============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 6 1.000 -13.100 123.531 48.531 -99.200 -91.000 PHE 10 1.000 -15.641 121.002 51.822 -99.200 -91.000 TYR 21 0.840 -8.686 107.988 58.748 -99.200 -91.000 HIS 23 0.900 -2.630 110.130 54.986 -99.200 -91.000 HIS 27 0.900 1.522 107.193 52.305 -99.200 -91.000 PHE 32 1.000 -4.459 104.381 59.834 -99.200 -91.000 TYR 43 0.840 -8.418 109.950 67.526 -99.200 -91.000 PHE 53 1.000 -8.483 120.693 62.116 -99.200 -91.000 PHE 58 1.000 -14.018 109.841 56.691 -99.200 -91.000 TYR 66 0.840 -15.965 103.248 60.467 -99.200 -91.000 TYR 67 0.840 -20.135 112.405 56.237 -99.200 -91.000 TYR 84 0.840 1.162 100.534 40.208 -99.200 -91.000 TYR 109 0.840 -9.244 111.012 39.255 -99.200 -91.000 TYR 112 0.840 -0.451 109.621 41.238 -99.200 -91.000 PHE 117 1.000 -0.249 102.870 33.123 -99.200 -91.000 TRP 119 1.040 -2.016 107.109 28.613 -99.200 -91.000 TRP6 119 1.020 -3.676 105.433 28.614 -99.200 -91.000 PHE 122 1.000 -3.535 114.637 32.473 -99.200 -91.000 PHE 135 1.000 -24.945 113.120 39.990 -99.200 -91.000 TRP 142 1.040 -5.412 114.553 47.212 -99.200 -91.000 TRP6 142 1.020 -7.626 115.273 47.639 -99.200 -91.000 TYR 144 0.840 -0.274 114.869 45.908 -99.200 -91.000 TYR 161 0.840 3.962 121.408 33.612 -99.200 -91.000 TYR 178 0.840 5.682 125.441 52.151 -99.200 -91.000 PHE 185 1.000 2.350 126.437 48.251 -99.200 -91.000 TRP 187 1.040 5.702 130.728 39.159 -99.200 -91.000 TRP6 187 1.020 4.824 132.551 37.913 -99.200 -91.000 PHE 211 1.000 1.785 120.862 59.369 -99.200 -91.000 TRP 233 1.040 -4.676 111.407 60.526 -99.200 -91.000 TRP6 233 1.020 -3.155 109.737 59.849 -99.200 -91.000 PHE 241 1.000 0.618 120.680 65.486 -99.200 -91.000 TYR 250 0.840 -10.104 127.675 60.925 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ok4B1 ASN 3 HA 0.02 -0.06 0.26 -0.75 4.76 4.22 1ok4B1 ASN 3 HB2 0.02 0.05 0.09 -0.04 2.88 3.00 1ok4B1 ASN 3 HB3 0.02 -0.00 0.14 -0.04 2.79 2.91 1ok4B1 ASN 3 HD21 0.01 0.07 0.02 -0.04 7.03 7.09 1ok4B1 ASN 3 HD22 0.01 0.04 0.03 -0.04 7.74 7.78 1ok4B1 LEU 4 H 0.03 0.16 0.13 -0.55 8.37 8.15 1ok4B1 LEU 4 HA 0.07 0.17 0.39 -0.75 4.35 4.22 1ok4B1 LEU 4 HB2 0.03 0.02 0.10 -0.04 1.64 1.75 1ok4B1 LEU 4 HB3 0.07 -0.06 -0.01 -0.04 1.64 1.60 1ok4B1 LEU 4 HG 0.04 0.01 -0.05 -0.04 1.64 1.59 1ok4B1 LEU 4 HD13 0.04 0.04 -0.18 -0.04 0.93 0.78 1ok4B1 LEU 4 HD23 0.07 0.01 -0.26 -0.04 0.89 0.66 1ok4B1 THR 5 H 0.04 0.10 -0.00 -0.55 8.28 7.86 1ok4B1 THR 5 HA 0.08 0.17 0.63 -0.75 4.39 4.51 1ok4B1 THR 5 HB 0.03 -0.11 0.12 -0.04 4.32 4.32 1ok4B1 THR 5 HG23 0.04 0.07 0.03 -0.04 1.22 1.33 1ok4B1 GLU 6 H 0.06 0.11 -0.31 -0.55 8.60 7.92 1ok4B1 GLU 6 HA 0.07 0.07 0.38 -0.75 4.29 4.05 1ok4B1 GLU 6 HB2 0.04 0.18 0.11 -0.04 2.09 2.38 1ok4B1 GLU 6 HB3 0.04 0.01 -0.01 -0.04 1.99 1.99 1ok4B1 GLU 6 HG2 0.03 0.02 0.02 -0.04 2.34 2.37 1ok4B1 GLU 6 HG3 0.03 -0.06 0.01 -0.04 2.34 2.29 1ok4B1 LYS 7 H 0.08 0.34 -0.13 -0.55 8.42 8.16 1ok4B1 LYS 7 HA 0.05 0.03 0.49 -0.75 4.32 4.14 1ok4B1 LYS 7 HB2 0.06 0.03 0.11 -0.04 1.87 2.03 1ok4B1 LYS 7 HB3 0.11 0.05 0.14 -0.04 1.79 2.05 1ok4B1 LYS 7 HG2 0.11 0.03 -0.12 -0.04 1.46 1.44 1ok4B1 LYS 7 HG3 0.05 -0.07 0.07 -0.04 1.46 1.47 1ok4B1 LYS 7 HD2 0.06 -0.06 0.03 -0.04 1.69 1.67 1ok4B1 LYS 7 HD3 0.09 0.10 0.03 -0.04 1.68 1.85 1ok4B1 LYS 7 HE2 0.04 -0.09 0.06 -0.04 2.99 2.95 1ok4B1 LYS 7 HE3 0.05 -0.06 0.07 -0.04 2.99 3.00 1ok4B1 PHE 8 H 0.26 0.55 -0.17 -0.55 8.34 8.43 1ok4B1 PHE 8 HA 0.28 0.02 0.41 -0.75 4.62 4.59 1ok4B1 PHE 8 HB2 0.08 -0.03 0.07 -0.04 3.15 3.23 1ok4B1 PHE 8 HB3 0.06 0.21 0.16 -0.04 3.06 3.45 1ok4B1 PHE 8 HD2 0.01 0.07 -0.21 -0.04 7.28 7.11 1ok4B1 PHE 8 HE2 -0.35 -0.03 -0.26 -0.04 7.38 6.70 1ok4B1 PHE 8 HZ -0.23 -0.07 -0.27 -0.04 7.32 6.72 1ok4B1 LEU 9 H 0.22 0.60 -0.15 -0.55 8.37 8.49 1ok4B1 LEU 9 HA 0.05 -0.02 0.23 -0.75 4.35 3.85 1ok4B1 LEU 9 HB2 0.08 0.07 0.09 -0.04 1.64 1.84 1ok4B1 LEU 9 HB3 0.06 0.01 -0.05 -0.04 1.64 1.62 1ok4B1 LEU 9 HG 0.22 0.18 0.04 -0.04 1.64 2.03 1ok4B1 LEU 9 HD13 0.07 -0.02 -0.05 -0.04 0.93 0.89 1ok4B1 LEU 9 HD23 0.18 -0.01 -0.07 -0.04 0.89 0.94 1ok4B1 ARG 10 H 0.02 0.47 -0.27 -0.55 8.46 8.13 1ok4B1 ARG 10 HA -0.03 0.02 0.36 -0.75 4.34 3.93 1ok4B1 ARG 10 HB2 0.01 0.11 0.15 -0.04 1.90 2.12 1ok4B1 ARG 