============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 14 1.040 28.900 50.080 59.873 -99.200 -91.000 TRP6 14 1.020 29.676 50.596 62.034 -99.200 -91.000 PHE 17 1.000 29.359 45.997 63.775 -99.200 -91.000 HIS 25 0.900 16.499 36.917 74.053 -99.200 -91.000 HIS 26 0.900 21.516 40.609 65.941 -99.200 -91.000 HIS 30 0.900 25.374 38.948 74.944 -99.200 -91.000 HIS 53 0.900 27.592 53.006 58.384 -99.200 -91.000 PHE 60 1.000 32.591 46.052 72.656 -99.200 -91.000 HIS 61 0.900 29.134 51.251 79.096 -99.200 -91.000 HIS 71 0.900 45.110 40.967 78.276 -99.200 -91.000 HIS 81 0.900 34.019 35.833 65.184 -99.200 -91.000 TRP 83 1.040 28.493 31.709 63.257 -99.200 -91.000 TRP6 83 1.020 28.142 31.973 60.947 -99.200 -91.000 PHE 107 1.000 29.028 52.858 89.386 -99.200 -91.000 TYR 117 0.840 30.706 48.209 85.364 -99.200 -91.000 PHE 137 1.000 29.804 52.674 83.966 -99.200 -91.000 HIS 143 0.900 38.091 55.723 68.126 -99.200 -91.000 HIS 151 0.900 25.777 37.152 52.445 -99.200 -91.000 HIS 156 0.900 30.758 30.344 52.353 -99.200 -91.000 TYR 161 0.840 33.068 46.337 52.824 -99.200 -91.000 TRP 166 1.040 35.015 53.141 56.815 -99.200 -91.000 TRP6 166 1.020 35.904 51.320 58.012 -99.200 -91.000 TRP 170 1.040 33.301 42.267 45.262 -99.200 -91.000 TRP6 170 1.020 31.696 41.637 46.891 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ou5A1 GLY 0 HA2 -0.09 -0.01 0.08 -0.51 4.01 3.49 2ou5A1 GLY 0 HA3 -0.02 -0.04 0.06 -0.51 4.01 3.50 2ou5A1 SER 2 HA 0.18 0.03 0.30 -0.75 4.49 4.24 2ou5A1 SER 2 HB2 0.11 -0.08 0.14 -0.04 3.95 4.08 2ou5A1 SER 2 HB3 0.09 0.11 0.12 -0.04 3.93 4.21 2ou5A1 ASP 3 H 0.14 0.17 0.15 -0.55 8.40 8.32 2ou5A1 ASP 3 HA 0.11 0.15 0.53 -0.75 4.63 4.66 2ou5A1 ASP 3 HB2 0.08 -0.04 0.12 -0.04 2.71 2.84 2ou5A1 ASP 3 HB3 0.07 0.06 0.06 -0.04 2.70 2.85 2ou5A1 THR 4 H 0.12 0.06 -0.20 -0.55 8.28 7.71 2ou5A1 THR 4 HA 0.08 0.09 0.39 -0.75 4.39 4.20 2ou5A1 THR 4 HB 0.09 0.01 0.02 -0.04 4.32 4.41 2ou5A1 THR 4 HG23 0.06 0.02 -0.10 -0.04 1.22 1.17 2ou5A1 VAL 5 H 0.20 0.13 -0.27 -0.55 8.24 7.76 2ou5A1 VAL 5 HA 0.18 0.03 0.41 -0.75 4.13 4.00 2ou5A1 VAL 5 HB 0.41 0.22 0.09 -0.04 2.12 2.80 2ou5A1 VAL 5 HG13 0.39 0.05 -0.08 -0.04 0.97 1.29 2ou5A1 VAL 5 HG23 0.13 -0.01 -0.13 -0.04 0.95 0.89 2ou5A1 LEU 6 H 0.30 0.52 -0.10 -0.55 8.37 8.55 2ou5A1 LEU 6 HA -0.11 0.01 0.35 -0.75 4.35 3.84 2ou5A1 LEU 6 HB2 0.01 0.03 0.23 -0.04 1.64 1.86 2ou5A1 LEU 6 HB3 -0.06 0.12 -0.02 -0.04 1.64 1.63 2ou5A1 LEU 6 HG -0.72 0.06 -0.03 -0.04 1.64 0.92 2ou5A1 LEU 6 HD13 -0.33 -0.00 -0.09 -0.04 0.93 0.47 2ou5A1 LEU 6 HD23 -1.64 -0.03 -0.15 -0.04 0.89 -0.98 2ou5A1 THR 7 H 0.10 0.63 -0.07 -0.55 8.28 8.40 2ou5A1 THR 7 HA 0.09 0.07 0.46 -0.75 4.39 4.26 2ou5A1 THR 7 HB 0.07 0.05 0.13 -0.04 4.32 4.54 2ou5A1 THR 7 HG23 0.05 -0.02 -0.05 -0.04 1.22 1.15 2ou5A1 GLY 8 H 0.09 0.58 -0.17 -0.55 8.43 8.39 2ou5A1 GLY 8 HA2 0.04 -0.04 0.41 -0.51 4.01 3.91 2ou5A1 GLY 8 HA3 0.06 0.08 0.31 -0.51 4.01 3.95 2ou5A1 LEU 9 H 0.09 0.52 -0.34 -0.55 8.37 8.10 2ou5A1 LEU 9 HA -0.02 0.02 0.41 -0.75 4.35 4.01 2ou5A1 LEU 9 HB2 0.19 0.08 0.05 -0.04 1.64 1.92 2ou5A1 LEU 9 HB3 0.16 0.14 0.12 -0.04 1.64 2.02 2ou5A1 LEU 9 HG 0.06 -0.06 -0.18 -0.04 1.64 1.42 2ou5A1 LEU 9 HD13 -0.09 -0.01 -0.02 -0.04 0.93 0.76 2ou5A1 LEU 9 HD23 0.29 0.00 -0.10 -0.04 0.89 1.05 2ou5A1 LEU 10 H -0.13 0.47 -0.10 -0.55 8.37 8.06 2ou5A1 LEU 10 HA -0.41 0.01 0.51 -0.75 4.35 3.71 2ou5A1 LEU 10 HB2 -1.27 0.04 0.07 -0.04 1.64 0.44 2ou5A1 LEU 10 HB3 -0.24 0.13 0.13 -0.04 1.64 1.62 2ou5A1 LEU 10 HG -0.07 -0.04 -0.16 -0.04 1.64 1.33 2ou5A1 LEU 10 HD13 -0.51 -0.03 -0.03 -0.04 0.93 0.33 2ou5A1 LEU 10 HD23 -0.10 0.01 -0.03 -0.04 0.89 0.72 2ou5A1 ASP 11 H -0.03 0.61 -0.07 -0.55 8.40 8.36 2ou5A1 ASP 11 HA 0.06 -0.02 0.47 -0.75 4.63 4.39 2ou5A1 ASP 11 HB2 0.01 0.14 0.13 -0.04 2.71 2.95 2ou5A1 ASP 11 HB3 0.03 -0.07 0.01 -0.04 2.70 2.63 2ou5A1 THR 12 H -0.08 0.48 -0.40 -0.55 8.28 7.74 2ou5A1 THR 12 HA -0.08 -0.03 0.35 -0.75 4.39 3.88 2ou5A1 THR 12 HB -0.13 0.22 0.17 -0.04 4.32 4.54 2ou5A1 THR 12 HG23 -0.14 -0.03 -0.10 -0.04 1.22 0.92 2ou5A1 VAL 13 H -0.26 0.50 -0.16 -0.55 8.24 7.78 2ou5A1 VAL 13 HA -0.50 -0.01 0.38 -0.75 4.13 3.25 2ou5A1 VAL 13 HB -0.54 0.18 0.15 -0.04 2.12 1.87 2ou5A1 VAL 13 HG13 -1.07 -0.03 -0.16 -0.04 0.97 -0.34 2ou5A1 VAL 13 HG23 -0.29 0.05 -0.01 -0.04 0.95 0.67 2ou5A1 TRP 14 H -0.23 0.53 -0.23 -0.55 7.97 7.49 2ou5A1 TRP 14 HA -0.26 0.02 0.38 -0.75 4.62 4.00 2ou5A1 TRP 14 HB2 -0.49 0.13 0.13 -0.04 3.23 2.96 2ou5A1 TRP 14 HB3 -0.29 -0.09 0.01 -0.04 3.23 2.82 2ou5A1 TRP 14 HD1 -0.80 0.16 -0.10 -0.04 7.22 6.43 2ou5A1 TRP 14 HE1 -0.68 0.01 -0.08 -0.04 10.20 9.41 2ou5A1 TRP 14 HE3 0.03 -0.04 -0.09 -0.04 7.59 7.46 2ou5A1 TRP 14 HZ2 -0.40 0.04 -0.08 -0.04 7.44 6.95 2ou5A1 TRP 14 HZ3 -0.12 -0.03 -0.27 -0.04 7.13 6.67 2ou5A1 TRP 14 HH2 -0.18 0.00 -0.28 -0.04 7.19 6.70 2ou5A1 GLN 15 H -0.05 0.57 -0.16 -0.55 8.47 8.29 2ou5A1 GLN 15 HA 0.01 -0.02 0.47 -0.75 4.36 4.07 2ou5A1 GLN 15 HB2 -0.01 0.08 0.11 -0.04 2.15 2.29 2ou5A1 GLN 15 HB3 -0.06 0.13 0.14 -0.04 2.02 2.19 2ou5A1 GLN 15 HG2 -0.02 -0.06 0.07 -0.04 2.40 2.35 2ou5A1 GLN 15 HG3 -0.01 -0.01 0.01 -0.04 2.39 2.33 2ou5A1 GLN 15 HE21 -0.02 -0.01 -0.05 -0.04 6.97 6.85 2ou5A1 GLN 15 HE22 -0.02 -0.01 -0.02 -0.04 7.69 7.59 2ou5A1 GLN 16 H -0.22 0.57 -0.20 -0.55 8.47 8.08 2ou5A1 GLN 16 HA -0.16 -0.02 0.41 -0.75 4.36 3.84 2ou5A1 GLN 16 HB2 -0.34 0.16 0.13 -0.04 2.15 2.05 2ou5A1 GLN 16 HB3 -0.07 -0.10 -0.01 -0.04 2.02 1.80 2ou5A1 GLN 16 HG2 -0.13 0.21 0.02 -0.04 2.40 2.45 2ou5A1 GLN 16 HG3 -0.14 -0.03 -0.06 -0.04 2.39 2.13 2ou5A1 GLN 16 HE21 0.07 -0.03 -0.06 -0.04 6.97 6.91 2ou5A1 GLN 16 HE22 -0.04 0.02 -0.12 -0.04 7.69 7.52 2ou5A1 PHE 17 H -0.36 0.56 -0.08 -0.55 8.34 7.91 2ou5A1 PHE 17 HA -0.17 0.05 0.42 -0.75 4.62 4.17 2ou5A1 PHE 17 HB2 -0.12 0.10 0.08 -0.04 3.15 3.17 2ou5A1 PHE 17 HB3 -0.13 -0.03 -0.08 -0.04 3.06 2.78 2ou5A1 PHE 17 HD2 -0.91 -0.02 -0.08 -0.04 7.28 6.23 2ou5A1 PHE 17 HE2 -0.96 -0.02 -0.15 -0.04 7.38 6.20 2ou5A1 PHE 17 HZ -0.43 -0.03 -0.15 -0.04 7.32 6.66 2ou5A1 GLY 18 H 0.07 0.53 -0.26 -0.55 8.43 8.22 2ou5A1 GLY 18 HA2 0.02 -0.01 0.41 -0.51 4.01 3.92 2ou5A1 GLY 18 HA3 0.01 0.05 0.30 -0.51 4.01 3.86 2ou5A1 ARG 19 H -0.15 0.66 -0.01 -0.55 8.46 8.41 2ou5A1 ARG 19 HA -0.14 -0.02 0.43 -0.75 4.34 3.85 2ou5A1 ARG 19 HB2 -0.72 0.12 0.14 -0.04 1.90 1.40 2ou5A1 ARG 19 HB3 -0.45 -0.09 0.02 -0.04 1.80 1.25 2ou5A1 ARG 19 HG2 -0.12 0.16 0.00 -0.04 1.67 1.68 2ou5A1 ARG 19 HG3 -0.05 -0.06 -0.00 -0.04 1.67 1.52 2ou5A1 ARG 19 HD2 -0.07 -0.01 -0.02 -0.04 3.22 3.07 2ou5A1 ARG 19 HD3 -0.04 -0.02 -0.01 -0.04 3.22 3.11 2ou5A1 GLY 20 H -0.29 0.52 -0.37 -0.55 8.43 7.75 2ou5A1 GLY 20 HA2 -0.13 -0.11 0.16 -0.51 4.01 3.42 2ou5A1 GLY 20 HA3 -0.09 0.12 -0.12 -0.51 4.01 3.41 2ou5A1 THR 21 H -0.08 0.37 -0.32 -0.55 8.28 7.69 2ou5A1 THR 21 HA -0.09 0.26 0.45 -0.75 4.39 4.26 2ou5A1 THR 21 HB -0.07 0.02 -0.06 -0.04 4.32 4.17 2ou5A1 THR 21 HG23 -0.08 -0.01 -0.26 -0.04 1.22 0.83 2ou5A1 LYS 22 H -0.08 0.28 -0.25 -0.55 8.42 7.82 2ou5A1 LYS 22 HA -0.04 0.12 0.58 -0.75 4.32 4.22 2ou5A1 LYS 22 HB2 -0.05 0.02 0.09 -0.04 1.87 1.88 2ou5A1 LYS 22 HB3 -0.03 -0.10 0.03 -0.04 1.79 1.65 2ou5A1 LYS 22 HG2 -0.05 0.17 0.00 -0.04 1.46 1.54 2ou5A1 LYS 22 HG3 -0.03 -0.09 -0.04 -0.04 1.46 1.26 2ou5A1 LYS 22 HD2 -0.02 -0.06 -0.01 -0.04 1.69 1.56 2ou5A1 LYS 22 HD3 -0.03 0.09 -0.11 -0.04 1.68 1.58 2ou5A1 LYS 22 HE2 -0.02 -0.03 -0.03 -0.04 2.99 2.87 2ou5A1 LYS 22 HE3 -0.02 -0.05 -0.02 -0.04 2.99 2.86 2ou5A1 ASP 23 H -0.07 0.65 0.00 -0.55 8.40 8.43 2ou5A1 ASP 23 HA -0.03 0.09 0.88 -0.75 4.63 4.82 2ou5A1 ASP 23 HB2 0.00 0.00 -0.01 -0.04 2.71 2.66 2ou5A1 ASP 23 HB3 0.02 0.09 0.15 -0.04 2.70 2.92 2ou5A1 ARG 24 H -0.10 0.19 0.13 -0.55 8.46 8.12 2ou5A1 ARG 24 HA -0.11 0.20 0.37 -0.75 4.34 4.04 2ou5A1 ARG 24 HB2 -0.31 -0.07 0.11 -0.04 1.90 1.58 2ou5A1 ARG 24 HB3 -0.19 0.01 0.03 -0.04 1.80 1.61 2ou5A1 ARG 24 HG2 -0.06 0.05 0.05 -0.04 1.67 1.67 2ou5A1 ARG 24 HG3 -0.08 0.06 0.03 -0.04 1.67 1.63 2ou5A1 ARG 24 HD2 -0.09 -0.03 0.05 -0.04 3.22 3.11 2ou5A1 ARG 24 HD3 -0.07 -0.03 0.03 -0.04 3.22 3.11 2ou5A1 HIS 25 H -0.03 -0.01 -0.39 -0.55 8.41 7.44 2ou5A1 HIS 25 HA 0.06 0.22 0.66 -0.75 4.63 4.81 2ou5A1 HIS 25 HB2 0.02 -0.03 0.00 -0.04 3.26 3.21 2ou5A1 HIS 25 HB3 0.01 -0.00 0.10 -0.04 3.20 3.27 2ou5A1 HIS 25 HD2 0.02 -0.01 -0.01 -0.04 6.97 6.92 2ou5A1 HIS 25 HE1 0.03 0.01 -0.04 -0.04 7.75 7.70 2ou5A1 HIS 26 H 0.13 0.47 -0.24 -0.55 8.41 8.23 2ou5A1 HIS 26 HA 0.00 0.08 0.46 -0.75 4.63 4.41 2ou5A1 HIS 26 HB2 -0.01 -0.04 0.02 -0.04 3.26 3.19 2ou5A1 HIS 26 HB3 -0.03 0.14 0.02 -0.04 3.20 3.28 2ou5A1 HIS 26 HD2 -0.03 0.00 -0.03 -0.04 6.97 6.87 2ou5A1 HIS 26 HE1 -0.09 0.00 -0.02 -0.04 7.75 7.60 2ou5A1 PRO 27 HA 0.07 0.15 0.50 -0.51 4.44 4.64 2ou5A1 PRO 27 HB2 -0.10 -0.04 0.01 -0.04 2.28 2.11 2ou5A1 PRO 27 HB3 -0.05 0.14 0.19 -0.04 2.02 2.26 2ou5A1 PRO 27 HG2 -0.32 -0.11 0.20 -0.04 2.03 1.76 2ou5A1 PRO 27 HG3 -0.17 0.08 0.18 -0.04 2.03 2.08 2ou5A1 PRO 27 HD2 -0.89 0.02 0.23 -0.04 3.68 2.99 2ou5A1 PRO 27 HD3 -0.28 0.21 0.28 -0.04 3.65 3.83 2ou5A1 ALA 28 H 0.66 0.06 -0.32 -0.55 8.40 8.26 2ou5A1 ALA 28 HA 0.13 0.09 0.38 -0.75 4.34 4.19 2ou5A1 ALA 28 HB3 0.08 -0.01 -0.02 -0.04 1.41 1.42 2ou5A1 ARG 29 H 0.08 0.35 -0.39 -0.55 8.46 7.95 2ou5A1 ARG 29 HA -0.12 0.25 0.69 -0.75 4.34 4.40 2ou5A1 ARG 29 HB2 -0.11 0.12 0.16 -0.04 1.90 2.03 2ou5A1 ARG 29 HB3 -0.19 0.14 0.08 -0.04 1.80 1.79 2ou5A1 ARG 29 HG2 -0.31 -0.07 0.07 -0.04 1.67 1.32 2ou5A1 ARG 29 HG3 -1.17 -0.08 -0.11 -0.04 1.67 0.27 2ou5A1 ARG 29 HD2 -0.19 -0.14 0.05 -0.04 3.22 2.90 2ou5A1 ARG 29 HD3 -0.19 0.05 0.25 -0.04 3.22 3.28 2ou5A1 HIS 30 H 0.08 0.35 -0.29 -0.55 8.41 8.01 2ou5A1 HIS 30 HA 0.09 0.45 0.98 -0.75 4.63 5.39 2ou5A1 HIS 30 HB2 0.06 -0.02 0.17 -0.04 3.26 3.43 2ou5A1 HIS 30 HB3 0.06 -0.08 0.14 -0.04 3.20 3.27 2ou5A1 HIS 30 HD2 0.05 0.02 -0.21 -0.04 6.97 6.78 2ou5A1 HIS 30 HE1 0.03 0.03 0.02 -0.04 7.75 7.77 2ou5A1 PRO 31 HA 0.13 0.10 0.63 -0.51 4.44 4.79 2ou5A1 PRO 31 HB2 0.13 -0.04 -0.09 -0.04 2.28 2.25 2ou5A1 PRO 31 HB3 0.14 -0.02 0.04 -0.04 2.02 2.13 2ou5A1 PRO 31 HG2 0.40 -0.05 -0.07 -0.04 2.03 2.27 2ou5A1 PRO 31 HG3 0.15 0.07 -0.00 -0.04 2.03 2.21 2ou5A1 PRO 31 HD2 0.27 0.21 0.06 -0.04 3.68 4.18 2ou5A1 PRO 31 HD3 0.12 0.20 -0.57 -0.04 3.65 3.37 2ou5A1 THR 32 H 0.13 0.55 0.40 -0.55 8.28 8.82 2ou5A1 THR 32 HA 0.02 0.19 0.68 -0.75 4.39 4.53 2ou5A1 THR 32 HB 0.15 -0.07 0.13 -0.04 4.32 4.49 2ou5A1 THR 32 HG23 0.02 -0.03 -0.18 -0.04 1.22 1.00 2ou5A1 LEU 33 H -0.07 0.77 0.33 -0.55 8.37 8.86 2ou5A1 LEU 33 HA -0.04 0.26 1.09 -0.75 4.35 4.91 2ou5A1 LEU 33 HB2 -0.35 -0.02 -0.04 -0.04 1.64 1.18 2ou5A1 LEU 33 HB3 -0.18 0.02 0.10 -0.04 1.64 1.54 2ou5A1 LEU 33 HG -0.04 0.05 -0.47 -0.04 1.64 1.13 2ou5A1 LEU 33 HD13 -0.06 0.03 -0.09 -0.04 0.93 0.77 2ou5A1 LEU 33 HD23 -0.12 -0.02 -0.17 -0.04 0.89 0.54 2ou5A1 ALA 34 H 0.01 0.75 0.39 -0.55 8.40 9.01 2ou5A1 ALA 34 HA 0.01 0.31 1.03 -0.75 4.34 4.94 2ou5A1 ALA 34 HB3 0.02 -0.05 0.11 -0.04 1.41 1.44 2ou5A1 THR 35 H 0.04 0.59 0.37 -0.55 8.28 8.73 2ou5A1 THR 35 HA 0.04 0.27 0.75 -0.75 4.39 4.69 2ou5A1 THR 35 HB 0.13 0.13 -0.02 -0.04 4.32 4.52 2ou5A1 THR 35 HG23 0.08 0.01 -0.19 -0.04 1.22 1.08 2ou5A1 ILE 36 H -0.01 0.33 0.12 -0.55 8.25 8.14 2ou5A1 ILE 36 HA -0.07 0.01 0.80 -0.75 4.18 4.17 2ou5A1 ILE 36 HB -0.03 0.05 0.15 -0.04 1.89 2.02 2ou5A1 ILE 36 HG12 -0.02 -0.03 -0.03 -0.04 1.49 1.36 2ou5A1 ILE 36 HG13 -0.01 0.05 -0.04 -0.04 1.21 1.17 2ou5A1 ILE 36 HG23 -0.06 0.03 -0.09 -0.04 0.93 0.77 2ou5A1 ILE 36 HD13 -0.01 -0.01 -0.02 -0.04 0.88 0.80 2ou5A1 GLY 37 H -0.19 0.47 0.13 -0.55 8.43 8.30 2ou5A1 GLY 37 HA2 -1.27 0.14 0.65 -0.51 4.01 3.01 2ou5A1 GLY 37 HA3 -0.44 -0.03 0.26 -0.51 4.01 3.29 2ou5A1 THR 38 H -0.13 0.11 0.07 -0.55 8.28 7.78 2ou5A1 THR 38 HA -0.05 0.15 0.43 -0.75 4.39 4.17 2ou5A1 THR 38 HB -0.00 0.01 -0.00 -0.04 4.32 4.29 2ou5A1 THR 38 HG23 0.04 0.01 0.00 -0.04 1.22 1.23 2ou5A1 ASP 39 H -0.06 0.09 -0.26 -0.55 8.40 7.63 2ou5A1 ASP 39 HA -0.03 0.15 0.65 -0.75 4.63 4.64 2ou5A1 ASP 39 HB2 -0.01 0.03 -0.20 -0.04 2.71 2.49 2ou5A1 ASP 39 HB3 -0.01 -0.02 0.11 -0.04 2.70 2.74 2ou5A1 GLY 40 H -0.05 0.21 -0.12 -0.55 8.43 7.92 2ou5A1 GLY 40 HA2 -0.03 0.01 0.29 -0.51 4.01 3.76 2ou5A1 GLY 40 HA3 -0.03 0.23 0.86 -0.51 4.01 4.56 2ou5A1 PRO 41 HA -0.05 0.17 0.80 -0.51 4.44 4.85 2ou5A1 PRO 41 HB2 -0.01 0.05 0.03 -0.04 2.28 2.31 2ou5A1 PRO 41 HB3 -0.02 0.01 0.11 -0.04 2.02 2.09 2ou5A1 PRO 41 HG2 -0.02 0.03 0.03 -0.04 2.03 2.03 2ou5A1 PRO 41 HG3 -0.02 0.02 0.05 -0.04 2.03 2.05 2ou5A1 PRO 41 HD2 -0.02 0.13 0.24 -0.04 3.68 3.99 2ou5A1 PRO 41 HD3 -0.02 0.09 0.17 -0.04 3.65 3.86 2ou5A1 ASP 42 H -0.01 0.68 0.39 -0.55 8.40 8.92 2ou5A1 ASP 42 HA 0.01 0.12 0.70 -0.75 4.63 4.71 2ou5A1 ASP 42 HB2 