10 2q86B1 GLU 111 HG2 0.04 0.00 0.04 -0.04 2.34 2.38 2q86B1 GLU 111 HG3 0.03 0.02 0.05 -0.04 2.34 2.40 2q86B1 ASP 112 H 0.07 0.16 0.12 -0.55 8.40 8.20 2q86B1 ASP 112 HA 0.05 0.19 0.42 -0.75 4.63 4.53 2q86B1 ASP 112 HB2 0.00 -0.02 0.17 -0.04 2.71 2.82 2q86B1 ASP 112 HB3 0.01 0.16 0.02 -0.04 2.70 2.84 2q86B1 LEU 113 H 0.08 0.22 0.11 -0.55 8.37 8.24 2q86B1 LEU 113 HA 0.18 0.16 0.57 -0.75 4.35 4.51 2q86B1 LEU 113 HB2 0.23 0.07 0.08 -0.04 1.64 1.99 2q86B1 LEU 113 HB3 0.32 0.08 0.13 -0.04 1.64 2.13 2q86B1 LEU 113 HG 0.11 -0.07 -0.09 -0.04 1.64 1.55 2q86B1 LEU 113 HD13 0.13 0.03 -0.02 -0.04 0.93 1.03 2q86B1 LEU 113 HD23 0.10 0.01 -0.26 -0.04 0.89 0.69 2q86B1 ARG 114 H 0.05 -0.00 -0.28 -0.55 8.46 7.67 2q86B1 ARG 114 HA 0.06 0.17 0.33 -0.75 4.34 4.14 2q86B1 ARG 114 HB2 -0.07 -0.03 -0.01 -0.04 1.90 1.75 2q86B1 ARG 114 HB3 -0.10 0.06 0.05 -0.04 1.80 1.76 2q86B1 ARG 114 HG2 -0.19 0.04 -0.00 -0.04 1.67 1.48 2q86B1 ARG 114 HG3 -0.06 -0.11 0.03 -0.04 1.67 1.49 2q86B1 ARG 114 HD2 -0.18 0.05 -0.00 -0.04 3.22 3.05 2q86B1 ARG 114 HD3 -0.14 0.01 0.00 -0.04 3.22 3.06 2q86B1 ASN 115 H 0.06 0.02 -0.29 -0.55 8.53 7.77 2q86B1 ASN 115 HA 0.01 0.19 0.68 -0.75 4.76 4.88 2q86B1 ASN 115 HB2 -0.16 -0.04 -0.01 -0.04 2.88 2.63 2q86B1 ASN 115 HB3 -0.40 0.07 0.07 -0.04 2.79 2.50 2q86B1 ASN 115 HD21 -0.71 -0.02 -0.04 -0.04 7.03 6.22 2q86B1 ASN 115 HD22 -0.46 -0.01 -0.01 -0.04 7.74 7.22 2q86B1 VAL 116 H 0.32 0.20 -0.32 -0.55 8.24 7.88 2q86B1 VAL 116 HA 0.42 0.14 0.36 -0.75 4.13 4.29 2q86B1 VAL 116 HB 0.19 0.07 0.16 -0.04 2.12 2.51 2q86B1 VAL 116 HG13 0.20 0.01 0.03 -0.04 0.97 1.16 2q86B1 VAL 116 HG23 0.17 -0.07 0.01 -0.04 0.95 1.02 2q86B1 THR 117 H 0.28 0.54 0.42 -0.55 8.28 8.97 2q86B1 THR 117 HA -0.03 0.10 0.79 -0.75 4.39 4.50 2q86B1 THR 117 HB 0.12 0.04 -0.28 -0.04 4.32 4.16 2q86B1 THR 117 HG23 0.14 -0.00 0.10 -0.04 1.22 1.42 2q86B1 PRO 118 HA -1.82 0.07 0.49 -0.51 4.44 2.66 2q86B1 PRO 118 HB2 -0.32 0.08 -0.00 -0.04 2.28 2.00 2q86B1 PRO 118 HB3 -0.48 0.03 0.01 -0.04 2.02 1.54 2q86B1 PRO 118 HG2 -0.16 0.03 -0.03 -0.04 2.03 1.82 2q86B1 PRO 118 HG3 -0.16 0.02 0.00 -0.04 2.03 1.84 2q86B1 PRO 118 HD2 -0.12 0.09 0.19 -0.04 3.68 3.81 2q86B1 PRO 118 HD3 -0.19 0.12 0.15 -0.04 3.65 3.68 2q86B1 PRO 119 HA 0.13 0.26 0.38 -0.51 4.44 4.69 2q86B1 PRO 119 HB2 -0.01 -0.01 -0.20 -0.04 2.28 2.02 2q86B1 PRO 119 HB3 -0.07 -0.04 -0.12 -0.04 2.02 1.75 2q86B1 PRO 119 HG2 -0.13 0.01 -0.08 -0.04 2.03 1.79 2q86B1 PRO 119 HG3 -0.27 -0.01 -0.11 -0.04 2.03 1.60 2q86B1 PRO 119 HD2 -0.33 0.10 0.12 -0.04 3.68 3.52 2q86B1 PRO 119 HD3 -0.49 0.11 0.07 -0.04 3.65 3.31 2q86B1 LYS 120 H 0.09 0.66 0.33 -0.55 8.42 8.93 2q86B1 LYS 120 HA -0.00 0.12 0.73 -0.75 4.32 4.41 2q86B1 LYS 120 HB2 0.06 -0.09 0.16 -0.04 1.87 1.96 2q86B1 LYS 120 HB3 0.03 -0.02 0.01 -0.04 1.79 1.77 2q86B1 LYS 120 HG2 0.03 0.13 -0.04 -0.04 1.46 1.54 2q86B1 LYS 120 HG3 0.04 -0.06 -0.01 -0.04 1.46 1.38 2q86B1 LYS 120 HD2 0.01 -0.05 0.01 -0.04 1.69 1.62 2q86B1 LYS 120 HD3 0.00 0.06 0.01 -0.04 1.68 1.71 2q86B1 LYS 120 HE2 0.01 0.09 -0.03 -0.04 2.99 3.01 2q86B1 LYS 120 HE3 0.02 -0.05 -0.02 -0.04 2.99 2.90 2q86B1 VAL 121 H -0.01 0.22 0.05 -0.55 8.24 7.95 2q86B1 VAL 121 HA 0.03 0.30 1.04 -0.75 4.13 4.74 2q86B1 VAL 121 HB -0.04 0.01 -0.23 -0.04 2.12 1.81 2q86B1 VAL 121 HG13 -0.07 -0.01 -0.29 -0.04 0.97 0.56 2q86B1 VAL 121 HG23 -0.05 0.04 -0.31 -0.04 0.95 0.58 2q86B1 SER 122 H 0.08 0.66 0.32 -0.55 8.46 8.98 2q86B1 SER 122 HA -0.03 0.16 0.92 -0.75 4.49 4.78 2q86B1 SER 122 HB2 0.28 -0.02 0.08 -0.04 3.95 4.25 2q86B1 SER 122 HB3 -0.26 0.01 -0.04 -0.04 3.93 3.60 2q86B1 LEU 123 H -0.07 0.22 0.15 -0.55 8.37 8.12 2q86B1 LEU 123 HA 0.17 0.23 1.01 -0.75 4.35 5.01 2q86B1 LEU 123 HB2 0.03 -0.05 -0.16 -0.04 1.64 1.42 2q86B1 LEU 123 HB3 0.04 0.02 -0.00 -0.04 1.64 1.66 2q86B1 LEU 123 HG 0.15 0.01 -0.37 -0.04 1.64 1.39 2q86B1 LEU 123 HD13 0.35 0.02 -0.20 -0.04 0.93 1.06 2q86B1 LEU 123 HD23 0.17 -0.01 -0.36 -0.04 0.89 0.65 2q86B1 PHE 124 H 0.40 0.86 0.35 -0.55 8.34 9.40 2q86B1 PHE 124 HA 0.03 0.10 0.83 -0.75 4.62 4.82 2q86B1 PHE 124 HB2 0.02 -0.02 0.18 -0.04 3.15 3.29 2q86B1 PHE 124 HB3 -0.00 0.04 0.02 -0.04 3.06 3.08 2q86B1 PHE 124 HD2 0.03 0.08 -0.09 -0.04 7.28 7.25 2q86B1 PHE 124 HE2 0.03 -0.00 -0.07 -0.04 7.38 7.29 2q86B1 PHE 124 HZ 0.02 0.00 -0.07 -0.04 7.32 7.23 2q86B1 GLU 125 H 0.06 0.10 0.16 -0.55 8.60 8.38 2q86B1 GLU 125 HA -0.17 0.11 0.47 -0.75 4.29 3.95 2q86B1 GLU 125 HB2 0.08 -0.04 0.10 -0.04 2.09 2.19 2q86B1 GLU 125 HB3 0.08 0.08 0.06 -0.04 1.99 2.16 2q86B1 GLU 125 HG2 0.19 0.01 -0.08 -0.04 2.34 2.42 2q86B1 GLU 125 HG3 0.08 -0.01 -0.06 -0.04 2.34 2.31 2q86B1 PRO 126 HA -0.27 0.19 0.45 -0.51 4.44 4.30 2q86B1 PRO 126 HB2 -0.67 0.03 -0.09 -0.04 2.28 1.51 2q86B1 PRO 126 HB3 -0.53 -0.17 0.07 -0.04 2.02 1.35 2q86B1 PRO 126 HG2 -2.49 0.04 -0.08 -0.04 2.03 -0.54 