10 HB3 -0.02 0.11 0.15 -0.04 1.80 2.00 1ok4B1 ARG 10 HG2 -0.04 -0.01 -0.06 -0.04 1.67 1.53 1ok4B1 ARG 10 HG3 -0.02 -0.04 0.06 -0.04 1.67 1.63 1ok4B1 ARG 10 HD2 -0.01 -0.05 -0.00 -0.04 3.22 3.12 1ok4B1 ARG 10 HD3 0.00 -0.02 -0.01 -0.04 3.22 3.15 1ok4B1 ILE 11 H -0.10 0.43 -0.22 -0.55 8.25 7.81 1ok4B1 ILE 11 HA -0.23 0.08 0.58 -0.75 4.18 3.86 1ok4B1 ILE 11 HB -0.32 0.07 0.14 -0.04 1.89 1.74 1ok4B1 ILE 11 HG12 -0.15 -0.05 0.02 -0.04 1.49 1.27 1ok4B1 ILE 11 HG13 -0.09 0.01 0.03 -0.04 1.21 1.12 1ok4B1 ILE 11 HG23 -0.82 -0.02 -0.07 -0.04 0.93 -0.02 1ok4B1 ILE 11 HD13 -0.02 -0.01 0.03 -0.04 0.88 0.83 1ok4B1 PHE 12 H -0.23 0.69 0.02 -0.55 8.34 8.27 1ok4B1 PHE 12 HA -0.18 0.24 0.72 -0.75 4.62 4.65 1ok4B1 PHE 12 HB2 -1.26 0.14 -0.09 -0.04 3.15 1.90 1ok4B1 PHE 12 HB3 -0.40 -0.15 -0.06 -0.04 3.06 2.42 1ok4B1 PHE 12 HD2 -0.43 0.06 -0.16 -0.04 7.28 6.70 1ok4B1 PHE 12 HE2 0.00 0.06 -0.32 -0.04 7.38 7.08 1ok4B1 PHE 12 HZ 0.01 -0.04 -0.46 -0.04 7.32 6.79 1ok4B1 ALA 13 H -0.08 0.39 -0.32 -0.55 8.40 7.83 1ok4B1 ALA 13 HA 0.03 0.21 0.59 -0.75 4.34 4.42 1ok4B1 ALA 13 HB3 0.05 -0.01 -0.17 -0.04 1.41 1.23 1ok4B1 ARG 14 H -0.07 0.20 -0.08 -0.55 8.46 7.96 1ok4B1 ARG 14 HA -0.04 0.12 0.37 -0.75 4.34 4.03 1ok4B1 ARG 14 HB2 -0.06 -0.05 0.14 -0.04 1.90 1.89 1ok4B1 ARG 14 HB3 -0.08 0.22 0.14 -0.04 1.80 2.04 1ok4B1 ARG 14 HG2 -0.11 -0.03 0.04 -0.04 1.67 1.54 1ok4B1 ARG 14 HG3 -0.10 -0.02 -0.19 -0.04 1.67 1.32 1ok4B1 ARG 14 HD2 -0.07 -0.04 0.02 -0.04 3.22 3.09 1ok4B1 ARG 14 HD3 -0.09 0.08 0.05 -0.04 3.22 3.21 1ok4B1 ARG 15 H -0.06 0.11 -0.29 -0.55 8.46 7.66 1ok4B1 ARG 15 HA -0.04 0.14 0.71 -0.75 4.34 4.40 1ok4B1 ARG 15 HB2 -0.16 0.06 0.05 -0.04 1.90 1.81 1ok4B1 ARG 15 HB3 -0.04 -0.05 0.15 -0.04 1.80 1.82 1ok4B1 ARG 15 HG2 -0.12 -0.01 0.03 -0.04 1.67 1.53 1ok4B1 ARG 15 HG3 -0.16 -0.02 -0.09 -0.04 1.67 1.36 1ok4B1 ARG 15 HD2 -0.55 -0.05 0.02 -0.04 3.22 2.59 1ok4B1 ARG 15 HD3 -0.30 -0.00 0.01 -0.04 3.22 2.89 1ok4B1 GLY 16 H 0.02 0.60 -0.35 -0.55 8.43 8.15 1ok4B1 GLY 16 HA2 0.03 0.03 0.32 -0.51 4.01 3.88 1ok4B1 GLY 16 HA3 0.03 0.08 0.60 -0.51 4.01 4.21 1ok4B1 LYS 17 H 0.12 0.05 -0.41 -0.55 8.42 7.62 1ok4B1 LYS 17 HA 0.07 0.31 0.71 -0.75 4.32 4.65 1ok4B1 LYS 17 HB2 0.15 -0.07 -0.11 -0.04 1.87 1.79 1ok4B1 LYS 17 HB3 0.02 -0.04 0.15 -0.04 1.79 1.87 1ok4B1 LYS 17 HG2 0.05 -0.08 -0.40 -0.04 1.46 0.99 1ok4B1 LYS 17 HG3 0.03 0.10 0.02 -0.04 1.46 1.57 1ok4B1 LYS 17 HD2 -0.00 -0.11 0.02 -0.04 1.69 1.56 1ok4B1 LYS 17 HD3 0.02 0.26 0.24 -0.04 1.68 2.16 1ok4B1 LYS 17 HE2 0.02 0.11 0.04 -0.04 2.99 3.12 1ok4B1 LYS 17 HE3 0.03 0.12 0.08 -0.04 2.99 3.18 1ok4B1 SER 18 H 0.04 0.48 0.29 -0.55 8.46 8.72 1ok4B1 SER 18 HA 0.18 0.19 1.02 -0.75 4.49 5.12 1ok4B1 SER 18 HB2 0.09 0.07 -0.28 -0.04 3.95 3.79 1ok4B1 SER 18 HB3 0.08 -0.14 -0.20 -0.04 3.93 3.62 1ok4B1 ILE 19 H 0.12 0.26 0.21 -0.55 8.25 8.29 1ok4B1 ILE 19 HA -0.18 0.26 0.84 -0.75 4.18 4.34 1ok4B1 ILE 19 HB -0.38 -0.01 0.17 -0.04 1.89 1.63 1ok4B1 ILE 19 HG12 -0.37 -0.00 -0.00 -0.04 1.49 1.08 1ok4B1 ILE 19 HG13 -0.42 -0.01 -0.35 -0.04 1.21 0.39 1ok4B1 ILE 19 HG23 -1.12 -0.02 -0.17 -0.04 0.93 -0.43 1ok4B1 ILE 19 HD13 -0.48 0.03 -0.19 -0.04 0.88 0.20 1ok4B1 ILE 20 H -0.09 0.58 0.30 -0.55 8.25 8.48 1ok4B1 ILE 20 HA 0.07 0.19 0.86 -0.75 4.18 4.55 1ok4B1 ILE 20 HB -0.02 -0.12 0.04 -0.04 1.89 1.75 1ok4B1 ILE 20 HG12 0.02 0.02 -0.31 -0.04 1.49 1.18 1ok4B1 ILE 20 HG13 -0.01 -0.02 -0.25 -0.04 1.21 0.88 1ok4B1 ILE 20 HG23 0.07 -0.03 -0.51 -0.04 0.93 0.43 1ok4B1 ILE 20 HD13 0.09 0.04 -0.28 -0.04 0.88 0.69 1ok4B1 LEU 21 H 0.16 0.82 0.26 -0.55 8.37 9.07 1ok4B1 LEU 21 HA 0.20 0.26 0.84 -0.75 4.35 4.90 1ok4B1 LEU 21 HB2 0.46 0.03 0.10 -0.04 1.64 2.19 1ok4B1 LEU 21 HB3 0.23 -0.00 0.25 -0.04 1.64 2.08 1ok4B1 LEU 21 HG 0.41 -0.03 -0.14 -0.04 1.64 1.83 1ok4B1 LEU 21 HD13 0.45 0.05 0.06 -0.04 0.93 1.45 1ok4B1 LEU 21 HD23 0.19 0.00 -0.04 -0.04 0.89 1.00 1ok4B1 ALA 22 H 0.26 0.55 0.10 -0.55 8.40 8.77 1ok4B1 ALA 22 HA 0.28 0.03 0.49 -0.75 4.34 4.39 1ok4B1 ALA 22 HB3 0.24 -0.04 -0.19 -0.04 1.41 1.39 1ok4B1 TYR 23 H 0.33 0.30 0.21 -0.55 8.29 8.58 1ok4B1 TYR 23 HA 0.31 0.02 0.76 -0.75 4.56 4.89 1ok4B1 TYR 23 HB2 0.28 0.08 -0.33 -0.04 3.06 3.05 1ok4B1 TYR 23 HB3 0.42 0.17 0.13 -0.04 2.98 