0.01 -0.02 -0.24 -0.04 2.71 2.43 2ou5A1 ASP 42 HB3 0.13 -0.03 -0.06 -0.04 2.70 2.69 2ou5A1 LEU 43 H 0.02 0.26 0.20 -0.55 8.37 8.31 2ou5A1 LEU 43 HA 0.01 0.36 0.60 -0.75 4.35 4.56 2ou5A1 LEU 43 HB2 0.00 0.00 -0.08 -0.04 1.64 1.52 2ou5A1 LEU 43 HB3 -0.00 0.03 -0.14 -0.04 1.64 1.49 2ou5A1 LEU 43 HG -0.00 0.01 -0.20 -0.04 1.64 1.41 2ou5A1 LEU 43 HD13 -0.03 -0.00 -0.13 -0.04 0.93 0.72 2ou5A1 LEU 43 HD23 -0.01 -0.01 -0.05 -0.04 0.89 0.79 2ou5A1 ARG 44 H -0.01 0.53 0.30 -0.55 8.46 8.72 2ou5A1 ARG 44 HA -0.00 0.04 0.48 -0.75 4.34 4.11 2ou5A1 ARG 44 HB2 -0.01 -0.00 0.16 -0.04 1.90 2.00 2ou5A1 ARG 44 HB3 -0.01 0.06 -0.19 -0.04 1.80 1.62 2ou5A1 ARG 44 HG2 -0.05 0.15 -0.50 -0.04 1.67 1.23 2ou5A1 ARG 44 HG3 -0.03 -0.03 -0.10 -0.04 1.67 1.47 2ou5A1 ARG 44 HD2 -0.03 0.09 0.05 -0.04 3.22 3.29 2ou5A1 ARG 44 HD3 -0.07 -0.01 -0.12 -0.04 3.22 2.98 2ou5A1 THR 45 H -0.00 0.11 0.19 -0.55 8.28 8.02 2ou5A1 THR 45 HA 0.02 0.28 0.57 -0.75 4.39 4.51 2ou5A1 THR 45 HB -0.00 -0.08 0.15 -0.04 4.32 4.35 2ou5A1 THR 45 HG23 0.05 0.04 -0.12 -0.04 1.22 1.15 2ou5A1 LEU 46 H -0.02 0.62 0.30 -0.55 8.37 8.73 2ou5A1 LEU 46 HA 0.04 0.14 0.73 -0.75 4.35 4.51 2ou5A1 LEU 46 HB2 -0.45 0.00 -0.11 -0.04 1.64 1.04 2ou5A1 LEU 46 HB3 -0.02 -0.01 0.09 -0.04 1.64 1.65 2ou5A1 LEU 46 HG -0.25 0.01 -0.30 -0.04 1.64 1.06 2ou5A1 LEU 46 HD13 -0.67 -0.02 -0.13 -0.04 0.93 0.07 2ou5A1 LEU 46 HD23 -0.06 0.05 -0.02 -0.04 0.89 0.83 2ou5A1 VAL 47 H 0.17 0.10 0.18 -0.55 8.24 8.14 2ou5A1 VAL 47 HA 0.11 0.41 0.95 -0.75 4.13 4.85 2ou5A1 VAL 47 HB 0.13 -0.10 0.19 -0.04 2.12 2.29 2ou5A1 VAL 47 HG13 -0.01 0.02 -0.14 -0.04 0.97 0.80 2ou5A1 VAL 47 HG23 0.21 -0.01 0.00 -0.04 0.95 1.11 2ou5A1 LEU 48 H 0.04 0.76 0.30 -0.55 8.37 8.92 2ou5A1 LEU 48 HA -0.27 -0.01 0.68 -0.75 4.35 3.99 2ou5A1 LEU 48 HB2 0.01 0.05 0.10 -0.04 1.64 1.76 2ou5A1 LEU 48 HB3 -0.08 0.09 0.13 -0.04 1.64 1.73 2ou5A1 LEU 48 HG -0.23 -0.07 -0.27 -0.04 1.64 1.03 2ou5A1 LEU 48 HD13 -0.56 -0.01 0.05 -0.04 0.93 0.37 2ou5A1 LEU 48 HD23 -0.10 -0.03 -0.08 -0.04 0.89 0.64 2ou5A1 ARG 49 H -0.33 0.54 0.48 -0.55 8.46 8.59 2ou5A1 ARG 49 HA -0.15 0.16 0.74 -0.75 4.34 4.33 2ou5A1 ARG 49 HB2 -0.40 0.01 -0.05 -0.04 1.90 1.42 2ou5A1 ARG 49 HB3 -0.37 -0.08 -0.01 -0.04 1.80 1.29 2ou5A1 ARG 49 HG2 -0.26 0.19 0.14 -0.04 1.67 1.70 2ou5A1 ARG 49 HG3 -1.28 -0.12 -0.06 -0.04 1.67 0.18 2ou5A1 ARG 49 HD2 -0.18 -0.06 -0.01 -0.04 3.22 2.94 2ou5A1 ARG 49 HD3 -0.11 0.11 -0.12 -0.04 3.22 3.05 2ou5A1 ALA 50 H -0.28 0.34 0.29 -0.55 8.40 8.20 2ou5A1 ALA 50 HA -0.10 0.14 0.42 -0.75 4.34 4.05 2ou5A1 ALA 50 HB3 -0.08 0.01 -0.03 -0.04 1.41 1.26 2ou5A1 ALA 51 H -0.05 0.27 0.13 -0.55 8.40 8.21 2ou5A1 ALA 51 HA -0.06 0.23 0.56 -0.75 4.34 4.32 2ou5A1 ALA 51 HB3 0.07 0.02 -0.05 -0.04 1.41 1.42 2ou5A1 SER 52 H 0.07 0.82 0.18 -0.55 8.46 8.98 2ou5A1 SER 52 HA -0.09 0.20 1.02 -0.75 4.49 4.87 2ou5A1 SER 52 HB2 -0.07 0.11 -0.08 -0.04 3.95 3.87 2ou5A1 SER 52 HB3 -0.08 0.01 0.11 -0.04 3.93 3.93 2ou5A1 HIS 53 H -0.29 0.24 0.07 -0.55 8.41 7.88 2ou5A1 HIS 53 HA -2.93 0.12 0.48 -0.75 4.63 1.54 2ou5A1 HIS 53 HB2 -0.72 0.04 0.09 -0.04 3.26 2.64 2ou5A1 HIS 53 HB3 -0.55 -0.03 0.10 -0.04 3.20 2.68 2ou5A1 HIS 53 HD2 -1.34 0.00 0.03 -0.04 6.97 5.62 2ou5A1 HIS 53 HE1 -0.16 0.00 -0.06 -0.04 7.75 7.49 2ou5A1 ALA 54 H -0.30 0.06 -0.10 -0.55 8.40 7.51 2ou5A1 ALA 54 HA -0.31 0.13 0.25 -0.75 4.34 3.65 2ou5A1 ALA 54 HB3 -0.16 0.01 0.04 -0.04 1.41 1.25 2ou5A1 GLU 55 H -0.16 -0.02 -0.26 -0.55 8.60 7.62 2ou5A1 GLU 55 HA 0.00 0.20 0.75 -0.75 4.29 4.49 2ou5A1 GLU 55 HB2 -0.06 -0.05 -0.02 -0.04 2.09 1.93 2ou5A1 GLU 55 HB3 0.02 0.05 0.05 -0.04 1.99 2.07 2ou5A1 GLU 55 HG2 -0.06 -0.11 -0.07 -0.04 2.34 2.06 2ou5A1 GLU 55 HG3 -0.02 0.01 -0.04 -0.04 2.34 2.25 2ou5A1 ALA 56 H -0.25 0.26 -0.53 -0.55 8.40 7.33 2ou5A1 ALA 56 HA -0.05 0.01 0.32 -0.75 4.34 3.87 2ou5A1 ALA 56 HB3 0.19 0.02 0.11 -0.04 1.41 1.69 2ou5A1 THR 57 H 0.02 0.29 0.03 -0.55 8.28 8.08 2ou5A1 THR 57 HA -0.03 0.44 1.11 -0.75 4.39 5.15 2ou5A1 THR 57 HB -0.20 0.02 -0.11 -0.04 4.32 3.99 2ou5A1 THR 57 HG23 -0.30 0.06 -0.27 -0.04 1.22 0.67 2ou5A1 LEU 58 H -0.12 0.55 0.32 -0.55 8.37 8.58 2ou5A1 LEU 58 HA -0.27 0.21 0.80 -0.75 4.35 4.33 2ou5A1 LEU 58 HB2 -0.20 -0.03 0.05 -0.04 1.64 1.42 2ou5A1 LEU 58 HB3 -0.55 0.08 0.04 -0.04 1.64 1.17 2ou5A1 LEU 58 HG -0.31 -0.05 -0.27 -0.04 1.64 0.97 2ou5A1 LEU 58 HD13 -0.51 0.00 -0.11 -0.04 0.93 0.27 2ou5A1 LEU 58 HD23 -0.87 0.04 -0.01 -0.04 0.89 0.01 2ou5A1 GLU 59 H -0.47 0.59 0.31 -0.55 8.60 8.48 2ou5A1 GLU 59 HA -0.20 0.33 1.05 -0.75 4.29 4.71 2ou5A1 GLU 59 HB2 -0.13 -0.04 -0.17 -0.04 2.09 1.70 2ou5A1 GLU 59 HB3 -0.20 -0.09 0.05 -0.04 1.99 1.70 2ou5A1 GLU 59 HG2 -0.11 -0.02 -0.37 -0.04 2.34 1.80 2ou5A1 GLU 59 HG3 -0.01 0.08 -0.08 -0.04 2.34 2.29 2ou5A1 PHE 60 H 0.03 0.65 0.42 -0.55 8.34 8.89 2ou5A1 PHE 60 HA -0.10 0.24 0.94 -0.75 4.62 4.95 2ou5A1 PHE 60 HB2 0.01 -0.05 0.03 -0.04 3.15 3.10 2ou5A1 PHE 60 HB3 0.02 0.07 0.07 -0.04 3.06 3.17 2ou5A1 PHE 60 HD2 -0.02 0.18 -0.25 -0.04 7.28 7.14 2ou5A1 PHE 60 HE2 -0.05 0.04 -0.25 -0.04 7.38 7.08 2ou5A1 PHE 60 HZ -0.08 -0.03 -0.18 -0.04 7.32 6.99 2ou5A1 HIS 61 H 0.17 0.29 0.26 -0.55 8.41 8.58 2ou5A1 HIS 61 HA -0.02 0.25 1.09 -0.75 4.63 5.20 2ou5A1 HIS 61 HB2 0.25 0.01 0.13 -0.04 3.26 3.62 2ou5A1 HIS 61 HB3 0.09 0.02 0.07 -0.04 3.20 3.33 2ou5A1 HIS 61 HD2 -0.09 0.15 -0.29 -0.04 6.97 6.69 2ou5A1 HIS 61 HE1 0.10 -0.00 -0.07 -0.04 7.75 7.73 2ou5A1 THR 62 H 0.13 0.57 0.32 -0.55 8.28 8.75 2ou5A1 THR 62 HA 0.29 0.19 0.74 -0.75 4.39 4.86 2ou5A1 THR 62 HB 0.12 0.03 -0.42 -0.04 4.32 4.01 2ou5A1 THR 62 HG23 0.06 0.00 -0.36 -0.04 1.22 0.88 2ou5A1 ASP 63 H 0.13 0.15 0.20 -0.55 8.40 8.33 2ou5A1 ASP 63 HA 0.30 0.22 0.72 -0.75 4.63 5.11 2ou5A1 ASP 63 HB2 0.05 0.32 0.23 -0.04 2.71 3.27 2ou5A1 ASP 63 HB3 0.05 -0.13 0.24 -0.04 2.70 2.81 2ou5A1 ALA 64 H 0.08 0.71 0.37 -0.55 8.40 9.01 2ou5A1 ALA 64 HA 0.02 0.01 0.35 -0.75 4.34 3.97 2ou5A1 ALA 64 HB3 0.01 0.01 0.07 -0.04 1.41 1.46 2ou5A1 ALA 65 H 0.04 0.07 -0.38 -0.55 8.40 7.57 2ou5A1 ALA 65 HA 0.01 0.14 0.59 -0.75 4.34 4.33 2ou5A1 ALA 65 HB3 0.02 0.00 0.02 -0.04 1.41 1.41 2ou5A1 SER 66 H 0.01 0.50 -0.27 -0.55 8.46 8.16 2ou5A1 SER 66 HA -0.02 0.21 0.52 -0.75 4.49 4.45 2ou5A1 SER 66 HB2 -0.04 -0.03 0.14 -0.04 3.95 3.98 2ou5A1 SER 66 HB3 -0.00 0.02 0.17 -0.04 3.93 4.08 2ou5A1 PRO 67 HA -0.12 0.09 0.48 -0.51 4.44 4.39 2ou5A1 PRO 67 