2q86B1 PRO 126 HG3 -0.97 0.03 -0.35 -0.04 2.03 0.71 2q86B1 PRO 126 HD2 -1.25 0.11 0.10 -0.04 3.68 2.61 2q86B1 PRO 126 HD3 -0.95 0.12 0.13 -0.04 3.65 2.91 2q86B1 SER 127 H -0.13 0.10 0.24 -0.55 8.46 8.12 2q86B1 SER 127 HA -0.02 0.17 0.68 -0.75 4.49 4.57 2q86B1 SER 127 HB2 -0.03 0.16 0.17 -0.04 3.95 4.21 2q86B1 SER 127 HB3 -0.05 -0.02 0.23 -0.04 3.93 4.04 2q86B1 LYS 128 H 0.03 0.23 0.21 -0.55 8.42 8.33 2q86B1 LYS 128 HA 0.07 0.15 0.50 -0.75 4.32 4.29 2q86B1 LYS 128 HB2 0.05 -0.02 0.12 -0.04 1.87 1.98 2q86B1 LYS 128 HB3 0.08 0.03 0.06 -0.04 1.79 1.92 2q86B1 LYS 128 HG2 0.14 0.07 0.03 -0.04 1.46 1.66 2q86B1 LYS 128 HG3 0.09 0.04 0.09 -0.04 1.46 1.63 2q86B1 LYS 128 HD2 0.06 -0.03 0.04 -0.04 1.69 1.72 2q86B1 LYS 128 HD3 0.08 0.01 0.02 -0.04 1.68 1.74 2q86B1 LYS 128 HE2 0.07 -0.01 0.01 -0.04 2.99 3.02 2q86B1 LYS 128 HE3 0.12 0.05 -0.00 -0.04 2.99 3.12 2q86B1 ALA 129 H 0.01 0.08 -0.12 -0.55 8.40 7.82 2q86B1 ALA 129 HA 0.02 0.13 0.49 -0.75 4.34 4.23 2q86B1 ALA 129 HB3 0.00 0.03 0.06 -0.04 1.41 1.46 2q86B1 GLU 130 H -0.02 0.06 -0.17 -0.55 8.60 7.92 2q86B1 GLU 130 HA -0.02 0.07 0.50 -0.75 4.29 4.08 2q86B1 GLU 130 HB2 -0.06 -0.05 0.14 -0.04 2.09 2.08 2q86B1 GLU 130 HB3 -0.08 0.13 0.18 -0.04 1.99 2.18 2q86B1 GLU 130 HG2 -0.06 0.06 -0.11 -0.04 2.34 2.19 2q86B1 GLU 130 HG3 -0.05 -0.00 0.01 -0.04 2.34 2.25 2q86B1 ILE 131 H -0.02 0.38 -0.18 -0.55 8.25 7.88 2q86B1 ILE 131 HA -0.01 0.04 0.42 -0.75 4.18 3.87 2q86B1 ILE 131 HB 0.08 0.08 0.15 -0.04 1.89 2.16 2q86B1 ILE 131 HG12 -0.10 -0.08 -0.14 -0.04 1.49 1.13 2q86B1 ILE 131 HG13 -0.11 0.02 0.05 -0.04 1.21 1.12 2q86B1 ILE 131 HG23 0.18 -0.02 -0.13 -0.04 0.93 0.92 2q86B1 ILE 131 HD13 -0.02 -0.00 -0.16 -0.04 0.88 0.66 2q86B1 ALA 132 H 0.04 0.53 -0.11 -0.55 8.40 8.32 2q86B1 ALA 132 HA 0.07 0.04 0.43 -0.75 4.34 4.12 2q86B1 ALA 132 HB3 0.04 -0.01 0.11 -0.04 1.41 1.51 2q86B1 ASN 133 H 0.02 0.46 -0.14 -0.55 8.53 8.32 2q86B1 ASN 133 HA 0.01 0.12 0.56 -0.75 4.76 4.70 2q86B1 ASN 133 HB2 0.00 0.04 0.12 -0.04 2.88 3.00 2q86B1 ASN 133 HB3 0.00 -0.04 0.05 -0.04 2.79 2.76 2q86B1 ASN 133 HD21 0.01 -0.06 0.00 -0.04 7.03 6.94 2q86B1 ASN 133 HD22 0.00 -0.03 -0.03 -0.04 7.74 7.64 2q86B1 LYS 134 H 0.00 0.52 0.06 -0.55 8.42 8.45 2q86B1 LYS 134 HA 0.00 0.21 0.93 -0.75 4.32 4.71 2q86B1 LYS 134 HB2 -0.02 0.10 0.11 -0.04 1.87 2.02 2q86B1 LYS 134 HB3 -0.02 -0.05 0.05 -0.04 1.79 1.73 2q86B1 LYS 134 HG2 -0.01 0.03 -0.03 -0.04 1.46 1.41 2q86B1 LYS 134 HG3 -0.01 -0.05 -0.32 -0.04 1.46 1.04 2q86B1 LYS 134 HD2 -0.02 -0.04 -0.02 -0.04 1.69 1.56 2q86B1 LYS 134 HD3 -0.03 -0.02 -0.03 -0.04 1.68 1.56 2q86B1 LYS 134 HE2 -0.02 0.01 -0.03 -0.04 2.99 2.91 2q86B1 LYS 134 HE3 -0.01 0.01 -0.06 -0.04 2.99 2.89 2q86B1 GLN 135 H 0.02 0.34 -0.01 -0.55 8.47 8.28 2q86B1 GLN 135 HA 0.04 0.16 0.42 -0.75 4.36 4.23 2q86B1 GLN 135 HB2 0.02 0.19 0.07 -0.04 2.15 2.39 2q86B1 GLN 135 HB3 0.04 -0.17 0.27 -0.04 2.02 2.12 2q86B1 GLN 135 HG2 0.04 -0.06 -0.01 -0.04 2.40 2.33 2q86B1 GLN 135 HG3 0.05 0.08 0.03 -0.04 2.39 2.52 2q86B1 GLN 135 HE21 0.02 0.07 -0.13 -0.04 6.97 6.89 2q86B1 GLN 135 HE22 0.04 0.06 -0.03 -0.04 7.69 7.71 2q86B1 LYS 136 H -0.02 0.29 -0.13 -0.55 8.42 8.00 2q86B1 LYS 136 HA -0.03 0.08 0.78 -0.75 4.32 4.41 2q86B1 LYS 136 HB2 -0.05 -0.04 -0.16 -0.04 1.87 1.59 2q86B1 LYS 136 HB3 -0.07 -0.01 -0.09 -0.04 1.79 1.59 2q86B1 LYS 136 HG2 -0.02 -0.02 -0.07 -0.04 1.46 1.30 2q86B1 LYS 136 HG3 -0.02 0.24 -0.45 -0.04 1.46 1.20 2q86B1 LYS 136 HD2 -0.03 -0.02 -0.10 -0.04 1.69 1.50 2q86B1 LYS 136 HD3 -0.05 -0.03 -0.11 -0.04 1.68 1.45 2q86B1 LYS 136 HE2 -0.02 -0.04 -0.05 -0.04 2.99 2.84 2q86B1 LYS 136 HE3 -0.02 0.10 -0.04 -0.04 2.99 3.00 2q86B1 ALA 137 H -0.11 0.72 0.17 -0.55 8.40 8.63 2q86B1 ALA 137 HA -0.25 0.08 0.83 -0.75 4.34 4.25 2q86B1 ALA 137 HB3 -0.41 0.01 -0.11 -0.04 1.41 0.86 2q86B1 THR 138 H -0.24 0.12 0.13 -0.55 8.28 7.74 2q86B1 THR 138 HA -0.24 0.30 1.04 -0.75 4.39 4.74 2q86B1 THR 138 HB -0.14 -0.08 0.10 -0.04 4.32 4.16 2q86B1 THR 138 HG23 -0.12 0.02 -0.22 -0.04 1.22 0.86 2q86B1 LEU 139 H -0.34 0.77 0.38 -0.55 8.37 8.63 2q86B1 LEU 139 HA -0.19 0.24 0.80 -0.75 4.35 4.44 2q86B1 LEU 139 HB2 -0.40 -0.04 0.11 -0.04 1.64 1.26 2q86B1 LEU 139 HB3 0.08 0.02 -0.06 -0.04 1.64 1.64 2q86B1 LEU 139 HG -0.59 0.03 -0.06 -0.04 1.64 0.97 2q86B1 LEU 139 HD13 -0.60 -0.03 -0.17 -0.04 0.93 0.10 2q86B1 LEU 139 HD23 -0.17 -0.00 -0.14 -0.04 0.89 0.53 2q86B1 VAL 140 H 0.15 0.55 0.26 -0.55 8.24 8.65 2q86B1 VAL 140 HA 0.23 0.27 1.18 -0.75 4.13 5.06 2q86B1 VAL 140 HB 0.04 -0.05 0.09 -0.04 2.12 2.16 2q86B1 VAL 140 HG13 0.00 0.00 -0.14 -0.04 0.97 0.79 2q86B1 VAL 140 HG23 -0.03 -0.00 -0.21 -0.04 0.95 0.67 2q86B1 CYS 141 H 0.43 0.66 0.33 -0.55 8.50 9.37 2q86B1 CYS 141 HA 0.17 0.31 1.13 -0.75 4.58 5.44 2q86B1 CYS 141 HB2 -0.48 -0.05 -0.06 -0.04 2.97 2.34 2q86B1 CYS 141 HB3 -0.08 -0.04 