3.66 1ok4B1 TYR 23 HD2 -0.35 -0.00 0.06 -0.04 7.15 6.82 1ok4B1 TYR 23 HE2 -0.76 0.08 -0.01 -0.04 6.85 6.12 1ok4B1 ASP 24 H 0.03 0.14 0.04 -0.55 8.40 8.06 1ok4B1 ASP 24 HA -0.02 0.14 0.82 -0.75 4.63 4.81 1ok4B1 ASP 24 HB2 -0.05 0.03 0.14 -0.04 2.71 2.79 1ok4B1 ASP 24 HB3 -0.00 0.04 -0.05 -0.04 2.70 2.65 1ok4B1 HIS 25 H -0.03 0.16 -0.28 -0.55 8.41 7.71 1ok4B1 HIS 25 HA 0.23 0.05 0.20 -0.75 4.63 4.35 1ok4B1 HIS 25 HB2 0.30 0.10 -0.04 -0.04 3.26 3.58 1ok4B1 HIS 25 HB3 0.20 0.07 -0.05 -0.04 3.20 3.38 1ok4B1 HIS 25 HD2 0.33 0.02 -0.09 -0.04 6.97 7.19 1ok4B1 HIS 25 HE1 0.16 -0.16 0.02 -0.04 7.75 7.72 1ok4B1 GLY 26 H -0.06 0.16 -0.35 -0.55 8.43 7.64 1ok4B1 GLY 26 HA2 -0.06 0.06 0.21 -0.51 4.01 3.71 1ok4B1 GLY 26 HA3 0.00 0.10 0.18 -0.51 4.01 3.79 1ok4B1 ILE 27 H -0.01 0.19 -0.20 -0.55 8.25 7.68 1ok4B1 ILE 27 HA -0.01 0.19 0.89 -0.75 4.18 4.49 1ok4B1 ILE 27 HB -0.03 -0.05 0.03 -0.04 1.89 1.80 1ok4B1 ILE 27 HG12 -0.04 0.14 -0.36 -0.04 1.49 1.18 1ok4B1 ILE 27 HG13 -0.03 -0.00 -0.04 -0.04 1.21 1.09 1ok4B1 ILE 27 HG23 -0.04 0.04 0.05 -0.04 0.93 0.94 1ok4B1 ILE 27 HD13 -0.05 -0.01 -0.13 -0.04 0.88 0.65 1ok4B1 GLU 28 H 0.07 0.26 0.06 -0.55 8.60 8.44 1ok4B1 GLU 28 HA -0.01 0.42 0.38 -0.75 4.29 4.33 1ok4B1 GLU 28 HB2 0.34 -0.12 0.03 -0.04 2.09 2.29 1ok4B1 GLU 28 HB3 0.11 0.01 -0.06 -0.04 1.99 2.02 1ok4B1 GLU 28 HG2 0.04 0.03 0.06 -0.04 2.34 2.43 1ok4B1 GLU 28 HG3 0.16 -0.07 -0.07 -0.04 2.34 2.32 1ok4B1 HIS 29 H 0.17 0.46 -0.04 -0.55 8.41 8.45 1ok4B1 HIS 29 HA 0.01 0.13 0.87 -0.75 4.63 4.89 1ok4B1 HIS 29 HB2 0.02 0.02 0.05 -0.04 3.26 3.31 1ok4B1 HIS 29 HB3 -0.03 -0.03 0.04 -0.04 3.20 3.13 1ok4B1 HIS 29 HD2 0.30 -0.11 -0.15 -0.04 6.97 6.96 1ok4B1 HIS 29 HE1 0.02 0.02 -0.05 -0.04 7.75 7.69 1ok4B1 GLY 30 H 0.01 0.20 -0.09 -0.55 8.43 8.00 1ok4B1 GLY 30 HA2 -0.05 0.33 0.42 -0.51 4.01 4.21 1ok4B1 GLY 30 HA3 -0.04 0.09 0.65 -0.51 4.01 4.20 1ok4B1 PRO 31 HA -0.76 0.06 0.29 -0.51 4.44 3.52 1ok4B1 PRO 31 HB2 0.08 0.06 0.02 -0.04 2.28 2.39 1ok4B1 PRO 31 HB3 0.18 0.06 0.09 -0.04 2.02 2.32 1ok4B1 PRO 31 HG2 0.01 0.06 0.04 -0.04 2.03 2.09 1ok4B1 PRO 31 HG3 0.04 0.08 0.08 -0.04 2.03 2.18 1ok4B1 PRO 31 HD2 -0.03 0.13 0.22 -0.04 3.68 3.95 1ok4B1 PRO 31 HD3 -0.02 0.20 0.25 -0.04 3.65 4.04 1ok4B1 ALA 32 H -0.09 0.19 -0.38 -0.55 8.40 7.58 1ok4B1 ALA 32 HA -0.02 0.09 0.51 -0.75 4.34 4.17 1ok4B1 ALA 32 HB3 -0.02 0.04 0.03 -0.04 1.41 1.41 1ok4B1 ASP 33 H -0.18 0.35 -0.25 -0.55 8.40 7.77 1ok4B1 ASP 33 HA 0.00 0.03 0.37 -0.75 4.63 4.29 1ok4B1 ASP 33 HB2 -0.37 0.19 -0.06 -0.04 2.71 2.43 1ok4B1 ASP 33 HB3 0.26 -0.04 -0.15 -0.04 2.70 2.72 1ok4B1 PHE 34 H -0.16 0.45 -0.64 -0.55 8.34 7.43 1ok4B1 PHE 34 HA 0.18 0.13 0.44 -0.75 4.62 4.62 1ok4B1 PHE 34 HB2 0.01 0.15 -0.02 -0.04 3.15 3.24 1ok4B1 PHE 34 HB3 -0.00 -0.05 -0.04 -0.04 3.06 2.93 1ok4B1 PHE 34 HD2 -0.11 0.05 -0.20 -0.04 7.28 6.98 1ok4B1 PHE 34 HE2 -0.47 -0.04 -0.12 -0.04 7.38 6.70 1ok4B1 PHE 34 HZ -0.46 -0.19 -0.13 -0.04 7.32 6.51 1ok4B1 MET 35 H 0.11 0.40 -0.28 -0.55 8.47 8.15 1ok4B1 MET 35 HA 0.09 0.07 0.33 -0.75 4.52 4.25 1ok4B1 MET 35 HB2 0.05 0.06 0.11 -0.04 2.15 2.33 1ok4B1 MET 35 HB3 0.04 -0.01 0.01 -0.04 2.03 2.03 1ok4B1 MET 35 HG2 0.06 0.01 -0.00 -0.04 2.63 2.66 1ok4B1 MET 35 HG3 0.03 -0.01 0.10 -0.04 2.56 2.63 1ok4B1 MET 35 HE3 0.04 0.00 0.00 -0.04 2.10 2.10 1ok4B1 ASP 36 H 0.10 0.12 -0.16 -0.55 8.40 7.91 1ok4B1 ASP 36 HA 0.04 0.01 0.36 -0.75 4.63 4.29 1ok4B1 ASP 36 HB2 0.11 -0.01 0.10 -0.04 2.71 2.87 1ok4B1 ASP 36 HB3 0.06 0.19 0.02 -0.04 2.70 2.93 1ok4B1 ASN 37 H 0.16 0.12 -0.51 -0.55 8.53 7.75 1ok4B1 ASN 37 HA 0.04 0.13 0.67 -0.75 4.76 4.86 1ok4B1 ASN 37 HB2 0.11 0.02 -0.52 -0.04 2.88 2.45 1ok4B1 ASN 37 HB3 0.22 0.13 0.05 -0.04 2.79 3.15 1ok4B1 ASN 37 HD21 0.23 -0.12 -0.03 -0.04 7.03 7.06 1ok4B1 ASN 37 HD22 0.31 0.43 0.00 -0.04 7.74 8.44 1ok4B1 PRO 38 HA 0.04 0.29 0.33 -0.51 4.44 4.58 1ok4B1 PRO 38 HB2 -0.04 -0.03 0.03 -0.04 2.28 2.20 1ok4B1 PRO 38 HB3 -0.00 0.01 0.10 -0.04 2.02 2.08 1ok4B1 PRO 38 HG2 -0.00 -0.01 0.07 -0.04 2.03 2.05 1ok4B1 PRO 38 HG3 0.02 0.16 0.09 -0.04 2.03 2.26 1ok4B1 PRO 38 HD2 -0.01 0.02 0.13 -0.04 3.68 3.78 1ok4B1 PRO 38 HD3 0.03 0.35 -0.13 -0.04 3.65 3.86 1ok4B1 ASP 39 H -0.19 0.13 -0.28 -0.55 8.40 7.52 1ok4B1 ASP 