HB2 -0.22 -0.01 0.01 -0.04 2.28 2.02 2ou5A1 PRO 67 HB3 -0.13 0.01 0.06 -0.04 2.02 1.93 2ou5A1 PRO 67 HG2 -0.04 0.05 0.05 -0.04 2.03 2.05 2ou5A1 PRO 67 HG3 -0.04 0.10 0.08 -0.04 2.03 2.13 2ou5A1 PRO 67 HD2 -0.06 0.03 0.18 -0.04 3.68 3.79 2ou5A1 PRO 67 HD3 -0.04 0.32 0.24 -0.04 3.65 4.14 2ou5A1 LYS 68 H -0.18 0.15 -0.23 -0.55 8.42 7.61 2ou5A1 LYS 68 HA -0.42 0.06 0.31 -0.75 4.32 3.52 2ou5A1 LYS 68 HB2 -0.06 0.05 -0.05 -0.04 1.87 1.77 2ou5A1 LYS 68 HB3 -0.11 0.01 -0.00 -0.04 1.79 1.65 2ou5A1 LYS 68 HG2 -0.05 -0.07 -0.08 -0.04 1.46 1.22 2ou5A1 LYS 68 HG3 -0.03 0.04 -0.31 -0.04 1.46 1.12 2ou5A1 LYS 68 HD2 -0.01 -0.00 -0.11 -0.04 1.69 1.53 2ou5A1 LYS 68 HD3 -0.05 0.03 -0.13 -0.04 1.68 1.49 2ou5A1 LYS 68 HE2 -0.03 0.08 -0.04 -0.04 2.99 2.96 2ou5A1 LYS 68 HE3 -0.05 -0.01 -0.06 -0.04 2.99 2.82 2ou5A1 VAL 69 H -0.07 0.26 -0.43 -0.55 8.24 7.45 2ou5A1 VAL 69 HA 0.00 0.03 0.31 -0.75 4.13 3.71 2ou5A1 VAL 69 HB -0.01 0.26 0.02 -0.04 2.12 2.34 2ou5A1 VAL 69 HG13 0.01 -0.01 -0.12 -0.04 0.97 0.81 2ou5A1 VAL 69 HG23 0.01 -0.04 -0.14 -0.04 0.95 0.74 2ou5A1 ALA 70 H -0.05 0.30 -0.17 -0.55 8.40 7.93 2ou5A1 ALA 70 HA 0.02 0.03 0.48 -0.75 4.34 4.12 2ou5A1 ALA 70 HB3 0.02 0.04 0.05 -0.04 1.41 1.47 2ou5A1 HIS 71 H -0.03 0.50 -0.21 -0.55 8.41 8.12 2ou5A1 HIS 71 HA 0.01 0.02 0.46 -0.75 4.63 4.36 2ou5A1 HIS 71 HB2 0.00 0.13 0.12 -0.04 3.26 3.47 2ou5A1 HIS 71 HB3 0.00 0.11 0.00 -0.04 3.20 3.27 2ou5A1 HIS 71 HD2 0.00 -0.03 -0.07 -0.04 6.97 6.83 2ou5A1 HIS 71 HE1 -0.00 -0.03 -0.13 -0.04 7.75 7.54 2ou5A1 ILE 72 H 0.08 0.39 -0.24 -0.55 8.25 7.93 2ou5A1 ILE 72 HA 0.06 0.29 0.20 -0.75 4.18 3.98 2ou5A1 ILE 72 HB 0.04 0.04 0.07 -0.04 1.89 2.00 2ou5A1 ILE 72 HG12 0.05 0.00 -0.06 -0.04 1.49 1.44 2ou5A1 ILE 72 HG13 0.07 0.04 -0.01 -0.04 1.21 1.27 2ou5A1 ILE 72 HG23 0.05 -0.04 -0.14 -0.04 0.93 0.76 2ou5A1 ILE 72 HD13 0.03 -0.04 -0.19 -0.04 0.88 0.64 2ou5A1 ARG 73 H 0.04 0.50 -0.23 -0.55 8.46 8.22 2ou5A1 ARG 73 HA 0.03 -0.04 0.36 -0.75 4.34 3.94 2ou5A1 ARG 73 HB2 0.03 0.12 0.10 -0.04 1.90 2.12 2ou5A1 ARG 73 HB3 0.02 -0.10 0.03 -0.04 1.80 1.71 2ou5A1 ARG 73 HG2 0.02 -0.08 0.01 -0.04 1.67 1.57 2ou5A1 ARG 73 HG3 0.02 0.43 0.07 -0.04 1.67 2.15 2ou5A1 ARG 73 HD2 0.01 -0.04 -0.04 -0.04 3.22 3.12 2ou5A1 ARG 73 HD3 0.01 -0.05 -0.02 -0.04 3.22 3.12 2ou5A1 ARG 74 H 0.05 0.40 -0.34 -0.55 8.46 8.02 2ou5A1 ARG 74 HA 0.02 0.02 0.61 -0.75 4.34 4.23 2ou5A1 ARG 74 HB2 0.03 0.17 0.10 -0.04 1.90 2.16 2ou5A1 ARG 74 HB3 0.01 -0.11 0.06 -0.04 1.80 1.72 2ou5A1 ASP 75 H 0.04 0.60 -0.06 -0.55 8.40 8.44 2ou5A1 ASP 75 HA 0.02 -0.01 0.65 -0.75 4.63 4.53 2ou5A1 ASP 75 HB2 0.01 0.03 -0.12 -0.04 2.71 2.59 2ou5A1 ASP 75 HB3 0.01 0.04 0.19 -0.04 2.70 2.90 2ou5A1 ALA 76 H 0.03 0.10 0.12 -0.55 8.40 8.10 2ou5A1 ALA 76 HA 0.04 0.16 0.55 -0.75 4.34 4.34 2ou5A1 ALA 76 HB3 0.03 0.01 0.16 -0.04 1.41 1.57 2ou5A1 ARG 77 H 0.03 0.01 -0.26 -0.55 8.46 7.69 2ou5A1 ARG 77 HA 0.05 0.19 0.80 -0.75 4.34 4.62 2ou5A1 ARG 77 HB2 0.02 -0.03 0.10 -0.04 1.90 1.96 2ou5A1 ARG 77 HB3 0.03 0.02 0.01 -0.04 1.80 1.83 2ou5A1 ARG 77 HG2 0.03 0.03 0.02 -0.04 1.67 1.71 2ou5A1 ARG 77 HG3 0.02 -0.08 0.06 -0.04 1.67 1.63 2ou5A1 ARG 77 HD2 0.02 -0.00 -0.00 -0.04 3.22 3.20 2ou5A1 ARG 77 HD3 0.02 -0.02 0.01 -0.04 3.22 3.19 2ou5A1 VAL 78 H 0.06 0.62 0.46 -0.55 8.24 8.83 2ou5A1 VAL 78 HA 0.04 0.22 0.91 -0.75 4.13 4.54 2ou5A1 VAL 78 HB 0.04 0.13 0.17 -0.04 2.12 2.41 2ou5A1 VAL 78 HG13 0.05 0.01 -0.28 -0.04 0.97 0.71 2ou5A1 VAL 78 HG23 0.07 -0.03 -0.22 -0.04 0.95 0.73 2ou5A1 ALA 79 H 0.04 0.48 0.37 -0.55 8.40 8.73 2ou5A1 ALA 79 HA 0.07 0.29 0.86 -0.75 4.34 4.80 2ou5A1 ALA 79 HB3 0.05 -0.02 0.06 -0.04 1.41 1.46 2ou5A1 ILE 80 H 0.09 0.58 0.39 -0.55 8.25 8.76 2ou5A1 ILE 80 HA 0.07 0.36 1.16 -0.75 4.18 5.02 2ou5A1 ILE 80 HB 0.07 -0.08 0.03 -0.04 1.89 1.87 2ou5A1 ILE 80 HG12 0.16 0.01 -0.16 -0.04 1.49 1.47 2ou5A1 ILE 80 HG13 0.05 0.10 -0.35 -0.04 1.21 0.97 2ou5A1 ILE 80 HG23 0.10 0.01 -0.14 -0.04 0.93 0.86 2ou5A1 ILE 80 HD13 0.08 -0.00 -0.28 -0.04 0.88 0.64 2ou5A1 HIS 81 H 0.15 0.57 0.39 -0.55 8.41 8.99 2ou5A1 HIS 81 HA 0.09 0.39 1.14 -0.75 4.63 5.50 2ou5A1 HIS 81 HB2 0.05 -0.02 -0.08 -0.04 3.26 3.17 2ou5A1 HIS 81 HB3 0.05 -0.02 0.09 -0.04 3.20 3.28 2ou5A1 HIS 81 HD2 0.05 -0.01 -0.06 -0.04 6.97 6.91 2ou5A1 HIS 81 HE1 0.15 -0.04 -0.13 -0.04 7.75 7.69 2ou5A1 ILE 82 H -0.31 0.59 0.37 -0.55 8.25 8.35 2ou5A1 ILE 82 HA -0.02 0.17 0.53 -0.75 4.18 4.11 2ou5A1 ILE 82 HB -0.03 -0.08 -0.00 -0.04 1.89 1.74 2ou5A1 ILE 82 HG12 0.11 0.13 -0.05 -0.04 1.49 1.63 2ou5A1 ILE 82 HG13 0.10 -0.11 -0.49 -0.04 1.21 0.67 2ou5A1 ILE 82 HG23 0.04 0.04 -0.25 -0.04 0.93 0.72 2ou5A1 ILE 82 HD13 0.22 -0.01 -0.10 -0.04 0.88 0.95 2ou5A1 TRP 83 H 0.17 0.26 0.12 -0.55 7.97 7.97 2ou5A1 TRP 83 HA -0.10 0.18 0.95 -0.75 4.62 4.89 2ou5A1 TRP 83 HB2 0.11 0.01 0.07 -0.04 3.23 3.38 2ou5A1 TRP 83 HB3 0.08 0.02 0.18 -0.04 3.23 3.46 2ou5A1 TRP 83 HD1 0.05 0.02 -0.00 -0.04 7.22 7.24 2ou5A1 TRP 83 HE1 0.02 0.00 -0.02 -0.04 10.20 10.16 2ou5A1 TRP 83 HE3 -0.02 0.12 -0.06 -0.04 7.59 7.58 2ou5A1 TRP 83 HZ2 0.02 0.02 -0.03 -0.04 7.44 7.41 2ou5A1 TRP 83 HZ3 -0.02 -0.03 -0.50 -0.04 7.13 6.54 2ou5A1 TRP 83 HH2 -0.00 0.05 -0.08 -0.04 7.19 7.11 2ou5A1 ILE 84 H -0.23 0.76 0.15 -0.55 8.25 8.39 2ou5A1 ILE 84 HA -0.47 0.19 0.89 -0.75 4.18 4.04 2ou5A1 ILE 84 HB -0.23 0.01 0.18 -0.04 1.89 1.81 2ou5A1 ILE 84 HG12 -0.10 0.03 -0.27 -0.04 1.49 1.10 2ou5A1 ILE 84 HG13 -0.10 -0.00 -0.42 -0.04 1.21 0.64 2ou5A1 ILE 84 HG23 -0.27 -0.05 0.02 -0.04 0.93 0.59 2ou5A1 ILE 84 HD13 -0.06 0.01 -0.12 -0.04 0.88 0.67 2ou5A1 PRO 85 HA -1.22 0.06 0.37 -0.51 4.44 3.14 2ou5A1 PRO 85 HB2 -0.27 0.06 0.00 -0.04 2.28 2.04 2ou5A1 PRO 85 HB3 -0.39 0.05 0.08 -0.04 2.02 1.72 2ou5A1 PRO 85 HG2 -0.36 0.02 0.11 -0.04 2.03 1.77 2ou5A1 PRO 85 HG3 -0.40 0.09 0.06 -0.04 2.03 1.74 2ou5A1 PRO 85 HD2 -0.58 0.15 0.23 -0.04 3.68 3.44 2ou5A1 PRO 85 HD3 -1.52 0.18 -0.22 -0.04 3.65 2.04 2ou5A1 LYS 86 H -0.35 0.13 -0.16 -0.55 8.42 7.49 2ou5A1 LYS 86 HA -0.13 0.12 0.37 -0.75 4.32 3.93 2ou5A1 LYS 86 HB2 -0.20 -0.02 0.04 -0.04 1.87 1.65 2ou5A1 LYS 86 HB3 -0.11 0.04 0.05 -0.04 1.79 1.72 2ou5A1 ALA 87 H -0.25 0.17 -0.33 -0.55 8.40 7.45 2ou5A1 ALA 87 HA -0.06 0.18 0.74 -0.75 4.34 4.44 2ou5A1 ALA 87 HB3 -0.12 -0.00 0.04 -0.04 1.41 1.28 2ou5A1 SER 88 H -0.16 0.37 -0.38 -0.55 8.46 7.75 2ou5A1 SER 88 HA 0.04 0.02 0.31 -0.75 4.49 4.10 2ou5A1 