0.05 -0.04 2.97 2.86 2q86B1 LEU 142 H 0.18 0.67 0.34 -0.55 8.37 9.02 2q86B1 LEU 142 HA 0.11 0.22 1.06 -0.75 4.35 4.99 2q86B1 LEU 142 HB2 0.05 -0.03 -0.13 -0.04 1.64 1.49 2q86B1 LEU 142 HB3 0.31 -0.02 0.13 -0.04 1.64 2.02 2q86B1 LEU 142 HG 0.13 -0.00 -0.20 -0.04 1.64 1.52 2q86B1 LEU 142 HD13 0.06 0.03 -0.04 -0.04 0.93 0.94 2q86B1 LEU 142 HD23 -0.02 -0.01 -0.07 -0.04 0.89 0.74 2q86B1 ALA 143 H 0.15 0.71 0.34 -0.55 8.40 9.05 2q86B1 ALA 143 HA 0.10 0.32 0.95 -0.75 4.34 4.96 2q86B1 ALA 143 HB3 0.05 -0.02 -0.00 -0.04 1.41 1.40 2q86B1 ARG 144 H 0.17 0.64 0.34 -0.55 8.46 9.06 2q86B1 ARG 144 HA 0.19 0.19 1.15 -0.75 4.34 5.11 2q86B1 ARG 144 HB2 0.10 0.02 0.02 -0.04 1.90 2.00 2q86B1 ARG 144 HB3 0.08 -0.02 0.06 -0.04 1.80 1.88 2q86B1 ARG 144 HG2 0.10 0.01 -0.14 -0.04 1.67 1.60 2q86B1 ARG 144 HG3 0.13 -0.00 -0.31 -0.04 1.67 1.44 2q86B1 ARG 144 HD2 0.09 -0.02 -0.09 -0.04 3.22 3.16 2q86B1 ARG 144 HD3 0.09 0.02 -0.07 -0.04 3.22 3.21 2q86B1 GLY 145 H 0.02 0.24 0.19 -0.55 8.43 8.34 2q86B1 GLY 145 HA2 0.03 -0.05 0.31 -0.51 4.01 3.79 2q86B1 GLY 145 HA3 0.07 0.06 0.29 -0.51 4.01 3.93 2q86B1 PHE 146 H -0.08 0.20 -0.12 -0.55 8.34 7.80 2q86B1 PHE 146 HA 0.03 0.48 0.86 -0.75 4.62 5.22 2q86B1 PHE 146 HB2 0.00 0.13 -0.03 -0.04 3.15 3.21 2q86B1 PHE 146 HB3 -0.08 -0.06 -0.40 -0.04 3.06 2.47 2q86B1 PHE 146 HD2 0.14 0.12 -0.36 -0.04 7.28 7.14 2q86B1 PHE 146 HE2 0.06 -0.01 -0.25 -0.04 7.38 7.14 2q86B1 PHE 146 HZ 0.12 -0.03 -0.36 -0.04 7.32 7.01 2q86B1 PHE 147 H 0.40 0.68 0.30 -0.55 8.34 9.17 2q86B1 PHE 147 HA 0.36 -0.11 0.42 -0.75 4.62 4.54 2q86B1 PHE 147 HB2 0.20 0.15 -0.31 -0.04 3.15 3.15 2q86B1 PHE 147 HB3 0.18 0.22 0.04 -0.04 3.06 3.46 2q86B1 PHE 147 HD2 0.28 0.02 -0.37 -0.04 7.28 7.17 2q86B1 PHE 147 HE2 0.21 -0.03 -0.05 -0.04 7.38 7.47 2q86B1 PHE 147 HZ 0.26 -0.05 -0.02 -0.04 7.32 7.47 2q86B1 PRO 148 HA -0.80 0.09 0.25 -0.51 4.44 3.48 2q86B1 PRO 148 HB2 -0.58 -0.05 0.07 -0.04 2.28 1.68 2q86B1 PRO 148 HB3 -0.82 0.03 0.07 -0.04 2.02 1.26 2q86B1 PRO 148 HG2 -0.84 0.01 -0.05 -0.04 2.03 1.10 2q86B1 PRO 148 HG3 -0.58 0.03 0.04 -0.04 2.03 1.47 2q86B1 PRO 148 HD2 -0.11 0.22 0.46 -0.04 3.68 4.21 2q86B1 PRO 148 HD3 -0.27 0.04 0.09 -0.04 3.65 3.47 2q86B1 ASP 149 H -0.42 0.14 0.00 -0.55 8.40 7.57 2q86B1 ASP 149 HA 0.16 0.30 0.77 -0.75 4.63 5.11 2q86B1 ASP 149 HB2 -0.15 -0.01 0.07 -0.04 2.71 2.58 2q86B1 ASP 149 HB3 -1.83 0.00 -0.07 -0.04 2.70 0.75 2q86B1 HIS 150 H -0.08 0.30 -0.52 -0.55 8.41 7.56 2q86B1 HIS 150 HA -0.06 0.15 0.70 -0.75 4.63 4.67 2q86B1 HIS 150 HB2 -0.17 0.20 0.20 -0.04 3.26 3.45 2q86B1 HIS 150 HB3 -0.12 -0.02 0.08 -0.04 3.20 3.10 2q86B1 HIS 150 HD2 -0.11 -0.03 -0.45 -0.04 6.97 6.33 2q86B1 HIS 150 HE1 -0.07 0.08 -0.10 -0.04 7.75 7.61 2q86B1 VAL 151 H 0.06 0.38 0.06 -0.55 8.24 8.20 2q86B1 VAL 151 HA 0.03 0.42 1.08 -0.75 4.13 4.91 2q86B1 VAL 151 HB -0.18 -0.04 -0.15 -0.04 2.12 1.71 2q86B1 VAL 151 HG13 -0.39 -0.02 -0.30 -0.04 0.97 0.22 2q86B1 VAL 151 HG23 -0.09 -0.01 -0.22 -0.04 0.95 0.60 2q86B1 GLU 152 H -0.00 0.48 0.25 -0.55 8.60 8.79 2q86B1 GLU 152 HA 0.03 0.17 0.78 -0.75 4.29 4.52 2q86B1 GLU 152 HB2 0.09 -0.06 0.10 -0.04 2.09 2.18 2q86B1 GLU 152 HB3 0.07 0.02 -0.06 -0.04 1.99 1.98 2q86B1 GLU 152 HG2 0.07 -0.01 -0.01 -0.04 2.34 2.34 2q86B1 GLU 152 HG3 0.05 0.16 0.03 -0.04 2.34 2.55 2q86B1 LEU 153 H 0.02 0.22 0.11 -0.55 8.37 8.17 2q86B1 LEU 153 HA -0.05 0.33 1.05 -0.75 4.35 4.93 2q86B1 LEU 153 HB2 -0.03 -0.04 -0.08 -0.04 1.64 1.45 2q86B1 LEU 153 HB3 0.01 -0.01 0.03 -0.04 1.64 1.63 2q86B1 LEU 153 HG -0.21 0.10 -0.10 -0.04 1.64 1.39 2q86B1 LEU 153 HD13 -0.05 -0.02 -0.27 -0.04 0.93 0.55 2q86B1 LEU 153 HD23 -0.31 -0.01 -0.36 -0.04 0.89 0.16 2q86B1 SER 154 H -0.04 0.71 0.39 -0.55 8.46 8.99 2q86B1 SER 154 HA -0.00 0.17 0.81 -0.75 4.49 4.71 2q86B1 SER 154 HB2 -0.18 0.01 0.05 -0.04 3.95 3.78 2q86B1 SER 154 HB3 0.07 0.04 -0.17 -0.04 3.93 3.83 2q86B1 TRP 155 H -0.02 0.28 0.23 -0.55 7.97 7.92 2q86B1 TRP 155 HA 0.11 0.31 1.14 -0.75 4.62 5.43 2q86B1 TRP 155 HB2 -0.14 0.06 0.08 -0.04 3.23 3.19 2q86B1 TRP 155 HB3 -0.01 -0.01 -0.07 -0.04 3.23 3.10 2q86B1 TRP 155 HD1 -0.04 0.04 -0.16 -0.04 7.22 7.02 2q86B1 TRP 155 HE1 0.01 -0.04 -0.33 -0.04 10.20 9.81 2q86B1 TRP 155 HE3 0.11 0.03 -0.22 -0.04 7.59 7.47 2q86B1 TRP 155 HZ2 0.02 0.03 -0.37 -0.04 7.44 7.08 2q86B1 TRP 155 HZ3 0.07 -0.00 -0.27 -0.04 7.13 6.88 2q86B1 TRP 155 HH2 0.02 -0.03 -0.47 -0.04 7.19 6.67 2q86B1 TRP 156 H 0.45 0.66 0.30 -0.55 7.97 8.83 2q86B1 TRP 156 HA 0.05 0.25 0.64 -0.75 4.62 4.80 2q86B1 TRP 156 HB2 -0.00 0.00 0.02 -0.04 3.23 3.21 2q86B1 TRP 156 HB3 0.02 -0.07 -0.25 -0.04 3.23 2.89 2q86B1 TRP 156 HD1 -0.05 0.12 -0.37 -0.04 7.22 6.88 2q86B1 TRP 156 HE1 -0.04 0.00 -0.24 -0.04 10.20 9.88 2q86B1 TRP 156 HE3 0.02 0.00 -0.64 -0.04 7.59 6.93 2q86B1 TRP 156 HZ2 0.00 0.01 -0.11 -0.04 7.44 7.31 2q86B1 TRP 156 HZ3 0.02 