39 HA -0.28 0.05 0.44 -0.75 4.63 4.10 1ok4B1 ASP 39 HB2 -0.85 0.05 -0.02 -0.04 2.71 1.85 1ok4B1 ASP 39 HB3 -1.33 -0.02 0.01 -0.04 2.70 1.32 1ok4B1 SER 40 H -0.15 0.67 -0.18 -0.55 8.46 8.25 1ok4B1 SER 40 HA -0.07 0.01 0.42 -0.75 4.49 4.09 1ok4B1 SER 40 HB2 -0.11 -0.16 0.01 -0.04 3.95 3.65 1ok4B1 SER 40 HB3 0.29 0.22 0.15 -0.04 3.93 4.55 1ok4B1 ALA 41 H -0.30 0.49 -0.37 -0.55 8.40 7.67 1ok4B1 ALA 41 HA -1.46 0.00 0.55 -0.75 4.34 2.67 1ok4B1 ALA 41 HB3 -0.15 0.02 0.07 -0.04 1.41 1.31 1ok4B1 ASP 42 H -0.27 0.51 -0.30 -0.55 8.40 7.79 1ok4B1 ASP 42 HA -0.22 0.16 0.69 -0.75 4.63 4.51 1ok4B1 ASP 42 HB2 -0.12 0.03 0.09 -0.04 2.71 2.67 1ok4B1 ASP 42 HB3 -0.11 0.15 0.27 -0.04 2.70 2.98 1ok4B1 PRO 43 HA -0.49 0.06 0.38 -0.51 4.44 3.88 1ok4B1 PRO 43 HB2 -0.94 0.09 -0.00 -0.04 2.28 1.38 1ok4B1 PRO 43 HB3 -0.61 0.00 0.06 -0.04 2.02 1.43 1ok4B1 PRO 43 HG2 -1.43 0.06 0.08 -0.04 2.03 0.69 1ok4B1 PRO 43 HG3 -0.36 0.03 0.06 -0.04 2.03 1.72 1ok4B1 PRO 43 HD2 -0.83 0.07 0.22 -0.04 3.68 3.10 1ok4B1 PRO 43 HD3 -0.40 0.45 0.37 -0.04 3.65 4.03 1ok4B1 GLU 44 H -0.13 0.14 -0.23 -0.55 8.60 7.83 1ok4B1 GLU 44 HA 0.06 0.12 0.42 -0.75 4.29 4.14 1ok4B1 GLU 44 HB2 0.07 -0.04 0.07 -0.04 2.09 2.14 1ok4B1 GLU 44 HB3 0.06 0.03 -0.07 -0.04 1.99 1.96 1ok4B1 GLU 44 HG2 0.09 0.04 0.04 -0.04 2.34 2.48 1ok4B1 GLU 44 HG3 0.26 0.03 0.04 -0.04 2.34 2.62 1ok4B1 TYR 45 H 0.04 0.25 -0.22 -0.55 8.29 7.81 1ok4B1 TYR 45 HA -0.05 0.03 0.44 -0.75 4.56 4.23 1ok4B1 TYR 45 HB2 -0.07 -0.05 0.09 -0.04 3.06 2.99 1ok4B1 TYR 45 HB3 -0.14 0.33 0.18 -0.04 2.98 3.30 1ok4B1 TYR 45 HD2 -0.09 0.06 -0.13 -0.04 7.15 6.94 1ok4B1 TYR 45 HE2 0.04 0.01 -0.08 -0.04 6.85 6.77 1ok4B1 ILE 46 H -0.16 0.32 -0.24 -0.55 8.25 7.62 1ok4B1 ILE 46 HA -0.26 0.00 0.40 -0.75 4.18 3.56 1ok4B1 ILE 46 HB -0.34 0.16 0.14 -0.04 1.89 1.81 1ok4B1 ILE 46 HG12 -0.50 0.14 -0.02 -0.04 1.49 1.06 1ok4B1 ILE 46 HG13 -2.07 -0.01 -0.05 -0.04 1.21 -0.97 1ok4B1 ILE 46 HG23 -0.18 -0.02 -0.14 -0.04 0.93 0.55 1ok4B1 ILE 46 HD13 -0.47 -0.00 -0.02 -0.04 0.88 0.34 1ok4B1 LEU 47 H -0.00 0.55 -0.06 -0.55 8.37 8.31 1ok4B1 LEU 47 HA 0.03 0.02 0.44 -0.75 4.35 4.09 1ok4B1 LEU 47 HB2 0.06 0.12 0.12 -0.04 1.64 1.90 1ok4B1 LEU 47 HB3 0.05 -0.02 -0.04 -0.04 1.64 1.59 1ok4B1 LEU 47 HG 0.38 0.02 -0.01 -0.04 1.64 1.99 1ok4B1 LEU 47 HD13 0.25 -0.03 -0.09 -0.04 0.93 1.02 1ok4B1 LEU 47 HD23 0.20 -0.03 -0.04 -0.04 0.89 0.98 1ok4B1 ARG 48 H -0.07 0.50 -0.19 -0.55 8.46 8.15 1ok4B1 ARG 48 HA -0.06 0.06 0.51 -0.75 4.34 4.10 1ok4B1 ARG 48 HB2 -0.11 0.07 0.14 -0.04 1.90 1.96 1ok4B1 ARG 48 HB3 -0.08 -0.05 -0.03 -0.04 1.80 1.60 1ok4B1 ARG 48 HG2 -0.02 -0.01 0.02 -0.04 1.67 1.62 1ok4B1 ARG 48 HG3 -0.01 0.13 0.03 -0.04 1.67 1.78 1ok4B1 ARG 48 HD2 -0.01 -0.01 -0.01 -0.04 3.22 3.15 1ok4B1 ARG 48 HD3 0.01 -0.01 -0.03 -0.04 3.22 3.15 1ok4B1 LEU 49 H -0.28 0.60 -0.16 -0.55 8.37 7.98 1ok4B1 LEU 49 HA -0.23 -0.02 0.46 -0.75 4.35 3.80 1ok4B1 LEU 49 HB2 -0.60 0.08 0.10 -0.04 1.64 1.18 1ok4B1 LEU 49 HB3 -0.23 0.15 0.17 -0.04 1.64 1.69 1ok4B1 LEU 49 HG -0.14 0.01 -0.20 -0.04 1.64 1.27 1ok4B1 LEU 49 HD13 -0.14 -0.02 -0.16 -0.04 0.93 0.57 1ok4B1 LEU 49 HD23 0.00 -0.01 -0.12 -0.04 0.89 0.72 1ok4B1 ALA 50 H -0.09 0.60 -0.10 -0.55 8.40 8.27 1ok4B1 ALA 50 HA -0.16 -0.04 0.33 -0.75 4.34 3.71 1ok4B1 ALA 50 HB3 0.08 0.02 0.01 -0.04 1.41 1.47 1ok4B1 ARG 51 H -0.06 0.48 -0.21 -0.55 8.46 8.11 1ok4B1 ARG 51 HA -0.03 0.13 0.47 -0.75 4.34 4.15 1ok4B1 ARG 51 HB2 -0.03 0.04 0.08 -0.04 1.90 1.95 1ok4B1 ARG 51 HB3 -0.05 0.02 0.18 -0.04 1.80 1.90 1ok4B1 ARG 51 HG2 -0.04 -0.02 -0.19 -0.04 1.67 1.38 1ok4B1 ARG 51 HG3 -0.03 0.08 0.03 -0.04 1.67 1.71 1ok4B1 ARG 51 HD2 -0.03 0.00 -0.01 -0.04 3.22 3.14 1ok4B1 ARG 51 HD3 -0.03 -0.03 -0.02 -0.04 3.22 3.10 1ok4B1 ASP 52 H -0.11 0.66 -0.04 -0.55 8.40 8.37 1ok4B1 ASP 52 HA -0.07 0.03 0.31 -0.75 4.63 4.15 1ok4B1 ASP 52 HB2 -0.12 0.01 0.12 -0.04 2.71 2.68 1ok4B1 ASP 52 HB3 -0.07 -0.08 0.03 -0.04 2.70 2.54 1ok4B1 ALA 53 H -0.27 0.47 -0.30 -0.55 8.40 7.75 1ok4B1 ALA 53 HA -0.16 0.07 0.65 -0.75 4.34 4.14 1ok4B1 ALA 53 HB3 -0.78 -0.03 -0.04 -0.04 1.41 0.53 1ok4B1 GLY 54 H -0.10 0.40 -0.44 -0.55 8.43 7.75 1ok4B1 GLY 54 HA2 0.00 0.10 0.36 -0.51 4.01 3.96 1ok4B1 GLY 54 HA3 0.04 -0.03 0.46 -0.51 