SER 88 HB2 0.19 0.09 -0.01 -0.04 3.95 4.18 2ou5A1 SER 88 HB3 0.13 -0.12 0.13 -0.04 3.93 4.02 2ou5A1 LEU 89 H -0.14 0.37 -0.10 -0.55 8.37 7.96 2ou5A1 LEU 89 HA 0.13 0.39 1.18 -0.75 4.35 5.30 2ou5A1 LEU 89 HB2 -0.10 -0.12 -0.01 -0.04 1.64 1.37 2ou5A1 LEU 89 HB3 -0.06 0.00 -0.18 -0.04 1.64 1.36 2ou5A1 LEU 89 HG -0.14 0.28 -0.29 -0.04 1.64 1.44 2ou5A1 LEU 89 HD13 -0.18 -0.04 -0.12 -0.04 0.93 0.55 2ou5A1 LEU 89 HD23 -0.22 0.01 -0.05 -0.04 0.89 0.60 2ou5A1 GLN 90 H 0.20 0.64 0.35 -0.55 8.47 9.12 2ou5A1 GLN 90 HA 0.26 0.24 1.05 -0.75 4.36 5.15 2ou5A1 GLN 90 HB2 0.16 -0.03 0.10 -0.04 2.15 2.33 2ou5A1 GLN 90 HB3 0.11 -0.03 0.19 -0.04 2.02 2.24 2ou5A1 GLN 90 HG2 0.10 -0.02 -0.35 -0.04 2.40 2.08 2ou5A1 GLN 90 HG3 0.05 0.08 -0.02 -0.04 2.39 2.46 2ou5A1 GLN 90 HE21 0.10 -0.01 -0.07 -0.04 6.97 6.95 2ou5A1 GLN 90 HE22 0.72 0.01 -0.08 -0.04 7.69 8.30 2ou5A1 VAL 91 H -0.07 0.70 0.34 -0.55 8.24 8.66 2ou5A1 VAL 91 HA -0.00 0.24 1.11 -0.75 4.13 4.72 2ou5A1 VAL 91 HB -0.06 -0.05 0.15 -0.04 2.12 2.11 2ou5A1 VAL 91 HG13 -0.07 -0.00 -0.18 -0.04 0.97 0.68 2ou5A1 VAL 91 HG23 -0.23 -0.00 -0.18 -0.04 0.95 0.50 2ou5A1 ARG 92 H 0.07 0.66 0.34 -0.55 8.46 8.98 2ou5A1 ARG 92 HA 0.13 0.29 1.01 -0.75 4.34 5.02 2ou5A1 ARG 92 HB2 0.10 -0.03 0.22 -0.04 1.90 2.15 2ou5A1 ARG 92 HB3 0.11 -0.00 -0.01 -0.04 1.80 1.86 2ou5A1 ARG 92 HG2 0.23 0.02 -0.02 -0.04 1.67 1.86 2ou5A1 ARG 92 HG3 0.17 -0.06 -0.31 -0.04 1.67 1.42 2ou5A1 ARG 92 HD2 0.12 -0.02 -0.09 -0.04 3.22 3.19 2ou5A1 ARG 92 HD3 0.09 0.01 -0.05 -0.04 3.22 3.23 2ou5A1 ALA 93 H 0.11 0.62 0.38 -0.55 8.40 8.96 2ou5A1 ALA 93 HA 0.13 0.28 1.21 -0.75 4.34 5.22 2ou5A1 ALA 93 HB3 0.09 -0.01 -0.02 -0.04 1.41 1.44 2ou5A1 LYS 94 H 0.14 0.43 0.39 -0.55 8.42 8.83 2ou5A1 LYS 94 HA 0.09 0.24 0.92 -0.75 4.32 4.82 2ou5A1 LYS 94 HB2 0.08 0.00 0.11 -0.04 1.87 2.02 2ou5A1 LYS 94 HB3 0.11 -0.12 0.24 -0.04 1.79 1.98 2ou5A1 LYS 94 HG2 0.08 -0.01 -0.11 -0.04 1.46 1.37 2ou5A1 LYS 94 HG3 0.06 0.11 0.10 -0.04 1.46 1.69 2ou5A1 LYS 94 HD2 0.05 -0.01 -0.01 -0.04 1.69 1.68 2ou5A1 LYS 94 HD3 0.05 -0.04 -0.04 -0.04 1.68 1.61 2ou5A1 LYS 94 HE2 0.04 0.02 -0.05 -0.04 2.99 2.96 2ou5A1 LYS 94 HE3 0.04 0.02 -0.02 -0.04 2.99 2.98 2ou5A1 ALA 95 H 0.09 0.69 0.37 -0.55 8.40 9.00 2ou5A1 ALA 95 HA 0.14 0.15 0.74 -0.75 4.34 4.61 2ou5A1 ALA 95 HB3 0.12 -0.00 -0.34 -0.04 1.41 1.15 2ou5A1 ILE 96 H 0.15 0.52 0.28 -0.55 8.25 8.65 2ou5A1 ILE 96 HA 0.08 0.28 0.92 -0.75 4.18 4.70 2ou5A1 ILE 96 HB 0.09 -0.03 0.15 -0.04 1.89 2.06 2ou5A1 ILE 96 HG12 0.07 -0.04 -0.05 -0.04 1.49 1.43 2ou5A1 ILE 96 HG13 0.03 -0.02 -0.00 -0.04 1.21 1.18 2ou5A1 ILE 96 HG23 0.04 0.01 -0.15 -0.04 0.93 0.79 2ou5A1 ILE 96 HD13 0.04 0.02 -0.05 -0.04 0.88 0.85 2ou5A1 ALA 97 H 0.08 0.69 0.26 -0.55 8.40 8.88 2ou5A1 ALA 97 HA 0.13 0.19 0.69 -0.75 4.34 4.60 2ou5A1 ALA 97 HB3 0.08 -0.00 -0.05 -0.04 1.41 1.40 2ou5A1 LYS 98 H 0.14 0.69 0.37 -0.55 8.42 9.07 2ou5A1 LYS 98 HA 0.06 0.17 0.90 -0.75 4.32 4.70 2ou5A1 LYS 98 HB2 0.14 -0.07 0.10 -0.04 1.87 2.00 2ou5A1 LYS 98 HB3 0.06 0.02 0.04 -0.04 1.79 1.87 2ou5A1 LYS 98 HG2 0.20 0.06 -0.14 -0.04 1.46 1.54 2ou5A1 LYS 98 HG3 0.07 -0.04 -0.03 -0.04 1.46 1.42 2ou5A1 ILE 99 H 0.03 0.20 0.10 -0.55 8.25 8.04 2ou5A1 ILE 99 HA 0.02 0.29 0.94 -0.75 4.18 4.69 2ou5A1 ILE 99 HB 0.01 -0.02 0.15 -0.04 1.89 2.00 2ou5A1 ILE 99 HG12 0.02 -0.01 -0.09 -0.04 1.49 1.37 2ou5A1 ILE 99 HG13 0.04 -0.06 -0.27 -0.04 1.21 0.88 2ou5A1 ILE 99 HG23 -0.00 -0.00 -0.17 -0.04 0.93 0.72 2ou5A1 ILE 99 HD13 0.02 0.01 -0.07 -0.04 0.88 0.80 2ou5A1 LEU 100 H -0.02 0.63 0.29 -0.55 8.37 8.72 2ou5A1 LEU 100 HA -0.02 0.20 0.92 -0.75 4.35 4.70 2ou5A1 LEU 100 HB2 -0.03 -0.06 0.01 -0.04 1.64 1.52 2ou5A1 LEU 100 HB3 -0.03 0.08 0.06 -0.04 1.64 1.71 2ou5A1 LEU 100 HG 0.03 -0.07 -0.40 -0.04 1.64 1.16 2ou5A1 LEU 100 HD13 0.02 -0.01 -0.08 -0.04 0.93 0.81 2ou5A1 LEU 100 HD23 0.01 0.04 -0.04 -0.04 0.89 0.85 2ou5A1 PRO 101 HA -0.09 0.12 0.58 -0.51 4.44 4.53 2ou5A1 PRO 101 HB2 -0.05 0.05 0.00 -0.04 2.28 2.24 2ou5A1 PRO 101 HB3 -0.05 0.05 0.14 -0.04 2.02 2.12 2ou5A1 PRO 101 HG2 -0.03 -0.00 0.09 -0.04 2.03 2.05 2ou5A1 PRO 101 HG3 -0.03 0.05 0.11 -0.04 2.03 2.12 2ou5A1 PRO 101 HD2 -0.03 0.06 0.21 -0.04 3.68 3.88 2ou5A1 PRO 101 HD3 -0.03 0.17 0.22 -0.04 3.65 3.97 2ou5A1 GLY 102 H -0.23 0.62 0.37 -0.55 8.43 8.64 2ou5A1 GLY 102 HA2 -0.42 0.02 0.51 -0.51 4.01 3.61 2ou5A1 GLY 102 HA3 -0.64 0.04 0.09 -0.51 4.01 2.99 2ou5A1 ASP 103 H -0.10 0.12 0.06 -0.55 8.40 7.94 2ou5A1 ASP 103 HA 0.02 0.20 0.64 -0.75 4.63 4.73 2ou5A1 ASP 103 HB2 0.01 0.12 0.11 -0.04 2.71 2.91 2ou5A1 ASP 103 HB3 0.09 -0.02 0.19 -0.04 2.70 2.92 2ou5A1 PRO 104 HA 0.14 0.09 0.36 -0.51 4.44 4.52 2ou5A1 PRO 104 HB2 0.05 0.03 0.03 -0.04 2.28 2.35 2ou5A1 PRO 104 HB3 0.03 0.07 0.11 -0.04 2.02 2.20 2ou5A1 PRO 104 HG2 0.03 -0.01 0.07 -0.04 2.03 2.09 2ou5A1 PRO 104 HG3 0.02 0.08 0.09 -0.04 2.03 2.18 2ou5A1 PRO 104 HD2 0.03 0.03 0.25 -0.04 3.68 3.94 2ou5A1 PRO 104 HD3 0.02 0.39 0.28 -0.04 3.65 4.30 2ou5A1 ASN 105 H 0.06 0.08 -0.33 -0.55 8.53 7.80 2ou5A1 ASN 105 HA 0.03 0.14 0.50 -0.75 4.76 4.69 2ou5A1 ASN 105 HB2 0.03 -0.02 0.04 -0.04 2.88 2.89 2ou5A1 ASN 105 HB3 0.02 0.06 0.02 -0.04 2.79 2.85 2ou5A1 ASN 105 HD21 0.02 0.04 -0.01 -0.04 7.03 7.04 2ou5A1 ASN 105 HD22 0.02 -0.01 0.02 -0.04 7.74 7.73 2ou5A1 LEU 106 H 0.09 0.07 -0.16 -0.55 8.37 7.82 2ou5A1 LEU 106 HA 0.03 0.11 0.51 -0.75 4.35 4.24 2ou5A1 LEU 106 HB2 0.11 -0.04 0.07 -0.04 1.64 1.74 2ou5A1 LEU 106 HB3 0.24 0.11 0.11 -0.04 1.64 2.05 2ou5A1 LEU 106 HG 0.15 0.04 -0.29 -0.04 1.64 1.50 2ou5A1 LEU 106 HD13 0.07 0.00 -0.01 -0.04 0.93 0.95 2ou5A1 LEU 106 HD23 0.26 -0.00 -0.04 -0.04 0.89 1.07 2ou5A1 PHE 107 H 0.15 0.40 -0.16 -0.55 8.34 8.17 2ou5A1 PHE 107 HA -0.59 0.06 0.38 -0.75 4.62 3.71 2ou5A1 PHE 107 HB2 -0.37 -0.02 0.01 -0.04 3.15 2.73 2ou5A1 PHE 107 HB3 -0.13 0.07 0.08 -0.04 3.06 3.03 2ou5A1 PHE 107 HD2 -0.72 -0.00 -0.07 -0.04 7.28 6.45 2ou5A1 PHE 107 HE2 -0.03 0.06 -0.01 -0.04 7.38 7.35 2ou5A1 PHE 107 HZ 0.01 0.06 -0.01 -0.04 7.32 7.34 2ou5A1 ALA 108 H 0.03 0.38 -0.31 -0.55 8.40 7.96 2ou5A1 ALA 108 HA -0.12 0.01 0.36 -0.75 4.34 3.83 2ou5A1 ALA 108 HB3 -0.00 0.01 0.12 -0.04 1.41 1.50 2ou5A1 GLN 109 H -0.08 0.23 -0.53 -0.55 8.47 7.54 2ou5A1 GLN 109 HA -0.07 0.07 0.54 -0.75 4.36 4.14 2ou5A1 GLN 109 HB2 -0.03 0.06 0.13 -0.04 2.15 2.27 2ou5A1 GLN 109 HB3 -0.03 -0.08 0.11 -0.04 2.02 1.97 2ou5A1 GLN 