0.08 -0.02 -0.04 7.13 7.16 2q86B1 TRP 156 HH2 0.02 0.01 -0.04 -0.04 7.19 7.13 2q86B1 VAL 157 H 0.09 0.74 0.23 -0.55 8.24 8.75 2q86B1 VAL 157 HA -0.04 0.37 1.13 -0.75 4.13 4.84 2q86B1 VAL 157 HB 0.03 0.02 0.12 -0.04 2.12 2.25 2q86B1 VAL 157 HG13 0.06 0.00 -0.09 -0.04 0.97 0.90 2q86B1 VAL 157 HG23 0.12 -0.01 -0.15 -0.04 0.95 0.86 2q86B1 ASN 158 H -0.05 0.62 0.30 -0.55 8.53 8.85 2q86B1 ASN 158 HA 0.07 0.04 0.38 -0.75 4.76 4.49 2q86B1 ASN 158 HB2 0.08 0.12 -0.11 -0.04 2.88 2.92 2q86B1 ASN 158 HB3 0.06 0.02 0.21 -0.04 2.79 3.05 2q86B1 ASN 158 HD21 -0.10 -0.01 -0.03 -0.04 7.03 6.84 2q86B1 ASN 158 HD22 0.12 0.02 -0.06 -0.04 7.74 7.78 2q86B1 GLY 159 H 0.20 0.07 -0.42 -0.55 8.43 7.73 2q86B1 GLY 159 HA2 0.20 -0.02 0.15 -0.51 4.01 3.84 2q86B1 GLY 159 HA3 0.14 0.11 0.37 -0.51 4.01 4.11 2q86B1 LYS 160 H 0.20 0.38 -0.43 -0.55 8.42 8.02 2q86B1 LYS 160 HA 0.25 0.14 0.90 -0.75 4.32 4.86 2q86B1 LYS 160 HB2 0.06 0.11 0.04 -0.04 1.87 2.04 2q86B1 LYS 160 HB3 0.02 0.03 -0.03 -0.04 1.79 1.77 2q86B1 LYS 160 HG2 0.10 -0.02 -0.02 -0.04 1.46 1.48 2q86B1 LYS 160 HG3 0.12 0.04 -0.34 -0.04 1.46 1.24 2q86B1 LYS 160 HD2 0.05 -0.03 -0.02 -0.04 1.69 1.65 2q86B1 LYS 160 HD3 0.06 -0.04 -0.02 -0.04 1.68 1.64 2q86B1 LYS 160 HE2 0.08 0.12 0.00 -0.04 2.99 3.14 2q86B1 LYS 160 HE3 0.07 0.00 0.01 -0.04 2.99 3.03 2q86B1 GLU 161 H -0.38 0.12 0.14 -0.55 8.60 7.93 2q86B1 GLU 161 HA -1.17 0.22 0.63 -0.75 4.29 3.22 2q86B1 GLU 161 HB2 -2.11 -0.03 0.08 -0.04 2.09 -0.01 2q86B1 GLU 161 HB3 -0.62 -0.04 0.10 -0.04 1.99 1.39 2q86B1 GLU 161 HG2 -0.88 0.07 -0.13 -0.04 2.34 1.36 2q86B1 GLU 161 HG3 -1.15 0.07 0.11 -0.04 2.34 1.33 2q86B1 VAL 162 H -0.42 0.61 0.36 -0.55 8.24 8.24 2q86B1 VAL 162 HA -0.24 0.16 1.05 -0.75 4.13 4.34 2q86B1 VAL 162 HB -0.13 -0.00 0.04 -0.04 2.12 1.98 2q86B1 VAL 162 HG13 -0.09 0.02 -0.07 -0.04 0.97 0.80 2q86B1 VAL 162 HG23 -0.06 0.00 -0.16 -0.04 0.95 0.69 2q86B1 HIS 163 H -0.06 -0.02 0.22 -0.55 8.41 8.01 2q86B1 HIS 163 HA -0.04 0.22 0.93 -0.75 4.63 4.99 2q86B1 HIS 163 HB2 -0.05 -0.04 0.07 -0.04 3.26 3.21 2q86B1 HIS 163 HB3 -0.04 0.02 0.07 -0.04 3.20 3.21 2q86B1 HIS 163 HD2 -0.08 0.01 -0.08 -0.04 6.97 6.78 2q86B1 HIS 163 HE1 -0.07 0.01 -0.04 -0.04 7.75 7.60 2q86B1 SER 164 H -0.00 -0.03 0.21 -0.55 8.46 8.09 2q86B1 SER 164 HA -0.02 0.10 0.63 -0.75 4.49 4.45 2q86B1 SER 164 HB2 -0.05 0.03 0.08 -0.04 3.95 3.97 2q86B1 SER 164 HB3 -0.03 0.03 0.14 -0.04 3.93 4.04 2q86B1 GLY 165 H -0.06 0.13 0.22 -0.55 8.43 8.17 2q86B1 GLY 165 HA2 -0.10 -0.01 0.36 -0.51 4.01 3.75 2q86B1 GLY 165 HA3 -0.14 0.18 0.54 -0.51 4.01 4.09 2q86B1 VAL 166 H -0.07 0.30 -0.23 -0.55 8.24 7.70 2q86B1 VAL 166 HA -0.22 0.31 1.06 -0.75 4.13 4.54 2q86B1 VAL 166 HB 0.01 0.12 0.07 -0.04 2.12 2.28 2q86B1 VAL 166 HG13 0.21 -0.03 -0.17 -0.04 0.97 0.94 2q86B1 VAL 166 HG23 -0.25 0.03 -0.27 -0.04 0.95 0.41 2q86B1 CYS 167 H -0.01 0.60 0.29 -0.55 8.50 8.84 2q86B1 CYS 167 HA 0.04 0.17 0.69 -0.75 4.58 4.73 2q86B1 CYS 167 HB2 -0.00 -0.00 -0.05 -0.04 2.97 2.87 2q86B1 CYS 167 HB3 0.02 -0.07 0.10 -0.04 2.97 2.99 2q86B1 THR 168 H 0.09 0.22 0.09 -0.55 8.28 8.13 2q86B1 THR 168 HA 0.15 0.15 1.13 -0.75 4.39 5.07 2q86B1 THR 168 HB 0.10 0.02 0.05 -0.04 4.32 4.45 2q86B1 THR 168 HG23 0.10 0.07 -0.02 -0.04 1.22 1.32 2q86B1 ASP 169 H 0.13 0.56 0.32 -0.55 8.40 8.86 2q86B1 ASP 169 HA 0.09 0.03 0.47 -0.75 4.63 4.47 2q86B1 ASP 169 HB2 0.12 -0.06 0.18 -0.04 2.71 2.91 2q86B1 ASP 169 HB3 0.02 0.11 0.14 -0.04 2.70 2.93 2q86B1 PRO 170 HA 0.02 0.15 0.59 -0.51 4.44 4.69 2q86B1 PRO 170 HB2 -0.00 0.00 0.05 -0.04 2.28 2.29 2q86B1 PRO 170 HB3 0.01 0.02 0.16 -0.04 2.02 2.17 2q86B1 PRO 170 HG2 -0.01 0.01 0.09 -0.04 2.03 2.07 2q86B1 PRO 170 HG3 0.01 0.01 0.11 -0.04 2.03 2.12 2q86B1 PRO 170 HD2 0.02 0.04 0.26 -0.04 3.68 3.96 2q86B1 PRO 170 HD3 0.04 0.15 0.25 -0.04 3.65 4.06 2q86B1 GLN 171 H -0.09 0.15 -0.17 -0.55 8.47 7.81 2q86B1 GLN 171 HA -0.03 0.15 0.75 -0.75 4.36 4.48 2q86B1 GLN 171 HB2 -0.14 -0.07 0.02 -0.04 2.15 1.92 2q86B1 GLN 171 HB3 -0.08 0.10 0.00 -0.04 2.02 2.00 2q86B1 GLN 171 HG2 -0.02 0.15 -0.32 -0.04 2.40 2.16 2q86B1 GLN 171 HG3 -0.03 -0.06 -0.08 -0.04 2.39 2.18 2q86B1 GLN 171 HE21 0.01 -0.02 0.02 -0.04 6.97 6.93 2q86B1 GLN 171 HE22 -0.00 -0.04 -0.01 -0.04 7.69 7.60 2q86B1 ALA 172 H 0.02 0.13 0.11 -0.55 8.40 8.12 2q86B1 ALA 172 HA 0.11 0.12 0.72 -0.75 4.34 4.53 2q86B1 ALA 172 HB3 0.21 -0.01 0.01 -0.04 1.41 1.59 2q86B1 TYR 173 H 0.28 0.70 0.42 -0.55 8.29 9.14 2q86B1 TYR 173 HA 0.10 0.11 0.72 -0.75 4.56 4.73 2q86B1 TYR 173 HB2 0.05 -0.07 0.12 -0.04 3.06 3.12 2q86B1 TYR 173 HB3 0.02 0.06 -0.06 -0.04 2.98 2.96 2q86B1 TYR 173 HD2 0.06 0.00 0.02 -0.04 7.15 7.19 2q86B1 TYR 173 HE2 0.04 -0.05 0.03 -0.04 6.85 6.83 2q86B1 LYS 174 H 0.09 0.16 0.16 -0.55 8.42 8.28 2q86B1 LYS 174 HA -0.42 0.11 0.72 -0.75 4.32 3.97 2q86B1 LYS 174 HB2 -0.09 -0.03 0.13 -0.04 1.87 