4.01 3.96 1ok4B1 PHE 55 H 0.04 0.34 -0.03 -0.55 8.34 8.14 1ok4B1 PHE 55 HA 0.20 0.04 0.59 -0.75 4.62 4.70 1ok4B1 PHE 55 HB2 0.06 0.01 0.09 -0.04 3.15 3.27 1ok4B1 PHE 55 HB3 0.09 -0.00 0.12 -0.04 3.06 3.23 1ok4B1 PHE 55 HD2 0.11 0.04 -0.18 -0.04 7.28 7.21 1ok4B1 PHE 55 HE2 0.01 0.00 -0.07 -0.04 7.38 7.29 1ok4B1 PHE 55 HZ -0.04 -0.09 0.02 -0.04 7.32 7.18 1ok4B1 ASP 56 H 0.21 0.47 0.39 -0.55 8.40 8.92 1ok4B1 ASP 56 HA 0.06 0.18 0.52 -0.75 4.63 4.63 1ok4B1 ASP 56 HB2 0.15 -0.06 0.12 -0.04 2.71 2.89 1ok4B1 ASP 56 HB3 0.09 -0.01 0.13 -0.04 2.70 2.86 1ok4B1 GLY 57 H 0.19 0.17 0.20 -0.55 8.43 8.44 1ok4B1 GLY 57 HA2 0.16 0.29 0.52 -0.51 4.01 4.47 1ok4B1 GLY 57 HA3 0.37 -0.01 0.23 -0.51 4.01 4.09 1ok4B1 VAL 58 H 0.06 0.63 0.28 -0.55 8.24 8.65 1ok4B1 VAL 58 HA 0.06 0.28 0.76 -0.75 4.13 4.48 1ok4B1 VAL 58 HB -0.43 -0.04 -0.05 -0.04 2.12 1.57 1ok4B1 VAL 58 HG13 0.01 0.00 -0.14 -0.04 0.97 0.80 1ok4B1 VAL 58 HG23 -0.42 0.01 -0.14 -0.04 0.95 0.35 1ok4B1 VAL 59 H 0.11 0.46 0.21 -0.55 8.24 8.47 1ok4B1 VAL 59 HA 0.06 0.47 1.03 -0.75 4.13 4.93 1ok4B1 VAL 59 HB 0.28 -0.35 0.15 -0.04 2.12 2.16 1ok4B1 VAL 59 HG13 0.23 0.01 -0.19 -0.04 0.97 0.98 1ok4B1 VAL 59 HG23 0.29 0.04 -0.31 -0.04 0.95 0.93 1ok4B1 PHE 60 H 0.10 0.54 0.20 -0.55 8.34 8.62 1ok4B1 PHE 60 HA 0.09 0.15 0.77 -0.75 4.62 4.88 1ok4B1 PHE 60 HB2 0.01 0.04 -0.04 -0.04 3.15 3.13 1ok4B1 PHE 60 HB3 0.06 0.07 -0.05 -0.04 3.06 3.10 1ok4B1 PHE 60 HD2 0.17 0.09 -0.14 -0.04 7.28 7.35 1ok4B1 PHE 60 HE2 0.15 0.01 -0.14 -0.04 7.38 7.37 1ok4B1 PHE 60 HZ 0.03 0.03 -0.11 -0.04 7.32 7.24 1ok4B1 GLN 61 H 0.09 0.11 0.15 -0.55 8.47 8.28 1ok4B1 GLN 61 HA -0.00 0.38 0.74 -0.75 4.36 4.72 1ok4B1 GLN 61 HB2 -0.02 -0.08 0.10 -0.04 2.15 2.11 1ok4B1 GLN 61 HB3 -0.03 -0.01 0.11 -0.04 2.02 2.05 1ok4B1 GLN 61 HG2 -0.03 -0.10 0.09 -0.04 2.40 2.32 1ok4B1 GLN 61 HG3 -0.04 -0.03 0.08 -0.04 2.39 2.35 1ok4B1 GLN 61 HE21 -0.16 0.48 -0.07 -0.04 6.97 7.18 1ok4B1 GLN 61 HE22 -0.11 -0.15 0.03 -0.04 7.69 7.42 1ok4B1 ARG 62 H -0.01 0.25 0.11 -0.55 8.46 8.26 1ok4B1 ARG 62 HA 0.03 0.13 0.12 -0.75 4.34 3.86 1ok4B1 ARG 62 HB2 0.00 0.07 -0.01 -0.04 1.90 1.93 1ok4B1 ARG 62 HB3 -0.01 0.04 0.04 -0.04 1.80 1.84 1ok4B1 ARG 62 HG2 -0.02 -0.05 0.05 -0.04 1.67 1.61 1ok4B1 ARG 62 HG3 -0.00 -0.02 -0.10 -0.04 1.67 1.51 1ok4B1 ARG 62 HD2 -0.02 0.18 -0.06 -0.04 3.22 3.29 1ok4B1 ARG 62 HD3 -0.01 0.01 0.01 -0.04 3.22 3.18 1ok4B1 GLY 63 H 0.00 0.06 -0.16 -0.55 8.43 7.78 1ok4B1 GLY 63 HA2 0.02 0.14 0.43 -0.51 4.01 4.09 1ok4B1 GLY 63 HA3 0.01 0.05 0.27 -0.51 4.01 3.83 1ok4B1 ILE 64 H -0.01 0.06 -0.21 -0.55 8.25 7.54 1ok4B1 ILE 64 HA 0.07 0.11 0.49 -0.75 4.18 4.10 1ok4B1 ILE 64 HB -0.24 0.03 0.11 -0.04 1.89 1.76 1ok4B1 ILE 64 HG12 -0.10 -0.12 0.04 -0.04 1.49 1.27 1ok4B1 ILE 64 HG13 -0.22 0.04 0.08 -0.04 1.21 1.06 1ok4B1 ILE 64 HG23 -0.89 0.02 -0.05 -0.04 0.93 -0.03 1ok4B1 ILE 64 HD13 -0.13 0.02 -0.03 -0.04 0.88 0.70 1ok4B1 ALA 65 H 0.09 0.42 -0.19 -0.55 8.40 8.18 1ok4B1 ALA 65 HA 0.40 -0.02 0.39 -0.75 4.34 4.35 1ok4B1 ALA 65 HB3 0.15 0.04 -0.01 -0.04 1.41 1.55 1ok4B1 GLU 66 H 0.08 0.52 -0.11 -0.55 8.60 8.54 1ok4B1 GLU 66 HA 0.07 0.09 0.29 -0.75 4.29 3.99 1ok4B1 GLU 66 HB2 0.03 -0.00 0.12 -0.04 2.09 2.20 1ok4B1 GLU 66 HB3 0.03 -0.00 0.15 -0.04 1.99 2.12 1ok4B1 GLU 66 HG2 0.01 0.03 -0.16 -0.04 2.34 2.17 1ok4B1 GLU 66 HG3 0.02 0.02 0.03 -0.04 2.34 2.37 1ok4B1 LYS 67 H 0.06 0.32 -0.22 -0.55 8.42 8.03 1ok4B1 LYS 67 HA -0.12 0.10 0.55 -0.75 4.32 4.10 1ok4B1 LYS 67 HB2 0.04 0.14 0.17 -0.04 1.87 2.17 1ok4B1 LYS 67 HB3 -0.57 -0.06 -0.01 -0.04 1.79 1.12 1ok4B1 LYS 67 HG2 -0.07 -0.07 0.03 -0.04 1.46 1.30 1ok4B1 LYS 67 HG3 -0.14 0.01 0.05 -0.04 1.46 1.35 1ok4B1 LYS 67 HD2 -0.02 -0.02 -0.14 -0.04 1.69 1.46 1ok4B1 LYS 67 HD3 0.01 0.05 0.06 -0.04 1.68 1.75 1ok4B1 LYS 67 HE2 -0.02 -0.03 -0.00 -0.04 2.99 2.89 1ok4B1 LYS 67 HE3 -0.03 0.02 -0.02 -0.04 2.99 2.92 1ok4B1 TYR 68 H 0.17 0.30 -0.17 -0.55 8.29 8.05 1ok4B1 TYR 68 HA 0.02 0.19 0.98 -0.75 4.56 5.00 1ok4B1 TYR 68 HB2 -0.10 0.13 0.01 -0.04 3.06 3.07 1ok4B1 TYR 68 HB3 0.01 -0.12 -0.10 -0.04 2.98 2.72 1ok4B1 TYR 68 HD2 -0.06 0.03 0.01 -0.04 7.15 7.08 1ok4B1 TYR 68 HE2 -0.04 -0.03 -0.00 -0.04 6.85 6.74 1ok4B1 TYR 69 H 0.34 0.46 0.20 -0.55 8.29 8.74 1ok4B1 