109 HG2 -0.02 -0.05 -0.03 -0.04 2.40 2.26 2ou5A1 GLN 109 HG3 -0.02 0.21 0.03 -0.04 2.39 2.57 2ou5A1 GLN 109 HE21 0.00 -0.06 -0.06 -0.04 6.97 6.82 2ou5A1 GLN 109 HE22 -0.00 -0.01 -0.05 -0.04 7.69 7.60 2ou5A1 LEU 110 H -0.24 0.35 -0.22 -0.55 8.37 7.71 2ou5A1 LEU 110 HA -0.09 0.03 0.55 -0.75 4.35 4.09 2ou5A1 LEU 110 HB2 -0.40 0.10 0.06 -0.04 1.64 1.35 2ou5A1 LEU 110 HB3 -0.14 -0.07 -0.03 -0.04 1.64 1.37 2ou5A1 LEU 110 HG -0.30 0.12 -0.03 -0.04 1.64 1.39 2ou5A1 LEU 110 HD13 -0.27 -0.03 -0.17 -0.04 0.93 0.43 2ou5A1 LEU 110 HD23 0.00 -0.03 -0.08 -0.04 0.89 0.74 2ou5A1 PRO 111 HA -0.06 0.11 0.52 -0.51 4.44 4.50 2ou5A1 PRO 111 HB2 -0.03 -0.19 0.05 -0.04 2.28 2.08 2ou5A1 PRO 111 HB3 -0.03 0.02 0.17 -0.04 2.02 2.14 2ou5A1 PRO 111 HG2 -0.01 0.05 0.11 -0.04 2.03 2.13 2ou5A1 PRO 111 HG3 -0.03 0.09 0.13 -0.04 2.03 2.18 2ou5A1 PRO 111 HD2 -0.03 0.06 0.22 -0.04 3.68 3.89 2ou5A1 PRO 111 HD3 -0.04 0.27 0.27 -0.04 3.65 4.11 2ou5A1 GLU 112 H -0.05 0.14 0.18 -0.55 8.60 8.32 2ou5A1 GLU 112 HA -0.08 0.17 0.49 -0.75 4.29 4.11 2ou5A1 GLU 112 HB2 -0.03 -0.04 0.11 -0.04 2.09 2.09 2ou5A1 GLU 112 HB3 -0.03 0.04 0.06 -0.04 1.99 2.02 2ou5A1 GLU 112 HG2 -0.06 -0.00 0.08 -0.04 2.34 2.32 2ou5A1 GLU 112 HG3 -0.03 -0.01 0.05 -0.04 2.34 2.31 2ou5A1 ALA 113 H -0.02 0.01 -0.11 -0.55 8.40 7.73 2ou5A1 ALA 113 HA -0.01 0.11 0.44 -0.75 4.34 4.13 2ou5A1 ALA 113 HB3 -0.01 -0.00 0.05 -0.04 1.41 1.41 2ou5A1 ALA 114 H -0.02 -0.01 -0.41 -0.55 8.40 7.42 2ou5A1 ALA 114 HA 0.04 0.11 0.46 -0.75 4.34 4.19 2ou5A1 ALA 114 HB3 0.04 0.01 0.01 -0.04 1.41 1.43 2ou5A1 ARG 115 H -0.06 0.38 -0.24 -0.55 8.46 7.99 2ou5A1 ARG 115 HA 0.08 0.00 0.15 -0.75 4.34 3.82 2ou5A1 ARG 115 HB2 -0.13 -0.02 0.11 -0.04 1.90 1.83 2ou5A1 ARG 115 HB3 -0.15 -0.09 0.06 -0.04 1.80 1.58 2ou5A1 ARG 115 HG2 -1.35 -0.06 -0.00 -0.04 1.67 0.22 2ou5A1 ARG 115 HG3 -0.41 0.04 -0.12 -0.04 1.67 1.14 2ou5A1 ARG 115 HD2 -0.44 0.20 -0.02 -0.04 3.22 2.92 2ou5A1 ARG 115 HD3 -0.24 -0.11 -0.22 -0.04 3.22 2.61 2ou5A1 ASN 117 HA -0.19 -0.08 0.32 -0.75 4.76 4.06 2ou5A1 ASN 117 HB2 -1.02 0.10 -0.17 -0.04 2.88 1.75 2ou5A1 ASN 117 HB3 -0.60 -0.11 0.05 -0.04 2.79 2.08 2ou5A1 ASN 117 HD21 0.02 -0.09 0.05 -0.04 7.03 6.97 2ou5A1 ASN 117 HD22 0.03 -0.02 0.02 -0.04 7.74 7.73 2ou5A1 TYR 118 H 0.07 0.61 1.93 -0.55 8.29 10.35 2ou5A1 TYR 118 HA 0.09 0.04 0.77 -0.75 4.56 4.71 2ou5A1 TYR 118 HB2 0.22 0.06 0.08 -0.04 3.06 3.38 2ou5A1 TYR 118 HB3 0.10 -0.21 -0.03 -0.04 2.98 2.79 2ou5A1 TYR 118 HD2 0.22 0.08 -0.24 -0.04 7.15 7.16 2ou5A1 TYR 118 HE2 0.20 -0.03 -0.28 -0.04 6.85 6.70 2ou5A1 GLN 119 H 0.07 0.21 0.00 -0.55 8.47 8.21 2ou5A1 GLN 119 HA 0.08 0.17 0.81 -0.75 4.36 4.67 2ou5A1 GLY 120 H 0.04 0.08 0.14 -0.55 8.43 8.13 2ou5A1 GLY 120 HA2 0.02 -0.06 0.32 -0.51 4.01 3.78 2ou5A1 GLY 120 HA3 0.02 0.15 0.41 -0.51 4.01 4.08 2ou5A1 PRO 121 HA 0.01 0.10 0.56 -0.51 4.44 4.59 2ou5A1 PRO 121 HB2 0.00 0.09 -0.18 -0.04 2.28 2.14 2ou5A1 PRO 121 HB3 0.00 0.03 -0.12 -0.04 2.02 1.89 2ou5A1 PRO 121 HG2 0.00 -0.01 -0.02 -0.04 2.03 1.97 2ou5A1 PRO 121 HG3 0.01 0.20 -0.15 -0.04 2.03 2.04 2ou5A1 PRO 121 HD2 0.00 0.14 0.12 -0.04 3.68 3.90 2ou5A1 PRO 121 HD3 0.01 0.03 0.14 -0.04 3.65 3.79 2ou5A1 VAL 122 H 0.01 0.10 0.11 -0.55 8.24 7.91 2ou5A1 VAL 122 HA 0.01 0.12 0.51 -0.75 4.13 4.01 2ou5A1 VAL 122 HB 0.00 -0.07 0.11 -0.04 2.12 2.12 2ou5A1 VAL 122 HG13 -0.00 0.09 -0.07 -0.04 0.97 0.95 2ou5A1 VAL 122 HG23 0.01 -0.02 0.05 -0.04 0.95 0.95 2ou5A1 PRO 123 HA -0.01 0.03 0.40 -0.51 4.44 4.35 2ou5A1 PRO 123 HB2 -0.02 -0.06 0.08 -0.04 2.28 2.24 2ou5A1 PRO 123 HB3 -0.02 0.03 0.12 -0.04 2.02 2.11 2ou5A1 PRO 123 HG2 -0.01 -0.08 0.08 -0.04 2.03 1.98 2ou5A1 PRO 123 HG3 -0.02 0.16 0.08 -0.04 2.03 2.21 2ou5A1 PRO 123 HD2 -0.00 0.07 -0.05 -0.04 3.68 3.66 2ou5A1 PRO 123 HD3 0.00 0.29 0.16 -0.04 3.65 4.07 2ou5A1 GLY 124 H -0.01 0.12 0.13 -0.55 8.43 8.13 2ou5A1 GLY 124 HA2 -0.00 -0.04 0.32 -0.51 4.01 3.78 2ou5A1 GLY 124 HA3 -0.00 0.13 0.68 -0.51 4.01 4.30 2ou5A1 THR 125 H -0.00 0.40 -0.24 -0.55 8.28 7.89 2ou5A1 THR 125 HA 0.00 0.06 0.27 -0.75 4.39 3.97 2ou5A1 THR 125 HB 0.00 -0.05 0.02 -0.04 4.32 4.25 2ou5A1 THR 125 HG23 0.00 0.04 -0.05 -0.04 1.22 1.17 2ou5A1 PRO 126 HA 0.00 -0.03 0.51 -0.51 4.44 4.41 2ou5A1 PRO 126 HB2 0.00 0.03 0.02 -0.04 2.28 2.29 2ou5A1 PRO 126 HB3 0.00 0.00 0.10 -0.04 2.02 2.08 2ou5A1 PRO 126 HG2 0.00 -0.01 0.09 -0.04 2.03 2.07 2ou5A1 PRO 126 HG3 0.00 0.05 0.11 -0.04 2.03 2.15 2ou5A1 PRO 126 HD2 0.00 0.04 0.19 -0.04 3.68 3.88 2ou5A1 PRO 126 HD3 0.00 0.21 0.25 -0.04 3.65 4.07 2ou5A1 LEU 127 H 0.00 0.04 0.15 -0.55 8.37 8.01 2ou5A1 LEU 127 HA 0.00 0.02 0.39 -0.75 4.35 4.01 2ou5A1 LEU 127 HB2 0.00 -0.02 0.09 -0.04 1.64 1.66 2ou5A1 LEU 127 HB3 0.00 -0.03 0.08 -0.04 1.64 1.65 2ou5A1 LEU 127 HG -0.00 0.03 0.04 -0.04 1.64 1.67 2ou5A1 LEU 127 HD13 -0.00 -0.01 0.02 -0.04 0.93 0.90 2ou5A1 LEU 127 HD23 0.00 0.02 -0.07 -0.04 0.89 0.80 2ou5A1 PRO 128 HA 0.00 -0.00 0.39 -0.51 4.44 4.32 2ou5A1 PRO 128 HB2 0.00 0.04 -0.02 -0.04 2.28 2.26 2ou5A1 PRO 128 HB3 0.00 -0.00 0.09 -0.04 2.02 2.07 2ou5A1 PRO 128 HG2 0.00 0.03 0.07 -0.04 2.03 2.09 2ou5A1 PRO 128 HG3 0.00 -0.00 0.08 -0.04 2.03 2.07 2ou5A1 PRO 128 HD2 0.00 0.11 0.28 -0.04 3.68 4.03 2ou5A1 PRO 128 HD3 0.00 0.06 0.20 -0.04 3.65 3.87 2ou5A1 ALA 129 H 0.00 0.16 0.13 -0.55 8.40 8.15 2ou5A1 ALA 129 HA 0.00 0.18 0.91 -0.75 4.34 4.69 2ou5A1 ALA 129 HB3 0.00 0.05 -0.11 -0.04 1.41 1.31 2ou5A1 GLU 130 H 0.00 0.14 0.11 -0.55 8.60 8.32 2ou5A1 GLU 130 HA 0.01 0.08 0.49 -0.75 4.29 4.11 2ou5A1 GLU 130 HB2 0.01 -0.02 0.09 -0.04 2.09 2.12 2ou5A1 GLU 130 HB3 0.01 -0.03 0.09 -0.04 1.99 2.01 2ou5A1 GLU 130 HG2 0.01 -0.06 -0.02 -0.04 2.34 2.22 2ou5A1 GLU 130 HG3 0.01 0.29 -0.15 -0.04 2.34 2.45 2ou5A1 PRO 131 HA 0.01 -0.00 0.05 -0.51 4.44 3.99 2ou5A1 PRO 131 HB2 0.01 -0.00 -0.06 -0.04 2.28 2.19 2ou5A1 PRO 131 HB3 0.02 -0.00 0.01 -0.04 2.02 2.01 2ou5A1 PRO 131 HG2 0.01 0.00 0.06 -0.04 2.03 2.06 2ou5A1 PRO 131 HG3 0.01 0.05 0.07 -0.04 2.03 2.12 2ou5A1 PRO 131 HD2 0.01 0.04 0.20 -0.04 3.68 3.89 2ou5A1 PRO 131 HD3 0.01 0.22 0.25 -0.04 3.65 4.09 2ou5A1 ASP 132 H 0.02 0.70 0.06 -0.55 8.40 8.63 2ou5A1 ASP 132 HA 0.01 0.05 0.69 -0.75 4.63 4.63 2ou5A1 ASP 132 HB2 0.01 -0.04 0.05 -0.04 2.71 2.70 2ou5A1 ASP 132 HB3 0.02 0.20 0.07 -0.04 2.70 2.95 2ou5A1 ALA 133 H 0.01 0.12 0.10 -0.55 8.40 8.09 2ou5A1 ALA 133 HA 0.02 0.22 0.65 -0.75 4.34 