1.84 2q86B1 LYS 174 HB3 -0.12 -0.03 0.07 -0.04 1.79 1.67 2q86B1 LYS 174 HG2 -0.42 0.32 -0.00 -0.04 1.46 1.31 2q86B1 LYS 174 HG3 -1.14 -0.06 -0.05 -0.04 1.46 0.16 2q86B1 LYS 174 HD2 -0.09 -0.06 0.00 -0.04 1.69 1.50 2q86B1 LYS 174 HD3 -0.17 -0.06 -0.06 -0.04 1.68 1.36 2q86B1 LYS 174 HE2 -0.24 0.28 0.06 -0.04 2.99 3.06 2q86B1 LYS 174 HE3 0.00 -0.09 0.00 -0.04 2.99 2.86 2q86B1 GLU 175 H -0.17 0.65 0.48 -0.55 8.60 9.01 2q86B1 GLU 175 HA -0.04 0.04 0.46 -0.75 4.29 4.00 2q86B1 GLU 175 HB2 -0.05 -0.01 -0.04 -0.04 2.09 1.95 2q86B1 GLU 175 HB3 -0.07 -0.03 -0.02 -0.04 1.99 1.83 2q86B1 GLU 175 HG2 -0.03 -0.02 -0.10 -0.04 2.34 2.15 2q86B1 GLU 175 HG3 -0.02 -0.01 -0.00 -0.04 2.34 2.26 2q86B1 SER 176 H -0.16 0.41 0.22 -0.55 8.46 8.38 2q86B1 SER 176 HA -0.10 0.17 0.44 -0.75 4.49 4.25 2q86B1 SER 176 HB2 -0.08 -0.09 0.16 -0.04 3.95 3.89 2q86B1 SER 176 HB3 -0.06 0.12 -0.05 -0.04 3.93 3.90 2q86B1 ASN 177 H -0.18 0.15 0.10 -0.55 8.53 8.06 2q86B1 ASN 177 HA -0.30 0.09 0.33 -0.75 4.76 4.13 2q86B1 ASN 177 HB2 -0.27 -0.01 0.15 -0.04 2.88 2.71 2q86B1 ASN 177 HB3 -0.64 0.01 0.05 -0.04 2.79 2.16 2q86B1 ASN 177 HD21 -0.31 0.00 -0.00 -0.04 7.03 6.67 2q86B1 ASN 177 HD22 -0.44 -0.01 -0.01 -0.04 7.74 7.24 2q86B1 TYR 178 H -0.20 0.03 -0.25 -0.55 8.29 7.33 2q86B1 TYR 178 HA -0.68 0.23 0.87 -0.75 4.56 4.23 2q86B1 TYR 178 HB2 -0.27 -0.01 0.04 -0.04 3.06 2.78 2q86B1 TYR 178 HB3 -0.70 0.10 0.15 -0.04 2.98 2.49 2q86B1 TYR 178 HD2 -0.59 0.03 -0.04 -0.04 7.15 6.51 2q86B1 TYR 178 HE2 -0.07 -0.01 -0.03 -0.04 6.85 6.70 2q86B1 SER 179 H -0.23 0.40 -0.32 -0.55 8.46 7.77 2q86B1 SER 179 HA 0.04 0.37 0.69 -0.75 4.49 4.84 2q86B1 SER 179 HB2 -0.03 0.06 -0.34 -0.04 3.95 3.61 2q86B1 SER 179 HB3 -0.08 -0.20 -0.01 -0.04 3.93 3.59 2q86B1 TYR 180 H -0.12 0.86 0.26 -0.55 8.29 8.75 2q86B1 TYR 180 HA -0.16 0.17 1.09 -0.75 4.56 4.91 2q86B1 TYR 180 HB2 -1.20 0.10 -0.10 -0.04 3.06 1.81 2q86B1 TYR 180 HB3 -0.49 -0.01 -0.12 -0.04 2.98 2.32 2q86B1 TYR 180 HD2 0.06 0.16 -0.32 -0.04 7.15 7.01 2q86B1 TYR 180 HE2 0.19 -0.00 -0.08 -0.04 6.85 6.92 2q86B1 CYS 181 H 0.08 0.74 0.40 -0.55 8.50 9.17 2q86B1 CYS 181 HA 0.17 0.30 0.94 -0.75 4.58 5.23 2q86B1 CYS 181 HB2 0.13 -0.01 0.09 -0.04 2.97 3.14 2q86B1 CYS 181 HB3 0.15 0.00 0.06 -0.04 2.97 3.15 2q86B1 LEU 182 H 0.33 0.70 0.40 -0.55 8.37 9.25 2q86B1 LEU 182 HA 0.30 0.09 0.82 -0.75 4.35 4.81 2q86B1 LEU 182 HB2 0.44 0.01 -0.24 -0.04 1.64 1.81 2q86B1 LEU 182 HB3 0.24 -0.04 -0.00 -0.04 1.64 1.80 2q86B1 LEU 182 HG 0.14 0.05 -0.07 -0.04 1.64 1.72 2q86B1 LEU 182 HD13 0.12 0.05 -0.11 -0.04 0.93 0.95 2q86B1 LEU 182 HD23 0.06 -0.00 -0.16 -0.04 0.89 0.75 2q86B1 SER 183 H 0.22 0.18 0.27 -0.55 8.46 8.59 2q86B1 SER 183 HA 0.12 0.35 1.15 -0.75 4.49 5.37 2q86B1 SER 183 HB2 0.07 0.06 0.16 -0.04 3.95 4.20 2q86B1 SER 183 HB3 0.08 -0.03 -0.01 -0.04 3.93 3.92 2q86B1 SER 184 H 0.17 0.59 0.43 -0.55 8.46 9.11 2q86B1 SER 184 HA 0.20 0.26 0.88 -0.75 4.49 5.07 2q86B1 SER 184 HB2 0.19 0.03 -0.19 -0.04 3.95 3.93 2q86B1 SER 184 HB3 0.30 -0.07 -0.07 -0.04 3.93 4.05 2q86B1 ARG 185 H 0.16 0.59 0.36 -0.55 8.46 9.02 2q86B1 ARG 185 HA 0.11 0.29 1.16 -0.75 4.34 5.14 2q86B1 ARG 185 HB2 -0.03 -0.06 0.10 -0.04 1.90 1.87 2q86B1 ARG 185 HB3 -0.09 0.02 -0.03 -0.04 1.80 1.65 2q86B1 ARG 185 HG2 -0.00 0.03 -0.07 -0.04 1.67 1.58 2q86B1 ARG 185 HG3 0.03 -0.03 -0.12 -0.04 1.67 1.51 2q86B1 ARG 185 HD2 -0.06 -0.01 -0.09 -0.04 3.22 3.02 2q86B1 ARG 185 HD3 -0.03 -0.02 -0.08 -0.04 3.22 3.05 2q86B1 LEU 186 H -0.52 0.62 0.30 -0.55 8.37 8.23 2q86B1 LEU 186 HA -0.59 0.32 0.87 -0.75 4.35 4.20 2q86B1 LEU 186 HB2 -2.36 -0.01 -0.08 -0.04 1.64 -0.84 2q86B1 LEU 186 HB3 -1.62 -0.06 0.07 -0.04 1.64 -0.01 2q86B1 LEU 186 HG -0.39 -0.02 -0.42 -0.04 1.64 0.76 2q86B1 LEU 186 HD13 -0.37 0.02 -0.16 -0.04 0.93 0.38 2q86B1 LEU 186 HD23 -0.18 -0.02 -0.15 -0.04 0.89 0.49 2q86B1 ARG 187 H -0.26 0.70 0.28 -0.55 8.46 8.63 2q86B1 ARG 187 HA -0.22 0.30 1.18 -0.75 4.34 4.85 2q86B1 ARG 187 HB2 -0.15 -0.03 -0.07 -0.04 1.90 1.61 2q86B1 ARG 187 HB3 -0.13 -0.02 0.10 -0.04 1.80 1.71 2q86B1 ARG 187 HG2 -0.10 0.01 -0.20 -0.04 1.67 1.34 2q86B1 ARG 187 HG3 -0.13 -0.04 -0.26 -0.04 1.67 1.19 2q86B1 ARG 187 HD2 -0.09 0.01 -0.10 -0.04 3.22 3.00 2q86B1 ARG 187 HD3 -0.07 0.00 -0.11 -0.04 3.22 3.00 2q86B1 VAL 188 H -0.13 0.61 0.33 -0.55 8.24 8.50 2q86B1 VAL 188 HA -0.09 0.17 0.85 -0.75 4.13 4.30 2q86B1 VAL 188 HB 0.11 -0.10 0.10 -0.04 2.12 2.19 2q86B1 VAL 188 HG13 0.04 0.01 -0.23 -0.04 0.97 0.75 2q86B1 VAL 188 HG23 0.22 0.06 -0.12 -0.04 0.95 1.07 2q86B1 SER 189 H 0.02 0.12 0.16 -0.55 8.46 8.21 2q86B1 SER 189 HA 0.02 0.26 0.74 -0.75 4.49 4.76 2q86B1 SER 189 HB2 0.07 0.08 0.21 -0.04 3.95 4.26 2q86B1 SER 189 HB3 0.03 0.09 0.17 -0.04 3.93 4.19 2q86B1 ALA 190 H 0.04 0.67 -0.01 -0.55 8.40 8.56 2q86B1 ALA 190 HA -0.02 0.07 0.32 -0.75 4.34 3.95 2q86B1 ALA 190 HB3 