TYR 69 HA 0.29 -0.11 0.37 -0.75 4.56 4.36 1ok4B1 TYR 69 HB2 0.35 -0.16 0.16 -0.04 3.06 3.37 1ok4B1 TYR 69 HB3 0.15 0.25 0.18 -0.04 2.98 3.53 1ok4B1 TYR 69 HD2 0.12 0.12 -0.00 -0.04 7.15 7.35 1ok4B1 TYR 69 HE2 0.01 0.19 0.03 -0.04 6.85 7.04 1ok4B1 ASP 70 H -0.44 -0.05 0.23 -0.55 8.40 7.60 1ok4B1 ASP 70 HA -0.18 0.28 0.82 -0.75 4.63 4.79 1ok4B1 ASP 70 HB2 -0.09 0.00 0.14 -0.04 2.71 2.72 1ok4B1 ASP 70 HB3 -0.05 0.13 -0.06 -0.04 2.70 2.68 1ok4B1 GLY 71 H -1.87 0.04 0.04 -0.55 8.43 6.09 1ok4B1 GLY 71 HA2 -0.39 0.08 0.28 -0.51 4.01 3.47 1ok4B1 GLY 71 HA3 -0.23 0.16 0.47 -0.51 4.01 3.90 1ok4B1 SER 72 H -0.25 -0.09 -0.19 -0.55 8.46 7.39 1ok4B1 SER 72 HA -0.06 0.18 0.28 -0.75 4.49 4.13 1ok4B1 SER 72 HB2 -0.04 0.02 0.01 -0.04 3.95 3.91 1ok4B1 SER 72 HB3 -0.07 0.03 -0.06 -0.04 3.93 3.78 1ok4B1 VAL 73 H 0.08 0.06 -0.15 -0.55 8.24 7.68 1ok4B1 VAL 73 HA 0.02 0.28 0.56 -0.75 4.13 4.24 1ok4B1 VAL 73 HB 0.09 -0.19 -0.08 -0.04 2.12 1.91 1ok4B1 VAL 73 HG13 0.08 0.06 -0.34 -0.04 0.97 0.73 1ok4B1 VAL 73 HG23 0.02 -0.01 -0.28 -0.04 0.95 0.64 1ok4B1 PRO 74 HA 0.04 0.04 0.47 -0.51 4.44 4.47 1ok4B1 PRO 74 HB2 -0.37 0.05 0.12 -0.04 2.28 2.04 1ok4B1 PRO 74 HB3 -0.50 -0.01 0.07 -0.04 2.02 1.53 1ok4B1 PRO 74 HG2 -0.30 0.27 0.17 -0.04 2.03 2.13 1ok4B1 PRO 74 HG3 -0.18 -0.01 0.09 -0.04 2.03 1.89 1ok4B1 PRO 74 HD2 -0.03 0.24 0.12 -0.04 3.68 3.97 1ok4B1 PRO 74 HD3 -0.04 0.13 0.10 -0.04 3.65 3.80 1ok4B1 LEU 75 H 0.03 0.20 0.25 -0.55 8.37 8.30 1ok4B1 LEU 75 HA -0.10 0.17 0.86 -0.75 4.35 4.53 1ok4B1 LEU 75 HB2 -1.01 0.03 -0.05 -0.04 1.64 0.57 1ok4B1 LEU 75 HB3 -0.42 0.12 0.07 -0.04 1.64 1.36 1ok4B1 LEU 75 HG -0.18 -0.10 -0.54 -0.04 1.64 0.78 1ok4B1 LEU 75 HD13 -0.30 0.01 -0.16 -0.04 0.93 0.44 1ok4B1 LEU 75 HD23 -0.53 -0.00 -0.25 -0.04 0.89 0.07 1ok4B1 ILE 76 H 0.03 0.77 0.33 -0.55 8.25 8.83 1ok4B1 ILE 76 HA 0.09 0.29 0.80 -0.75 4.18 4.60 1ok4B1 ILE 76 HB 0.11 -0.09 0.01 -0.04 1.89 1.88 1ok4B1 ILE 76 HG12 -0.23 0.08 -0.25 -0.04 1.49 1.05 1ok4B1 ILE 76 HG13 -0.07 0.03 -0.29 -0.04 1.21 0.84 1ok4B1 ILE 76 HG23 0.17 -0.03 -0.52 -0.04 0.93 0.51 1ok4B1 ILE 76 HD13 -0.22 -0.01 -0.28 -0.04 0.88 0.33 1ok4B1 LEU 77 H 0.02 0.66 0.21 -0.55 8.37 8.72 1ok4B1 LEU 77 HA 0.01 0.22 0.70 -0.75 4.35 4.53 1ok4B1 LEU 77 HB2 -0.02 0.07 0.05 -0.04 1.64 1.70 1ok4B1 LEU 77 HB3 -0.02 -0.04 0.18 -0.04 1.64 1.72 1ok4B1 LEU 77 HG -0.02 -0.04 -0.05 -0.04 1.64 1.50 1ok4B1 LEU 77 HD13 -0.02 -0.02 -0.26 -0.04 0.93 0.59 1ok4B1 LEU 77 HD23 0.02 0.03 -0.15 -0.04 0.89 0.75 1ok4B1 LYS 78 H -0.03 0.51 0.17 -0.55 8.42 8.52 1ok4B1 LYS 78 HA -0.28 0.02 0.62 -0.75 4.32 3.92 1ok4B1 LYS 78 HB2 -0.25 -0.02 -0.08 -0.04 1.87 1.48 1ok4B1 LYS 78 HB3 -0.14 -0.07 -0.07 -0.04 1.79 1.47 1ok4B1 LYS 78 HG2 -0.43 -0.09 -0.08 -0.04 1.46 0.83 1ok4B1 LYS 78 HG3 -0.37 0.22 -0.15 -0.04 1.46 1.11 1ok4B1 LYS 78 HD2 -0.78 0.03 -0.31 -0.04 1.69 0.60 1ok4B1 LYS 78 HD3 -1.66 -0.00 -0.17 -0.04 1.68 -0.20 1ok4B1 LYS 78 HE2 -1.63 -0.05 -0.21 -0.04 2.99 1.05 1ok4B1 LYS 78 HE3 -1.51 -0.03 -0.12 -0.04 2.99 1.28 1ok4B1 LEU 79 H -0.14 0.70 0.39 -0.55 8.37 8.77 1ok4B1 LEU 79 HA -0.05 0.03 0.31 -0.75 4.35 3.88 1ok4B1 LEU 79 HB2 0.11 0.03 0.19 -0.04 1.64 1.93 1ok4B1 LEU 79 HB3 0.03 0.01 0.10 -0.04 1.64 1.75 1ok4B1 LEU 79 HG -0.02 0.12 0.14 -0.04 1.64 1.84 1ok4B1 LEU 79 HD13 -0.00 -0.01 -0.05 -0.04 0.93 0.83 1ok4B1 LEU 79 HD23 -0.03 0.00 -0.27 -0.04 0.89 0.54 1ok4B1 ASN 80 H -0.25 0.09 0.04 -0.55 8.53 7.86 1ok4B1 ASN 80 HA -0.13 0.24 1.03 -0.75 4.76 5.15 1ok4B1 ASN 80 HB2 -0.29 0.03 -0.54 -0.04 2.88 2.04 1ok4B1 ASN 80 HB3 -0.20 -0.06 -0.40 -0.04 2.79 2.08 1ok4B1 ASN 80 HD21 -1.23 0.32 0.17 -0.04 7.03 6.24 1ok4B1 ASN 80 HD22 -0.85 0.44 0.02 -0.04 7.74 7.31 1ok4B1 GLY 81 H -0.16 0.49 0.14 -0.55 8.43 8.35 1ok4B1 GLY 81 HA2 -0.14 0.03 0.50 -0.51 4.01 3.89 1ok4B1 GLY 81 HA3 -0.11 0.02 0.27 -0.51 4.01 3.67 1ok4B1 LYS 82 H -0.06 0.23 0.15 -0.55 8.42 8.18 1ok4B1 LYS 82 HA -0.12 0.13 0.64 -0.75 4.32 4.21 1ok4B1 LYS 82 HB2 -0.19 0.02 0.23 -0.04 1.87 1.88 1ok4B1 LYS 82 HB3 -0.14 0.04 0.12 -0.04 1.79 1.78 1ok4B1 LYS 82 HG2 0.05 -0.13 -0.09 -0.04 1.46 1.24 1ok4B1 LYS 82 HG3 -0.02 0.07 -0.31 -0.04 1.46 1.16 1ok4B1 LYS 82 HD2 -0.11 0.10 -0.10 -0.04 1.69 1.54 1ok4B1 LYS 82 HD3 -0.08 -0.05 -0.16 -0.04 1.68 1.35 1ok4B1 LYS 82 HE2 0.01 0.08 0.03 -0.04 2.99 3.07 1ok4B1 LYS 82 HE3 0.01 -0.06 -0.06 -0.04 2.99 2.84 1ok4B1 THR 83 H -0.06 0.10 0.18 -0.55 8.28 7.95 1ok4B1 THR 83 HA -0.04 0.49 0.99 -0.75 4.39 5.07 1ok4B1 THR 83 HB -0.02 -0.02 0.16 -0.04 4.32 4.41 1ok4B1 THR 83 HG23 -0.03 0.03 -0.05 -0.04 1.22 1.14 1ok4B1 THR 84 H -0.05 0.24 0.15 -0.55 8.28 8.07 1ok4B1 THR 84 HA -0.04 0.19 0.74 -0.75 4.39 4.53 1ok4B1 THR 84 HB -0.05 0.00 0.13 -0.04 4.32 4.36 1ok4B1 THR 84 HG23 -0.21 0.11 0.15 -0.04 1.22 1.22 1ok4B1 LEU 85 H 0.00 -0.00 -0.12 -0.55 8.37 7.70 1ok4B1 LEU 85 HA -0.00 0.13 0.54 -0.75 4.35 4.26 1ok4B1 LEU 85 HB2 0.02 -0.05 0.01 -0.04 1.64 1.58 1ok4B1 LEU 85 HB3 0.01 0.02 0.04 -0.04 1.64 1.67 1ok4B1 LEU 85 HG -0.00 -0.06 0.03 -0.04 1.64 1.57 1ok4B1 LEU 85 HD13 0.00 0.00 0.01 -0.04 0.93 0.90 1ok4B1 LEU 85 HD23 -0.01 0.02 -0.00 -0.04 0.89 0.86 1ok4B1 TYR 86 H 0.12 0.08 -0.49 -0.55 8.29 7.45 1ok4B1 TYR 86 HA -0.03 -0.02 0.44 -0.75 4.56 4.20 1ok4B1 TYR 86 HB2 -0.05 -0.09 0.09 -0.04 3.06 2.97 1ok4B1 TYR 86 HB3 -0.06 0.26 0.12 -0.04 2.98 3.26 1ok4B1 TYR 86 HD2 -0.05 0.05 -0.06 -0.04 7.15 7.04 1ok4B1 TYR 86 HE2 -0.02 0.06 -0.24 -0.04 6.85 6.62 1ok4B1 ASN 87 H -0.52 -0.00 0.19 -0.55 8.53 7.64 1ok4B1 ASN 87 HA -0.25 0.29 0.90 -0.75 4.76 4.94 1ok4B1 ASN 87 HB2 -0.14 0.08 0.01 -0.04 2.88 2.78 1ok4B1 ASN 87 HB3 -0.21 -0.06 0.02 -0.04 2.79 2.50 1ok4B1 ASN 87 HD21 -0.08 -0.04 0.05 -0.04 7.03 6.92 1ok4B1 ASN 87 HD22 -0.10 0.10 0.06 -0.04 7.74 7.75 1ok4B1 GLY 88 H -1.67 -0.06 0.02 -0.55 8.43 6.17 1ok4B1 GLY 88 HA2 -0.19 0.07 0.43 -0.51 4.01 3.82 1ok4B1 GLY 88 HA3 -0.20 -0.01 0.35 -0.51 4.01 3.64 1ok4B1 GLU 89 H 0.07 0.04 0.13 -0.55 8.60 8.29 1ok4B1 GLU 89 HA -0.00 0.14 0.60 -0.75 4.29 4.28 1ok4B1 GLU 89 HB2 -0.18 0.01 0.15 -0.04 2.09 2.03 1ok4B1 GLU 89 HB3 -0.05 -0.16 0.13 -0.04 1.99 1.87 1ok4B1 GLU 89 HG2 -0.08 0.08 0.12 -0.04 2.34 2.41 1ok4B1 GLU 89 HG3 -0.14 -0.01 0.16 -0.04 2.34 2.31 1ok4B1 PRO 90 HA 0.02 0.08 0.22 -0.51 4.44 4.24 1ok4B1 PRO 90 HB2 -0.29 -0.00 0.00 -0.04 2.28 1.95 1ok4B1 PRO 90 HB3 -0.73 0.06 -0.04 -0.04 2.02 1.27 1ok4B1 PRO 90 HG2 -0.11 0.06 -0.30 -0.04 2.03 1.64 1ok4B1 PRO 90 HG3 -0.14 0.12 -0.01 -0.04 2.03 1.95 1ok4B1 PRO 90 HD2 -0.01 -0.08 0.22 -0.04 3.68 3.76 1ok4B1 PRO 90 HD3 -0.03 0.21 0.26 -0.04 3.65 4.05 1ok4B1 VAL 91 H -0.11 0.31 0.15 -0.55 8.24 8.03 1ok4B1 VAL 91 HA 0.05 0.06 0.56 -0.75 4.13 4.04 1ok4B1 VAL 91 HB -0.12 0.07 -0.25 -0.04 2.12 1.78 1ok4B1 VAL 91 HG13 -0.48 0.01 -0.07 -0.04 0.97 0.38 1ok4B1 VAL 91 HG23 -0.42 -0.01 -0.07 -0.04 0.95 0.40 1ok4B1 SER 92 H -0.08 0.25 0.02 -0.55 8.46 8.10 1ok4B1 SER 92 HA -0.16 0.18 0.67 -0.75 4.49 4.42 1ok4B1 SER 92 HB2 0.09 0.05 -0.30 -0.04 3.95 3.74 1ok4B1 SER 92 HB3 -0.18 0.06 -0.06 -0.04 3.93 3.71 1ok4B1 VAL 93 H -0.17 0.24 0.11 -0.55 8.24 7.88 1ok4B1 VAL 93 HA -0.06 0.18 0.86 -0.75 4.13 4.36 1ok4B1 VAL 93 HB -0.06 0.04 0.09 -0.04 2.12 2.15 1ok4B1 VAL 93 HG13 -0.17 -0.01 -0.11 -0.04 0.97 0.64 1ok4B1 VAL 93 HG23 -0.11 0.03 -0.08 -0.04 0.95 0.75 1ok4B1 ALA 94 H 0.06 0.11 0.16 -0.55 8.40 8.19 1ok4B1 ALA 94 HA 0.01 0.10 0.34 -0.75 4.34 4.03 1ok4B1 ALA 94 HB3 0.07 0.05 0.11 -0.04 1.41 1.59 1ok4B1 ASN 95 H -0.04 0.68 0.51 -0.55 8.53 9.12 1ok4B1 ASN 95 HA -0.03 0.17 0.86 -0.75 4.76 5.00 1ok4B1 ASN 95 HB2 -0.04 -0.04 0.21 -0.04 2.88 2.97 1ok4B1 ASN 95 HB3 -0.05 0.03 0.10 -0.04 2.79 2.83 1ok4B1 ASN 95 HD21 -0.08 -0.05 -0.17 -0.04 7.03 6.69 1ok4B1 ASN 95 HD22 -0.08 0.03 0.02 -0.04 7.74 7.67 1ok4B1 CYS 96 H -0.02 0.24 0.11 -0.55 8.50 8.28 1ok4B1 CYS 96 HA -0.02 0.10 0.72 -0.75 4.58 4.63 1ok4B1 CYS 96 HB2 -0.03 -0.02 -0.21 -0.04 2.97 2.67 1ok4B1 CYS 96 HB3 -0.03 0.00 0.01 -0.04 2.97 2.91 1ok4B1 SER 97 H -0.04 0.12 0.13 -0.55 8.46 8.13 1ok4B1 SER 97 HA -0.04 0.22 0.78 -0.75 4.49 4.69 1ok4B1 SER 97 HB2 -0.04 -0.00 0.13 -0.04 3.95 4.00 1ok4B1 SER 97 HB3 -0.03 0.11 0.05 -0.04 3.93 4.03 1ok4B1 VAL 98 H -0.07 0.21 0.15 -0.55 8.24 7.98 1ok4B1 VAL 98 HA -0.10 0.12 0.43 -0.75 4.13 3.83 1ok4B1 VAL 98 HB -0.07 -0.04 0.07 -0.04 2.12 2.05 1ok4B1 VAL 98 HG13 -0.12 0.05 -0.29 -0.04 0.97 0.57 1ok4B1 VAL 98 HG23 -0.02 0.03 0.02 -0.04 0.95 0.95 1ok4B1 GLU 99 H -0.28 0.06 -0.09 -0.55 8.60 7.75 1ok4B1 GLU 99 HA -1.13 