4.47 2ou5A1 ALA 133 HB3 0.01 -0.00 0.05 -0.04 1.41 1.43 2ou5A1 THR 134 H 0.01 0.04 -0.31 -0.55 8.28 7.47 2ou5A1 THR 134 HA 0.00 0.05 0.36 -0.75 4.39 4.04 2ou5A1 THR 134 HB 0.01 -0.02 -0.04 -0.04 4.32 4.22 2ou5A1 THR 134 HG23 -0.00 0.08 -0.10 -0.04 1.22 1.16 2ou5A1 PRO 135 HA -0.02 0.06 0.68 -0.51 4.44 4.65 2ou5A1 PRO 135 HB2 -0.02 0.01 0.02 -0.04 2.28 2.25 2ou5A1 PRO 135 HB3 -0.01 -0.01 0.14 -0.04 2.02 2.09 2ou5A1 PRO 135 HG2 -0.01 -0.01 0.09 -0.04 2.03 2.07 2ou5A1 PRO 135 HG3 -0.00 0.07 0.11 -0.04 2.03 2.17 2ou5A1 PRO 135 HD2 -0.01 0.05 0.20 -0.04 3.68 3.89 2ou5A1 PRO 135 HD3 -0.00 0.19 0.26 -0.04 3.65 4.05 2ou5A1 ASN 136 H -0.07 0.11 0.18 -0.55 8.53 8.21 2ou5A1 ASN 136 HA -0.14 -0.03 0.37 -0.75 4.76 4.21 2ou5A1 ASN 136 HB2 -0.04 0.16 -0.29 -0.04 2.88 2.67 2ou5A1 ASN 136 HB3 -0.06 0.02 0.13 -0.04 2.79 2.84 2ou5A1 ASN 136 HD21 -0.02 -0.01 -0.02 -0.04 7.03 6.94 2ou5A1 ASN 136 HD22 -0.03 0.06 -0.13 -0.04 7.74 7.61 2ou5A1 ARG 137 H -0.08 0.15 0.01 -0.55 8.46 7.99 2ou5A1 ARG 137 HA 0.00 0.07 0.47 -0.75 4.34 4.13 2ou5A1 ARG 137 HB2 0.04 0.25 0.19 -0.04 1.90 2.34 2ou5A1 ARG 137 HB3 0.11 -0.13 0.12 -0.04 1.80 1.87 2ou5A1 ARG 137 HG2 0.03 -0.18 -0.05 -0.04 1.67 1.43 2ou5A1 ARG 137 HG3 0.01 0.11 -0.26 -0.04 1.67 1.48 2ou5A1 ARG 137 HD2 0.02 -0.11 -0.08 -0.04 3.22 3.01 2ou5A1 ARG 137 HD3 0.04 0.15 0.00 -0.04 3.22 3.37 2ou5A1 PHE 138 H -0.15 0.02 -0.08 -0.55 8.34 7.58 2ou5A1 PHE 138 HA -0.43 0.14 0.56 -0.75 4.62 4.13 2ou5A1 PHE 138 HB2 -0.75 0.07 0.09 -0.04 3.15 2.52 2ou5A1 PHE 138 HB3 -0.51 -0.07 0.08 -0.04 3.06 2.53 2ou5A1 PHE 138 HD2 -1.09 0.02 -0.13 -0.04 7.28 6.05 2ou5A1 PHE 138 HE2 -0.20 0.01 -0.08 -0.04 7.38 7.06 2ou5A1 PHE 138 HZ -0.21 0.01 -0.11 -0.04 7.32 6.96 2ou5A1 THR 139 H -0.25 0.43 0.43 -0.55 8.28 8.35 2ou5A1 THR 139 HA -0.23 0.00 0.85 -0.75 4.39 4.25 2ou5A1 THR 139 HB -0.01 0.00 -0.05 -0.04 4.32 4.22 2ou5A1 THR 139 HG23 -0.03 0.00 -0.23 -0.04 1.22 0.93 2ou5A1 ARG 140 H -0.16 0.89 0.23 -0.55 8.46 8.87 2ou5A1 ARG 140 HA -0.03 0.21 0.94 -0.75 4.34 4.70 2ou5A1 ARG 140 HB2 -0.07 -0.05 0.02 -0.04 1.90 1.76 2ou5A1 ARG 140 HB3 -0.01 0.01 -0.07 -0.04 1.80 1.68 2ou5A1 ARG 140 HG2 -0.23 0.01 -0.09 -0.04 1.67 1.31 2ou5A1 ARG 140 HG3 -0.36 -0.09 -0.27 -0.04 1.67 0.90 2ou5A1 ARG 140 HD2 -0.15 -0.10 -0.03 -0.04 3.22 2.90 2ou5A1 ARG 140 HD3 -0.09 0.07 -0.12 -0.04 3.22 3.04 2ou5A1 LEU 141 H 0.13 0.86 0.31 -0.55 8.37 9.12 2ou5A1 LEU 141 HA 0.07 0.31 0.96 -0.75 4.35 4.93 2ou5A1 LEU 141 HB2 0.11 -0.04 -0.16 -0.04 1.64 1.51 2ou5A1 LEU 141 HB3 0.24 -0.08 0.10 -0.04 1.64 1.86 2ou5A1 LEU 141 HG 0.07 0.05 -0.13 -0.04 1.64 1.59 2ou5A1 LEU 141 HD13 0.03 -0.01 -0.19 -0.04 0.93 0.71 2ou5A1 LEU 141 HD23 0.15 0.01 -0.26 -0.04 0.89 0.75 2ou5A1 ILE 142 H 0.07 0.72 0.23 -0.55 8.25 8.71 2ou5A1 ILE 142 HA -0.03 0.18 0.94 -0.75 4.18 4.52 2ou5A1 ILE 142 HB 0.08 -0.04 0.13 -0.04 1.89 2.02 2ou5A1 ILE 142 HG12 0.02 0.04 -0.17 -0.04 1.49 1.35 2ou5A1 ILE 142 HG13 0.02 -0.01 -0.11 -0.04 1.21 1.07 2ou5A1 ILE 142 HG23 -0.25 -0.01 -0.22 -0.04 0.93 0.41 2ou5A1 ILE 142 HD13 -0.02 0.01 -0.27 -0.04 0.88 0.55 2ou5A1 CYS 143 H -0.05 0.79 0.33 -0.55 8.50 9.02 2ou5A1 CYS 143 HA 0.11 0.19 0.54 -0.75 4.58 4.66 2ou5A1 CYS 143 HB2 0.07 -0.06 0.13 -0.04 2.97 3.06 2ou5A1 CYS 143 HB3 0.10 -0.02 -0.16 -0.04 2.97 2.85 2ou5A1 HIS 144 H 0.25 0.74 0.33 -0.55 8.41 9.18 2ou5A1 HIS 144 HA 0.11 0.22 0.94 -0.75 4.63 5.15 2ou5A1 HIS 144 HB2 0.08 -0.02 0.31 -0.04 3.26 3.59 2ou5A1 HIS 144 HB3 0.10 0.03 0.09 -0.04 3.20 3.38 2ou5A1 HIS 144 HD2 0.05 0.18 0.02 -0.04 6.97 7.17 2ou5A1 HIS 144 HE1 0.03 -0.04 -0.06 -0.04 7.75 7.63 2ou5A1 LEU 145 H 0.20 0.65 0.30 -0.55 8.37 8.98 2ou5A1 LEU 145 HA 0.22 0.09 0.54 -0.75 4.35 4.45 2ou5A1 LEU 145 HB2 0.37 -0.01 0.03 -0.04 1.64 1.99 2ou5A1 LEU 145 HB3 0.30 -0.02 -0.00 -0.04 1.64 1.87 2ou5A1 LEU 145 HG 0.13 0.15 -0.16 -0.04 1.64 1.72 2ou5A1 LEU 145 HD13 -0.08 -0.02 -0.17 -0.04 0.93 0.61 2ou5A1 LEU 145 HD23 0.04 -0.04 -0.25 -0.04 0.89 0.60 2ou5A1 SER 146 H 0.24 0.58 0.43 -0.55 8.46 9.17 2ou5A1 SER 146 HA 0.12 0.15 1.01 -0.75 4.49 5.02 2ou5A1 SER 146 HB2 0.01 -0.04 0.09 -0.04 3.95 3.96 2ou5A1 SER 146 HB3 0.09 0.05 -0.01 -0.04 3.93 4.03 2ou5A1 GLU 147 H 0.27 0.34 0.36 -0.55 8.60 9.02 2ou5A1 GLU 147 HA 0.24 0.28 0.79 -0.75 4.29 4.84 2ou5A1 GLU 147 HB2 0.05 0.07 0.04 -0.04 2.09 2.21 2ou5A1 GLU 147 HB3 0.11 -0.10 0.12 -0.04 1.99 2.08 2ou5A1 GLU 147 HG2 0.14 -0.01 -0.22 -0.04 2.34 2.21 2ou5A1 GLU 147 HG3 0.09 0.04 -0.00 -0.04 2.34 2.43 2ou5A1 ILE 148 H 0.46 0.68 0.35 -0.55 8.25 9.19 2ou5A1 ILE 148 HA 0.18 0.25 0.95 -0.75 4.18 4.81 2ou5A1 ILE 148 HB 0.25 -0.06 0.09 -0.04 1.89 2.13 2ou5A1 ILE 148 HG12 0.07 0.04 -0.08 -0.04 1.49 1.48 2ou5A1 ILE 148 HG13 0.33 -0.09 -0.47 -0.04 1.21 0.94 2ou5A1 ILE 148 HG23 -0.03 -0.00 -0.19 -0.04 0.93 0.67 2ou5A1 ILE 148 HD13 -0.31 0.00 -0.14 -0.04 0.88 0.39 2ou5A1 ASP 149 H 0.13 0.85 0.36 -0.55 8.40 9.19 2ou5A1 ASP 149 HA 0.12 0.21 0.99 -0.75 4.63 5.18 2ou5A1 ASP 149 HB2 0.09 -0.05 0.02 -0.04 2.71 2.73 2ou5A1 ASP 149 HB3 0.10 0.01 0.25 -0.04 2.70 3.02 2ou5A1 VAL 150 H 0.14 0.75 0.39 -0.55 8.24 8.97 2ou5A1 VAL 150 HA 0.07 0.31 1.20 -0.75 4.13 4.95 2ou5A1 VAL 150 HB 0.18 -0.08 0.09 -0.04 2.12 2.28 2ou5A1 VAL 150 HG13 0.00 0.01 -0.17 -0.04 0.97 0.78 2ou5A1 VAL 150 HG23 0.09 0.01 -0.16 -0.04 0.95 0.85 2ou5A1 LEU 151 H 0.09 0.62 0.39 -0.55 8.37 8.93 2ou5A1 LEU 151 HA 0.14 0.22 1.14 -0.75 4.35 5.10 2ou5A1 LEU 151 HB2 0.09 -0.02 0.01 -0.04 1.64 1.68 2ou5A1 LEU 151 HB3 0.08 -0.07 0.20 -0.04 1.64 1.80 2ou5A1 LEU 151 HG -0.03 0.01 -0.33 -0.04 1.64 1.24 2ou5A1 LEU 151 HD13 0.16 0.04 -0.06 -0.04 0.93 1.03 2ou5A1 LEU 151 HD23 0.06 -0.02 -0.06 -0.04 0.89 0.84 2ou5A1 HIS 152 H 0.21 0.80 0.41 -0.55 8.41 9.29 2ou5A1 HIS 152 HA 0.04 0.32 1.02 -0.75 4.63 5.25 2ou5A1 HIS 152 HB2 0.11 -0.03 0.04 -0.04 3.26 3.35 2ou5A1 HIS 152 HB3 0.10 -0.06 0.28 -0.04 3.20 3.47 2ou5A1 HIS 152 HD2 0.10 -0.00 -0.01 -0.04 6.97 7.02 2ou5A1 HIS 152 HE1 0.01 0.05 -0.05 -0.04 7.75 7.71 2ou5A1 LEU 153 H 0.16 0.81 0.27 -0.55 8.37 9.06 2ou5A1 LEU 153 HA -0.93 0.06 0.45 -0.75 4.35 3.18 2ou5A1 LEU 153 HB2 0.09 -0.03 0.14 -0.04 1.64 1.81 2ou5A1 LEU 153 HB3 -0.13 0.00 0.17 -0.04 1.64 1.64 2ou5A1 LEU 153 HG -0.70 -0.01 -0.13 -0.04 1.64 0.76 2ou5A1 LEU 153 HD13 0.23 0.00 -0.22 -0.04 0.93 0.91 2ou5A1 LEU 153 HD23 0.04 -0.01 -0.04 -0.04 0.89 0.84 2ou5A1 THR 154 H -0.29 