0.04 0.01 -0.04 -0.04 1.41 1.39 2q86B1 THR 191 H 0.12 0.14 -0.13 -0.55 8.28 7.86 2q86B1 THR 191 HA 0.19 0.11 0.32 -0.75 4.39 4.25 2q86B1 THR 191 HB 0.14 -0.04 -0.01 -0.04 4.32 4.38 2q86B1 THR 191 HG23 0.10 0.02 -0.07 -0.04 1.22 1.23 2q86B1 PHE 192 H 0.30 0.06 -0.42 -0.55 8.34 7.73 2q86B1 PHE 192 HA 0.12 0.08 0.44 -0.75 4.62 4.51 2q86B1 PHE 192 HB2 0.10 -0.09 0.08 -0.04 3.15 3.20 2q86B1 PHE 192 HB3 0.18 0.07 0.04 -0.04 3.06 3.31 2q86B1 PHE 192 HD2 0.27 0.01 -0.12 -0.04 7.28 7.39 2q86B1 PHE 192 HE2 -0.05 0.01 -0.06 -0.04 7.38 7.24 2q86B1 PHE 192 HZ -0.05 0.02 -0.05 -0.04 7.32 7.19 2q86B1 TRP 193 H 0.40 0.44 -0.13 -0.55 7.97 8.13 2q86B1 TRP 193 HA 0.17 0.04 0.46 -0.75 4.62 4.53 2q86B1 TRP 193 HB2 -0.11 -0.05 -0.00 -0.04 3.23 3.03 2q86B1 TRP 193 HB3 -0.19 0.05 0.08 -0.04 3.23 3.13 2q86B1 TRP 193 HD1 -0.37 -0.00 -0.12 -0.04 7.22 6.68 2q86B1 TRP 193 HE1 0.02 0.01 -0.08 -0.04 10.20 10.12 2q86B1 TRP 193 HE3 -0.92 -0.02 -0.08 -0.04 7.59 6.52 2q86B1 TRP 193 HZ2 0.01 -0.00 -0.03 -0.04 7.44 7.38 2q86B1 TRP 193 HZ3 -0.57 -0.03 -0.23 -0.04 7.13 6.25 2q86B1 TRP 193 HH2 -0.03 -0.03 -0.08 -0.04 7.19 7.01 2q86B1 HIS 194 H 0.08 0.49 -0.29 -0.55 8.41 8.16 2q86B1 HIS 194 HA -0.24 0.42 0.26 -0.75 4.63 4.32 2q86B1 HIS 194 HB2 0.06 0.01 0.03 -0.04 3.26 3.32 2q86B1 HIS 194 HB3 -0.00 -0.14 0.06 -0.04 3.20 3.07 2q86B1 HIS 194 HD2 0.10 -0.10 -0.18 -0.04 6.97 6.74 2q86B1 HIS 194 HE1 0.22 -0.03 -0.03 -0.04 7.75 7.87 2q86B1 ASN 195 H -0.04 0.32 -0.79 -0.55 8.53 7.47 2q86B1 ASN 195 HA -0.03 0.14 0.72 -0.75 4.76 4.83 2q86B1 ASN 195 HB2 -0.04 0.07 0.02 -0.04 2.88 2.89 2q86B1 ASN 195 HB3 -0.18 0.12 0.15 -0.04 2.79 2.84 2q86B1 ASN 195 HD21 -0.05 -0.02 -0.03 -0.04 7.03 6.89 2q86B1 ASN 195 HD22 -0.10 0.03 -0.01 -0.04 7.74 7.62 2q86B1 PRO 196 HA -0.02 0.41 0.18 -0.51 4.44 4.50 2q86B1 PRO 196 HB2 -0.04 -0.02 -0.05 -0.04 2.28 2.13 2q86B1 PRO 196 HB3 -0.06 0.05 0.06 -0.04 2.02 2.04 2q86B1 PRO 196 HG2 -0.04 0.00 0.07 -0.04 2.03 2.02 2q86B1 PRO 196 HG3 -0.05 -0.02 0.05 -0.04 2.03 1.96 2q86B1 PRO 196 HD2 -0.04 0.03 0.18 -0.04 3.68 3.82 2q86B1 PRO 196 HD3 -0.04 0.39 0.29 -0.04 3.65 4.25 2q86B1 ARG 197 H -0.02 0.04 -0.33 -0.55 8.46 7.59 2q86B1 ARG 197 HA 0.06 0.08 0.45 -0.75 4.34 4.18 2q86B1 ARG 197 HB2 -0.01 -0.03 0.05 -0.04 1.90 1.86 2q86B1 ARG 197 HB3 -0.04 0.01 -0.04 -0.04 1.80 1.68 2q86B1 ARG 197 HG2 0.04 0.00 0.01 -0.04 1.67 1.68 2q86B1 ARG 197 HG3 0.02 -0.00 0.05 -0.04 1.67 1.70 2q86B1 ARG 197 HD2 -0.00 -0.01 -0.01 -0.04 3.22 3.15 2q86B1 ARG 197 HD3 -0.01 -0.00 -0.05 -0.04 3.22 3.12 2q86B1 ASN 198 H -0.04 0.47 -0.24 -0.55 8.53 8.17 2q86B1 ASN 198 HA -0.15 -0.02 0.45 -0.75 4.76 4.29 2q86B1 ASN 198 HB2 -0.20 0.24 0.19 -0.04 2.88 3.07 2q86B1 ASN 198 HB3 -0.71 -0.06 -0.03 -0.04 2.79 1.95 2q86B1 ASN 198 HD21 -1.08 -0.13 0.05 -0.04 7.03 5.83 2q86B1 ASN 198 HD22 -0.85 0.69 0.22 -0.04 7.74 7.76 2q86B1 HIS 199 H -0.19 0.08 0.30 -0.55 8.41 8.05 2q86B1 HIS 199 HA -0.57 0.27 1.04 -0.75 4.63 4.62 2q86B1 HIS 199 HB2 -0.78 0.12 0.03 -0.04 3.26 2.59 2q86B1 HIS 199 HB3 -0.32 -0.18 0.21 -0.04 3.20 2.86 2q86B1 HIS 199 HD2 -2.69 0.05 -0.06 -0.04 6.97 4.22 2q86B1 HIS 199 HE1 -0.16 -0.01 -0.15 -0.04 7.75 7.38 2q86B1 PHE 200 H -0.31 0.82 0.41 -0.55 8.34 8.71 2q86B1 PHE 200 HA 0.01 0.19 1.04 -0.75 4.62 5.09 2q86B1 PHE 200 HB2 0.14 -0.01 0.09 -0.04 3.15 3.32 2q86B1 PHE 200 HB3 0.24 -0.02 -0.06 -0.04 3.06 3.17 2q86B1 PHE 200 HD2 0.15 0.08 -0.18 -0.04 7.28 7.29 2q86B1 PHE 200 HE2 0.23 0.03 -0.15 -0.04 7.38 7.46 2q86B1 PHE 200 HZ 0.35 0.06 -0.26 -0.04 7.32 7.43 2q86B1 ARG 201 H 0.21 0.55 0.33 -0.55 8.46 9.00 2q86B1 ARG 201 HA -0.03 0.27 1.10 -0.75 4.34 4.92 2q86B1 ARG 201 HB2 -0.24 -0.02 -0.17 -0.04 1.90 1.43 2q86B1 ARG 201 HB3 0.05 -0.05 0.03 -0.04 1.80 1.79 2q86B1 ARG 201 HG2 -0.04 -0.04 -0.45 -0.04 1.67 1.10 2q86B1 ARG 201 HG3 -0.06 0.14 -0.12 -0.04 1.67 1.58 2q86B1 ARG 201 HD2 -0.11 -0.00 -0.18 -0.04 3.22 2.89 2q86B1 ARG 201 HD3 0.00 -0.01 -0.16 -0.04 3.22 3.01 2q86B1 CYS 202 H -0.12 0.59 0.31 -0.55 8.50 8.74 2q86B1 CYS 202 HA -0.70 0.18 0.91 -0.75 4.58 4.21 2q86B1 CYS 202 HB2 -1.26 -0.03 -0.04 -0.04 2.97 1.61 2q86B1 CYS 202 HB3 -0.35 -0.04 0.08 -0.04 2.97 2.62 2q86B1 GLN 203 H -0.15 0.76 0.34 -0.55 8.47 8.87 2q86B1 GLN 203 HA -0.10 0.21 0.99 -0.75 4.36 4.71 2q86B1 GLN 203 HB2 -0.10 -0.03 -0.20 -0.04 2.15 1.78 2q86B1 GLN 203 HB3 0.25 -0.01 0.01 -0.04 2.02 2.23 2q86B1 GLN 203 HG2 -0.01 0.01 -0.46 -0.04 2.40 1.89 2q86B1 GLN 203 HG3 -0.11 -0.00 -0.18 -0.04 2.39 2.05 2q86B1 GLN 203 HE21 0.09 -0.00 -0.13 -0.04 6.97 6.89 2q86B1 GLN 203 HE22 0.15 -0.00 -0.19 -0.04 7.69 7.61 2q86B1 VAL 204 H -0.09 0.80 0.33 -0.55 8.24 8.73 2q86B1 VAL 204 HA -0.07 0.26 1.04 -0.75 4.13 4.60 2q86B1 VAL 204 HB -0.11 0.04 0.09 -0.04 2.12 2.11 2q86B1 VAL 204 HG13 -0.18 -0.01 -0.30 -0.04 0.97 0.43 2q86B1 VAL 204 HG23 -0.11 -0.03 -0.25 -0.04 0.95 0.52 2q86B1 GLN 205 H -0.03 0.76 0.29 -0.55 8.47 8.94 2q86B1 GLN 205 HA -0.10 0.18 0.92 -0.75 4.36 4.61 2q86B1 GLN 205 HB2 -0.03 -0.03 0.03 -0.04 2.15 2.08 2q86B1 GLN 205 HB3 -0.03 -0.04 0.16 -0.04 2.02 2.07 2q86B1 GLN 205 HG2 -0.73 0.01 -0.32 -0.04 2.40 1.32 2q86B1 GLN 205 HG3 -0.24 0.05 -0.12 -0.04 2.39 2.04 2q86B1 GLN 205 HE21 0.02 -0.02 -0.08 -0.04 6.97 6.84 2q86B1 GLN 205 HE22 -0.14 0.02 -0.14 -0.04 7.69 7.39 2q86B1 PHE 206 H -0.02 0.73 0.35 -0.55 8.34 8.84 2q86B1 PHE 206 HA -0.16 0.15 0.82 -0.75 4.62 4.67 2q86B1 PHE 206 HB2 -0.17 -0.05 -0.00 -0.04 3.15 2.89 2q86B1 PHE 206 HB3 -0.13 0.05 0.17 -0.04 3.06 3.10 2q86B1 PHE 206 HD2 -0.11 0.00 -0.18 -0.04 7.28 6.95 2q86B1 PHE 206 HE2 0.01 0.06 -0.29 -0.04 7.38 7.13 2q86B1 PHE 206 HZ 0.00 0.05 -0.14 -0.04 7.32 7.20 2q86B1 HIS 207 H -0.33 0.81 0.26 -0.55 8.41 8.60 2q86B1 HIS 207 HA -0.26 -0.01 0.86 -0.75 4.63 4.47 2q86B1 HIS 207 HB2 -0.13 0.02 0.14 -0.04 3.26 3.25 2q86B1 HIS 207 HB3 -0.13 -0.03 -0.03 -0.04 3.20 2.97 2q86B1 HIS 207 HD2 -0.07 0.14 -0.30 -0.04 6.97 6.69 2q86B1 HIS 207 HE1 -0.03 -0.03 -0.09 -0.04 7.75 7.55 2q86B1 GLY 208 H -0.24 0.04 -0.05 -0.55 8.43 7.64 2q86B1 GLY 208 HA2 -0.35 0.16 0.81 -0.51 4.01 4.13 2q86B1 GLY 208 HA3 -0.17 0.28 0.21 -0.51 4.01 3.82 2q86B1 LEU 209 H -0.05 0.60 0.18 -0.55 8.37 8.55 2q86B1 LEU 209 HA -0.02 0.01 0.50 -0.75 4.35 4.09 2q86B1 LEU 209 HB2 -0.10 0.00 -0.15 -0.04 1.64 1.36 2q86B1 LEU 209 HB3 -0.00 -0.01 0.05 -0.04 1.64 1.63 2q86B1 LEU 209 HG -0.08 0.15 0.03 -0.04 1.64 1.70 2q86B1 LEU 209 HD13 0.01 0.00 -0.07 -0.04 0.93 0.83 2q86B1 LEU 209 HD23 0.06 -0.03 -0.04 -0.04 0.89 0.83 2q86B1 SER 210 H -0.01 0.07 0.21 -0.55 8.46 8.18 2q86B1 SER 210 HA -0.02 0.21 0.87 -0.75 4.49 4.80 2q86B1 SER 210 HB2 -0.00 -0.13 0.23 -0.04 3.95 4.01 2q86B1 SER 210 HB3 -0.01 0.11 0.14 -0.04 3.93 4.13 2q86B1 GLU 211 H -0.00 0.13 0.17 -0.55 8.60 8.35 2q86B1 GLU 211 HA 0.00 0.14 0.37 -0.75 4.29 4.05 2q86B1 GLU 211 HB2 0.00 -0.04 0.12 -0.04 2.09 2.13 2q86B1 GLU 211 HB3 0.01 0.05 0.07 -0.04 1.99 2.08 2q86B1 GLU 211 HG2 -0.00 0.06 0.08 -0.04 2.34 2.44 2q86B1 GLU 211 HG3 -0.00 -0.08 0.19 -0.04 2.34 2.40 2q86B1 GLU 212 H 0.01 0.02 -0.07 -0.55 8.60 8.00 2q86B1 GLU 212 HA 0.02 0.11 0.35 -0.75 4.29 4.02 2q86B1 GLU 212 HB2 0.01 0.02 0.11 -0.04 2.09 2.19 2q86B1 GLU 212 HB3 0.01 -0.03 0.09 -0.04 1.99 2.02 2q86B1 GLU 212 HG2 0.01 0.05 -0.21 -0.04 2.34 2.15 2q86B1 GLU 212 HG3 0.00 0.02 -0.01 -0.04 2.34 2.32 2q86B1 ASP 213 H 0.03 0.18 -0.55 -0.55 8.40 7.51 2q86B1 ASP 213 HA 0.06 -0.03 0.43 -0.75 4.63 4.33 2q86B1 ASP 213 HB2 0.04 0.23 0.06 -0.04 2.71 3.00 2q86B1 ASP 213 HB3 0.11 0.07 -0.08 -0.04 2.70 2.76 2q86B1 LYS 214 H 0.09 0.05 0.19 -0.55 8.42 8.19 2q86B1 LYS 214 HA 0.10 0.11 0.54 -0.75 4.32 4.32 2q86B1 LYS 214 HB2 0.07 -0.06 0.15 -0.04 1.87 1.99 2q86B1 LYS 214 HB3 0.05 0.00 0.01 -0.04 1.79 1.80 2q86B1 LYS 214 HG2 0.04 0.05 0.04 -0.04 1.46 1.55 2q86B1 LYS 214 HG3 0.04 0.01 0.12 -0.04 1.46 1.59 2q86B1 LYS 214 HD2 0.02 -0.03 0.05 -0.04 1.69 1.68 2q86B1 LYS 214 HD3 0.01 -0.00 0.02 -0.04 1.68 1.67 2q86B1 LYS 214 HE2 0.01 -0.02 0.02 -0.04 2.99 2.96 2q86B1 LYS 214 HE3 0.01 0.02 0.02 -0.04 2.99 3.00 2q86B1 TRP 215 H 0.21 0.21 0.12 -0.55 7.97 7.96 2q86B1 TRP 215 HA 0.01 0.20 0.86 -0.75 4.62 4.94 2q86B1 TRP 215 HB2 0.02 0.05 -0.14 -0.04 3.23 3.12 2q86B1 TRP 215 HB3 0.01 -0.00 0.17 -0.04 3.23 3.37 2q86B1 TRP 215 HD1 0.01 0.01 -0.07 -0.04 7.22 7.14 2q86B1 TRP 215 HE1 0.01 0.29 -0.40 -0.04 10.20 10.06 2q86B1 TRP 215 HE3 0.03 0.04 0.02 -0.04 7.59 7.64 2q86B1 TRP 215 HZ2 0.02 -0.01 -0.07 -0.04 7.44 7.34 2q86B1 TRP 215 HZ3 0.04 0.17 -0.10 -0.04 7.13 7.20 2q86B1 TRP 215 HH2 0.04 0.20 0.04 -0.04 7.19 7.43 2q86B1 PRO 216 HA -0.13 0.15 0.44 -0.51 4.44 4.38 2q86B1 PRO 216 HB2 -0.18 0.01 0.20 -0.04 2.28 2.27 2q86B1 PRO 216 HB3 -0.12 -0.00 0.04 -0.04 2.02 1.90 2q86B1 PRO 216 HG2 -0.36 0.02 -0.01 -0.04 2.03 1.63 2q86B1 PRO 216 HG3 -0.18 0.00 0.00 -0.04 2.03 1.82 2q86B1 PRO 216 HD2 -0.95 0.13 0.01 -0.04 3.68 2.84 2q86B1 PRO 216 HD3 -0.16 0.23 -0.08 -0.04 3.65 3.59 2q86B1 GLU 217 H -0.45 0.34 -0.35 -0.55 8.60 7.58 2q86B1 GLU 217 HA -0.20 0.20 1.00 -0.75 4.29 4.54 2q86B1 GLU 217 HB2 -0.68 0.13 -0.08 -0.04 2.09 1.42 2q86B1 GLU 217 HB3 -0.10 -0.29 0.15 -0.04 1.99 1.71 2q86B1 GLU 217 HG2 -0.26 -0.03 0.02 -0.04 2.34 2.03 2q86B1 GLU 217 HG3 -0.58 0.02 -0.53 -0.04 2.34 1.20 2q86B1 GLY 218 H -0.03 0.08 0.18 -0.55 8.43 8.12 2q86B1 GLY 218 HA2 0.04 0.15 0.71 -0.51 4.01 4.40 2q86B1 GLY 218 HA3 0.02 -0.02 0.32 -0.51 4.01 3.82 2q86B1 SER 219 H 0.11 -0.09 0.01 -0.55 8.46 7.95 2q86B1 SER 219 HA 0.12 0.12 0.54 -0.75 4.49 4.51 2q86B1 SER 219 HB2 0.16 0.09 0.08 -0.04 3.95 4.24 2q86B1 SER 219 HB3 0.12 -0.09 0.08 -0.04 3.93 3.99 2q86B1 PRO 220 HA 0.07 0.01 0.32 -0.51 4.44 4.32 2q86B1 PRO 220 HB2 -0.04 0.07 -0.06 -0.04 2.28 2.21 2q86B1 PRO 220 HB3 -0.02 0.01 0.07 -0.04 2.02 2.04 2q86B1 PRO 220 HG2 0.01 0.04 0.07 -0.04 2.03 2.11 2q86B1 PRO 220 HG3 0.03 0.02 0.09 -0.04 2.03 2.13 2q86B1 PRO 220 HD2 0.08 0.11 0.15 -0.04 3.68 3.99 2q86B1 PRO 220 HD3 0.08 0.08 0.23 -0.04 3.65 4.00 2q86B1 LYS 221 H -0.12 0.06 0.14 -0.55 8.42 7.95 2q86B1 LYS 221 HA -1.93 0.12 0.46 -0.75 4.32 2.21 2q86B1 LYS 221 HB2 -0.18 0.02 0.13 -0.04 1.87 1.80 2q86B1 LYS 221 HB3 -0.21 -0.07 0.11 -0.04 1.79 1.58 2q86B1 LYS 221 HG2 -0.34 -0.04 -0.32 -0.04 1.46 0.72 2q86B1 LYS 221 HG3 -0.44 0.02 -0.07 -0.04 1.46 0.93 2q86B1 LYS 221 HD2 0.03 -0.01 -0.01 -0.04 1.69 1.66 2q86B1 LYS 221 HD3 -0.06 -0.07 -0.08 -0.04 1.68 1.42 2q86B1 LYS 221 HE2 -0.04 -0.05 -0.20 -0.04 2.99 2.66 2q86B1 LYS 221 HE3 0.07 -0.03 -0.20 -0.04 2.99 2.78 2q86B1 PRO 222 HA -0.17 0.13 0.43 -0.51 4.44 4.32 2q86B1 PRO 222 HB2 0.06 -0.07 0.01 -0.04 2.28 2.23 2q86B1 PRO 222 HB3 -0.20 0.10 0.02 -0.04 2.02 1.90 2q86B1 PRO 222 HG2 -0.38 -0.15 0.05 -0.04 2.03 1.52 2q86B1 PRO 222 HG3 -0.58 0.33 0.04 -0.04 2.03 1.78 2q86B1 PRO 222 HD2 -1.50 -0.01 0.08 -0.04 3.68 2.21 2q86B1 PRO 222 HD3 -2.41 0.22 0.21 -0.04 3.65 1.63 2q86B1 VAL 223 H -0.12 0.43 -0.03 -0.55 8.24 7.96 2q86B1 VAL 223 HA -0.06 0.18 0.49 -0.75 4.13 3.99 2q86B1 VAL 223 HB -0.04 -0.02 0.09 -0.04 2.12 2.11 2q86B1 VAL 223 HG13 -0.08 -0.01 -0.16 -0.04 0.97 0.68 2q86B1 VAL 223 HG23 -0.05 0.05 -0.07 -0.04 0.95 0.84 2q86B1 THR 224 H -0.05 0.21 0.12 -0.55 8.28 8.02 2q86B1 THR 224 HA -0.12 0.31 0.71 -0.75 4.39 4.54 2q86B1 THR 224 HB -0.04 -0.05 0.14 -0.04 4.32 4.33 2q86B1 THR 224 HG23 -0.17 0.02 -0.08 -0.04 1.22 0.95 2q86B1 GLN 225 H -0.05 0.59 0.39 -0.55 8.47 8.85 2q86B1 GLN 225 HA -0.05 -0.00 0.60 -0.75 4.36 4.16 2q86B1 GLN 225 HB2 -0.03 0.01 0.02 -0.04 2.15 2.10 2q86B1 GLN 225 HB3 -0.02 0.10 -0.21 -0.04 2.02 1.85 2q86B1 GLN 225 HG2 0.15 0.20 -0.07 -0.04 2.40 2.64 2q86B1 GLN 225 HG3 0.03 -0.08 -0.17 -0.04 2.39 2.13 2q86B1 GLN 225 HE21 -0.06 -0.03 -0.04 -0.04 6.97 6.80 2q86B1 GLN 225 HE22 0.04 0.37 -0.08 -0.04 7.69 7.98 2q86B1 ASN 226 H -0.06 0.15 0.18 -0.55 8.53 8.25 2q86B1 ASN 226 HA -0.07 0.29 1.03 -0.75 4.76 5.26 2q86B1 ASN 226 HB2 -0.09 -0.03 0.09 -0.04 2.88 2.81 2q86B1 ASN 226 HB3 -0.11 -0.01 -0.10 -0.04 2.79 2.54 2q86B1 ASN 226 HD21 -0.07 0.00 -0.08 -0.04 7.03 6.84 2q86B1 ASN 226 HD22 -0.11 -0.00 -0.04 -0.04 7.74 7.54 2q86B1 ILE 227 H -0.07 0.60 0.32 -0.55 8.25 8.55 2q86B1 ILE 227 HA -0.06 0.11 0.83 -0.75 4.18 4.31 2q86B1 ILE 227 HB -0.07 -0.02 0.11 -0.04 1.89 1.86 2q86B1 ILE 227 HG12 -0.06 0.01 -0.02 -0.04 1.49 1.37 2q86B1 ILE 227 HG13 -0.05 -0.08 -0.60 -0.04 1.21 0.44 2q86B1 ILE 227 HG23 -0.05 0.04 -0.06 -0.04 0.93 0.82 2q86B1 ILE 227 HD13 -0.11 0.09 -0.04 -0.04 0.88 0.78 2q86B1 SER 228 H -0.06 0.24 0.21 -0.55 8.46 8.31 2q86B1 SER 228 HA -0.09 0.27 1.10 -0.75 4.49 5.01 2q86B1 SER 228 HB2 -0.07 -0.05 -0.07 -0.04 3.95 3.72 2q86B1 SER 228 HB3 -0.08 0.08 -0.01 -0.04 3.93 3.87 2q86B1 ALA 229 H -0.09 0.53 0.34 -0.55 8.40 8.64 2q86B1 ALA 229 HA -0.01 0.15 0.61 -0.75 4.34 4.33 2q86B1 ALA 229 HB3 -0.02 0.04 -0.04 -0.04 1.41 1.34 2q86B1 GLU 230 H 0.03 0.26 0.23 -0.55 8.60 8.58 2q86B1 GLU 230 HA -0.03 0.25 1.17 -0.75 4.29 4.93 2q86B1 GLU 230 HB2 -0.20 0.07 0.07 -0.04 2.09 1.99 2q86B1 GLU 230 HB3 -0.03 -0.05 -0.17 -0.04 1.99 1.70 2q86B1 GLU 230 HG2 0.07 -0.06 0.02 -0.04 2.34 2.32 2q86B1 GLU 230 HG3 0.10 0.02 -0.18 -0.04 2.34 2.24 2q86B1 ALA 231 H -0.05 0.74 0.45 -0.55 8.40 8.99 2q86B1 ALA 231 HA 0.18 0.10 0.64 -0.75 4.34 4.51 2q86B1 ALA 231 HB3 0.32 0.02 -0.04 -0.04 1.41 1.67 2q86B1 TRP 232 H 0.39 0.17 0.19 -0.55 7.97 8.18 2q86B1 TRP 232 HA 0.23 0.21 1.08 -0.75 4.62 5.38 2q86B1 TRP 232 HB2 0.04 -0.06 0.12 -0.04 3.23 3.28 2q86B1 TRP 232 HB3 0.02 0.21 0.11 -0.04 3.23 3.53 2q86B1 TRP 232 HD1 0.11 -0.03 -0.04 -0.04 7.22 7.22 2q86B1 TRP 232 HE1 0.09 -0.02 -0.07 -0.04 10.20 10.16 2q86B1 TRP 232 HE3 0.05 0.25 -0.18 -0.04 7.59 7.67 2q86B1 TRP 232 HZ2 -0.17 -0.03 -0.05 -0.04 7.44 7.15 2q86B1 TRP 232 HZ3 -0.03 0.08 -0.06 -0.04 7.13 7.08 2q86B1 TRP 232 HH2 -0.24 -0.03 -0.03 -0.04 7.19 6.85 2q86B1 GLY 233 H 0.26 0.69 0.28 -0.55 8.43 9.10 2q86B1 GLY 233 HA2 -1.05 -0.01 0.48 -0.51 4.01 2.92 2q86B1 GLY 233 HA3 -0.15 0.19 0.26 -0.51 4.01 3.80 2q86B1 ARG 234 H -0.79 0.47 0.14 -0.55 8.46 7.73 2q86B1 ARG 234 HA -0.13 0.01 0.55 -0.75 4.34 4.01 2q86B1 ARG 234 HB2 -0.06 -0.07 -0.01 -0.04 1.90 1.72 2q86B1 ARG 234 HB3 -0.13 0.10 -0.19 -0.04 1.80 1.54 2q86B1 ARG 234 HG2 -0.59 -0.02 0.07 -0.04 1.67 1.09 2q86B1 ARG 234 HG3 0.01 0.07 -0.15 -0.04 1.67 1.56 2q86B1 ARG 234 HD2 0.30 -0.05 -0.04 -0.04 3.22 3.39 2q86B1 ARG 234 HD3 0.08 -0.04 -0.05 -0.04 3.22 3.17 2q86B1 ALA 235 H -0.07 0.04 0.04 -0.55 8.40 7.87 2q86B1 ALA 235 HA -0.13 0.18 0.61 -0.75 4.34 4.25 2q86B1 ALA 235 HB3 -0.07 0.03 0.12 -0.04 1.41 1.45