0.24 -0.60 -0.55 8.28 7.09 2ou5A1 THR 154 HA -0.13 0.02 0.45 -0.75 4.39 3.98 2ou5A1 THR 154 HB -0.13 -0.00 -0.01 -0.04 4.32 4.13 2ou5A1 THR 154 HG23 -0.71 -0.02 -0.02 -0.04 1.22 0.43 2ou5A1 THR 155 H -0.02 0.13 0.05 -0.55 8.28 7.88 2ou5A1 THR 155 HA 0.06 0.11 0.85 -0.75 4.39 4.66 2ou5A1 THR 155 HB 0.00 -0.02 0.18 -0.04 4.32 4.44 2ou5A1 THR 155 HG23 0.00 -0.01 -0.05 -0.04 1.22 1.12 2ou5A1 PRO 156 HA 0.03 0.06 0.30 -0.51 4.44 4.33 2ou5A1 PRO 156 HB2 -0.02 0.04 0.10 -0.04 2.28 2.35 2ou5A1 PRO 156 HB3 -0.03 -0.04 0.09 -0.04 2.02 2.00 2ou5A1 PRO 156 HG2 -0.03 0.17 -0.09 -0.04 2.03 2.04 2ou5A1 PRO 156 HG3 -0.03 -0.03 0.05 -0.04 2.03 1.98 2ou5A1 PRO 156 HD2 -0.04 0.10 0.18 -0.04 3.68 3.88 2ou5A1 PRO 156 HD3 -0.03 0.06 0.25 -0.04 3.65 3.89 2ou5A1 HIS 157 H 0.07 -0.01 0.11 -0.55 8.41 8.03 2ou5A1 HIS 157 HA -0.01 0.21 0.59 -0.75 4.63 4.67 2ou5A1 HIS 157 HB2 0.02 -0.09 0.11 -0.04 3.26 3.25 2ou5A1 HIS 157 HB3 0.05 0.02 0.02 -0.04 3.20 3.25 2ou5A1 HIS 157 HD2 0.02 -0.05 -0.03 -0.04 6.97 6.86 2ou5A1 HIS 157 HE1 0.03 0.05 -0.00 -0.04 7.75 7.78 2ou5A1 GLN 158 H 0.09 0.46 0.44 -0.55 8.47 8.91 2ou5A1 GLN 158 HA 0.09 0.13 0.43 -0.75 4.36 4.26 2ou5A1 GLN 158 HB2 -0.11 -0.04 0.17 -0.04 2.15 2.13 2ou5A1 GLN 158 HB3 -0.09 0.11 0.08 -0.04 2.02 2.08 2ou5A1 GLN 158 HG2 0.11 -0.02 0.11 -0.04 2.40 2.55 2ou5A1 GLN 158 HG3 0.39 -0.06 -0.09 -0.04 2.39 2.58 2ou5A1 GLN 158 HE21 0.08 0.12 -0.00 -0.04 6.97 7.13 2ou5A1 GLN 158 HE22 0.28 -0.09 -0.01 -0.04 7.69 7.82 2ou5A1 ARG 159 H 0.33 0.30 0.22 -0.55 8.46 8.76 2ou5A1 ARG 159 HA 0.24 0.32 1.13 -0.75 4.34 5.28 2ou5A1 ARG 159 HB2 0.16 -0.07 -0.22 -0.04 1.90 1.72 2ou5A1 ARG 159 HB3 0.16 0.13 -0.13 -0.04 1.80 1.92 2ou5A1 ARG 159 HG2 0.11 -0.04 -0.29 -0.04 1.67 1.41 2ou5A1 ARG 159 HG3 0.12 0.08 -0.18 -0.04 1.67 1.65 2ou5A1 ARG 159 HD2 0.10 -0.08 -0.12 -0.04 3.22 3.07 2ou5A1 ARG 159 HD3 0.09 0.12 -0.30 -0.04 3.22 3.09 2ou5A1 ALA 160 H 0.14 0.65 0.42 -0.55 8.40 9.07 2ou5A1 ALA 160 HA -0.12 0.26 1.14 -0.75 4.34 4.86 2ou5A1 ALA 160 HB3 -0.57 -0.01 -0.04 -0.04 1.41 0.74 2ou5A1 VAL 161 H -0.36 0.56 0.37 -0.55 8.24 8.27 2ou5A1 VAL 161 HA 0.01 0.32 1.16 -0.75 4.13 4.87 2ou5A1 VAL 161 HB -0.08 -0.03 0.11 -0.04 2.12 2.08 2ou5A1 VAL 161 HG13 0.02 -0.01 -0.15 -0.04 0.97 0.79 2ou5A1 VAL 161 HG23 0.02 -0.01 -0.16 -0.04 0.95 0.76 2ou5A1 TYR 162 H 0.29 0.77 0.41 -0.55 8.29 9.21 2ou5A1 TYR 162 HA 0.09 -0.01 0.81 -0.75 4.56 4.69 2ou5A1 TYR 162 HB2 0.44 -0.02 0.04 -0.04 3.06 3.47 2ou5A1 TYR 162 HB3 0.47 0.01 -0.09 -0.04 2.98 3.34 2ou5A1 TYR 162 HD2 0.08 0.18 -0.23 -0.04 7.15 7.14 2ou5A1 TYR 162 HE2 -0.07 0.07 -0.18 -0.04 6.85 6.62 2ou5A1 THR 163 H 0.04 0.08 0.16 -0.55 8.28 8.01 2ou5A1 THR 163 HA -0.29 0.32 0.98 -0.75 4.39 4.64 2ou5A1 THR 163 HB -0.15 -0.12 0.09 -0.04 4.32 4.10 2ou5A1 THR 163 HG23 -0.17 0.11 0.05 -0.04 1.22 1.17 2ou5A1 ALA 164 H -1.05 0.60 0.23 -0.55 8.40 7.64 2ou5A1 ALA 164 HA -1.70 -0.02 0.51 -0.75 4.34 2.37 2ou5A1 ALA 164 HB3 -0.35 0.05 0.17 -0.04 1.41 1.24 2ou5A1 PRO 165 HA -0.23 0.13 0.38 -0.51 4.44 4.21 2ou5A1 PRO 165 HB2 -0.01 0.05 0.06 -0.04 2.28 2.34 2ou5A1 PRO 165 HB3 -0.04 0.07 0.09 -0.04 2.02 2.10 2ou5A1 PRO 165 HG2 -0.06 -0.00 0.02 -0.04 2.03 1.95 2ou5A1 PRO 165 HG3 -0.05 0.05 0.08 -0.04 2.03 2.07 2ou5A1 PRO 165 HD2 -0.14 -0.02 0.19 -0.04 3.68 3.67 2ou5A1 PRO 165 HD3 -0.13 0.19 0.45 -0.04 3.65 4.13 2ou5A1 ASP 166 H -0.23 0.17 0.06 -0.55 8.40 7.85 2ou5A1 ASP 166 HA 0.07 0.00 0.58 -0.75 4.63 4.52 2ou5A1 ASP 166 HB2 0.02 0.00 0.03 -0.04 2.71 2.72 2ou5A1 ASP 166 HB3 -0.01 0.00 0.06 -0.04 2.70 2.71 2ou5A1 TRP 167 H -0.33 0.50 0.16 -0.55 7.97 7.75 2ou5A1 TRP 167 HA 0.15 -0.12 0.24 -0.75 4.62 4.13 2ou5A1 TRP 167 HB2 0.10 0.20 -0.18 -0.04 3.23 3.30 2ou5A1 TRP 167 HB3 0.15 -0.03 0.04 -0.04 3.23 3.35 2ou5A1 TRP 167 HD1 0.05 0.14 -0.34 -0.04 7.22 7.04 2ou5A1 TRP 167 HE1 0.08 0.10 -0.09 -0.04 10.20 10.25 2ou5A1 TRP 167 HE3 0.21 -0.11 -0.42 -0.04 7.59 7.24 2ou5A1 TRP 167 HZ2 0.16 0.29 -0.05 -0.04 7.44 7.79 2ou5A1 TRP 167 HZ3 0.16 -0.05 -0.38 -0.04 7.13 6.83 2ou5A1 TRP 167 HH2 0.16 -0.07 -0.62 -0.04 7.19 6.62 2ou5A1 ARG 168 H 0.10 0.00 -0.14 -0.55 8.46 7.87 2ou5A1 ARG 168 HA 0.16 0.15 0.36 -0.75 4.34 4.25 2ou5A1 ARG 168 HB2 0.02 -0.06 0.09 -0.04 1.90 1.92 2ou5A1 ARG 168 HB3 0.03 0.05 0.02 -0.04 1.80 1.87 2ou5A1 ARG 168 HG2 0.07 0.06 -0.01 -0.04 1.67 1.74 2ou5A1 ARG 168 HG3 0.06 -0.11 -0.10 -0.04 1.67 1.47 2ou5A1 ARG 168 HD2 0.01 -0.03 0.01 -0.04 3.22 3.17 2ou5A1 ARG 168 HD3 0.02 0.03 0.01 -0.04 3.22 3.23 2ou5A1 GLY 169 H 0.02 -0.10 -0.00 -0.55 8.43 7.81 2ou5A1 GLY 169 HA2 -0.47 0.18 0.41 -0.51 4.01 3.63 2ou5A1 GLY 169 HA3 -0.45 0.16 0.49 -0.51 4.01 3.70 2ou5A1 ILE 170 H -0.43 0.51 0.37 -0.55 8.25 8.15 2ou5A1 ILE 170 HA -0.27 0.11 0.45 -0.75 4.18 3.72 2ou5A1 ILE 170 HB -0.05 0.08 0.12 -0.04 1.89 2.01 2ou5A1 ILE 170 HG12 -0.11 -0.02 0.02 -0.04 1.49 1.34 2ou5A1 ILE 170 HG13 -0.12 -0.08 0.00 -0.04 1.21 0.97 2ou5A1 ILE 170 HG23 -0.07 -0.02 -0.06 -0.04 0.93 0.73 2ou5A1 ILE 170 HD13 -0.02 0.02 -0.06 -0.04 0.88 0.78 2ou5A1 TRP 171 H 0.01 0.13 0.16 -0.55 7.97 7.71 2ou5A1 TRP 171 HA -0.03 0.23 0.91 -0.75 4.62 4.97 2ou5A1 TRP 171 HB2 -0.00 -0.06 0.12 -0.04 3.23 3.25 2ou5A1 TRP 171 HB3 0.01 0.08 0.05 -0.04 3.23 3.33 2ou5A1 TRP 171 HD1 0.01 -0.05 -0.00 -0.04 7.22 7.13 2ou5A1 TRP 171 HE1 0.03 0.01 -0.12 -0.04 10.20 10.08 2ou5A1 TRP 171 HE3 0.03 0.23 -0.02 -0.04 7.59 7.78 2ou5A1 TRP 171 HZ2 0.07 0.02 0.06 -0.04 7.44 7.54 2ou5A1 TRP 171 HZ3 0.09 -0.04 -0.20 -0.04 7.13 6.93 2ou5A1 TRP 171 HH2 0.10 0.01 -0.15 -0.04 7.19 7.11 2ou5A1 VAL 172 H 0.26 0.73 0.35 -0.55 8.24 9.03 2ou5A1 VAL 172 HA 0.10 0.14 0.90 -0.75 4.13 4.51 2ou5A1 VAL 172 HB 0.06 -0.02 0.03 -0.04 2.12 2.14 2ou5A1 VAL 172 HG13 0.02 0.01 -0.28 -0.04 0.97 0.67 2ou5A1 VAL 172 HG23 0.08 0.02 -0.34 -0.04 0.95 0.67 2ou5A1 SER 173 H 0.06 0.08 0.11 -0.55 8.46 8.17 2ou5A1 SER 173 HA 0.06 0.13 0.49 -0.75 4.49 4.42 2ou5A1 SER 173 HB2 0.04 -0.06 0.11 -0.04 3.95 4.00 2ou5A1 SER 173 HB3 0.04 -0.02 0.06 -0.04 3.93 3.97 2ou5A1 PRO 174 HA 0.09 0.11 0.21 -0.51 4.44 4.34 2ou5A1 PRO 174 HB2 0.04 -0.00 0.02 -0.04 2.28 2.30 2ou5A1 PRO 174 HB3 0.14 0.02 -0.02 -0.04 2.02 2.12 2ou5A1 PRO 174 HG2 0.07 0.10 -0.05 -0.04 2.03 2.12 2ou5A1 PRO 174 HG3 0.13 0.01 -0.19 -0.04 2.03 1.94 2ou5A1 PRO 174 HD2 0.04 0.05 0.14 -0.04 3.68 3.87 2ou5A1 PRO 174 HD3 0.07 0.24 0.23 -0.04 3.65 4.15