0.18 0.35 -0.75 4.29 2.94 1ok4B1 GLU 99 HB2 -0.23 0.05 0.08 -0.04 2.09 1.95 1ok4B1 GLU 99 HB3 -0.13 -0.09 0.04 -0.04 1.99 1.77 1ok4B1 GLU 99 HG2 -0.08 0.01 -0.24 -0.04 2.34 1.98 1ok4B1 GLU 99 HG3 -0.09 0.07 0.03 -0.04 2.34 2.30 1ok4B1 GLU 100 H -0.13 -0.02 -0.32 -0.55 8.60 7.59 1ok4B1 GLU 100 HA -0.06 0.13 0.53 -0.75 4.29 4.13 1ok4B1 GLU 100 HB2 -0.05 -0.03 0.09 -0.04 2.09 2.06 1ok4B1 GLU 100 HB3 -0.03 0.06 -0.01 -0.04 1.99 1.97 1ok4B1 GLU 100 HG2 -0.03 0.09 0.02 -0.04 2.34 2.38 1ok4B1 GLU 100 HG3 -0.05 -0.07 -0.00 -0.04 2.34 2.18 1ok4B1 ALA 101 H -0.11 0.37 -0.23 -0.55 8.40 7.88 1ok4B1 ALA 101 HA -0.03 -0.00 0.44 -0.75 4.34 3.98 1ok4B1 ALA 101 HB3 -0.06 0.04 0.05 -0.04 1.41 1.41 1ok4B1 VAL 102 H -0.17 0.51 -0.12 -0.55 8.24 7.90 1ok4B1 VAL 102 HA -0.02 0.15 0.46 -0.75 4.13 3.97 1ok4B1 VAL 102 HB -0.22 0.09 0.16 -0.04 2.12 2.11 1ok4B1 VAL 102 HG13 0.07 0.01 -0.09 -0.04 0.97 0.92 1ok4B1 VAL 102 HG23 -0.12 0.05 -0.01 -0.04 0.95 0.82 1ok4B1 SER 103 H -0.06 0.29 -0.22 -0.55 8.46 7.92 1ok4B1 SER 103 HA 0.02 0.08 0.36 -0.75 4.49 4.20 1ok4B1 SER 103 HB2 0.01 -0.03 0.10 -0.04 3.95 3.98 1ok4B1 SER 103 HB3 -0.02 0.02 0.13 -0.04 3.93 4.03 1ok4B1 LEU 104 H 0.00 0.27 -0.43 -0.55 8.37 7.67 1ok4B1 LEU 104 HA 0.07 0.12 0.63 -0.75 4.35 4.42 1ok4B1 LEU 104 HB2 0.01 0.02 0.07 -0.04 1.64 1.70 1ok4B1 LEU 104 HB3 0.07 -0.09 0.03 -0.04 1.64 1.61 1ok4B1 LEU 104 HG 0.01 0.18 -0.01 -0.04 1.64 1.78 1ok4B1 LEU 104 HD13 0.02 -0.06 -0.07 -0.04 0.93 0.77 1ok4B1 LEU 104 HD23 0.05 -0.00 -0.05 -0.04 0.89 0.84 1ok4B1 GLY 105 H 0.05 0.41 -0.39 -0.55 8.43 7.96 1ok4B1 GLY 105 HA2 0.10 0.08 0.24 -0.51 4.01 3.93 1ok4B1 GLY 105 HA3 0.24 0.04 0.52 -0.51 4.01 4.30 1ok4B1 ALA 106 H 0.00 0.41 0.03 -0.55 8.40 8.30 1ok4B1 ALA 106 HA -0.07 -0.02 0.47 -0.75 4.34 3.97 1ok4B1 ALA 106 HB3 -0.01 -0.01 -0.01 -0.04 1.41 1.34 1ok4B1 SER 107 H 0.10 0.44 0.40 -0.55 8.46 8.86 1ok4B1 SER 107 HA 0.09 0.22 0.89 -0.75 4.49 4.93 1ok4B1 SER 107 HB2 0.14 -0.04 0.05 -0.04 3.95 4.05 1ok4B1 SER 107 HB3 0.04 0.01 0.13 -0.04 3.93 4.07 1ok4B1 ALA 108 H 0.16 0.27 0.26 -0.55 8.40 8.53 1ok4B1 ALA 108 HA 0.15 0.15 0.29 -0.75 4.34 4.18 1ok4B1 ALA 108 HB3 0.21 0.03 -0.03 -0.04 1.41 1.57 1ok4B1 VAL 109 H 0.08 0.72 0.24 -0.55 8.24 8.73 1ok4B1 VAL 109 HA 0.03 0.15 1.01 -0.75 4.13 4.56 1ok4B1 VAL 109 HB 0.00 -0.02 0.08 -0.04 2.12 2.14 1ok4B1 VAL 109 HG13 -0.00 -0.02 -0.12 -0.04 0.97 0.79 1ok4B1 VAL 109 HG23 0.02 0.01 -0.08 -0.04 0.95 0.86 1ok4B1 GLY 110 H -0.04 0.57 0.29 -0.55 8.43 8.71 1ok4B1 GLY 110 HA2 0.15 0.48 1.03 -0.51 4.01 5.16 1ok4B1 GLY 110 HA3 -0.18 -0.08 0.20 -0.51 4.01 3.45 1ok4B1 TYR 111 H 0.05 0.54 0.30 -0.55 8.29 8.64 1ok4B1 TYR 111 HA -0.29 -0.08 0.73 -0.75 4.56 4.17 1ok4B1 TYR 111 HB2 -0.10 0.04 -0.28 -0.04 3.06 2.68 1ok4B1 TYR 111 HB3 -0.07 0.05 -0.06 -0.04 2.98 2.87 1ok4B1 TYR 111 HD2 -0.09 -0.04 -0.19 -0.04 7.15 6.78 1ok4B1 TYR 111 HE2 -0.07 -0.06 -0.03 -0.04 6.85 6.64 1ok4B1 THR 112 H -0.77 0.10 0.11 -0.55 8.28 7.16 1ok4B1 THR 112 HA -0.25 0.29 0.94 -0.75 4.39 4.63 1ok4B1 THR 112 HB -0.58 -0.06 0.02 -0.04 4.32 3.65 1ok4B1 THR 112 HG23 -0.63 0.01 -0.21 -0.04 1.22 0.35 1ok4B1 ILE 113 H -0.17 0.61 0.34 -0.55 8.25 8.48 1ok4B1 ILE 113 HA -0.18 0.10 0.76 -0.75 4.18 4.10 1ok4B1 ILE 113 HB 0.21 -0.05 -0.06 -0.04 1.89 1.96 1ok4B1 ILE 113 HG12 0.05 0.08 0.00 -0.04 1.49 1.58 1ok4B1 ILE 113 HG13 0.05 -0.10 0.04 -0.04 1.21 1.15 1ok4B1 ILE 113 HG23 0.28 0.01 -0.20 -0.04 0.93 0.98 1ok4B1 ILE 113 HD13 0.14 0.01 -0.13 -0.04 0.88 0.86 1ok4B1 TYR 114 H -0.06 0.12 -0.04 -0.55 8.29 7.75 1ok4B1 TYR 114 HA 0.08 0.44 0.70 -0.75 4.56 5.03 1ok4B1 TYR 114 HB2 -0.02 -0.05 0.10 -0.04 3.06 3.05 1ok4B1 TYR 114 HB3 0.03 0.10 0.10 -0.04 2.98 3.18 1ok4B1 TYR 114 HD2 0.05 0.19 -0.19 -0.04 7.15 7.16 1ok4B1 TYR 114 HE2 0.06 -0.04 -0.30 -0.04 6.85 6.53 1ok4B1 PRO 115 HA 0.04 -0.02 0.46 -0.51 4.44 4.41 1ok4B1 PRO 115 HB2 -0.03 0.01 -0.01 -0.04 2.28 2.21 1ok4B1 PRO 115 HB3 0.02 0.06 0.01 -0.04 2.02 2.08 1ok4B1 PRO 115 HG2 0.07 0.10 -0.08 -0.04 2.03 2.07 1ok4B1 PRO 115 HG3 0.20 0.06 -0.07 -0.04 2.03 2.18 1ok4B1 PRO 115 HD2 0.13 0.11 -0.42 -0.04 3.68 3.46 1ok4B1 PRO 115 HD3 0.11 0.06 -0.60 -0.04 3.65 3.18 1ok4B1 GLY 116 H -0.00 0.11 0.14 -0.55 8.43 8.13 1ok4B1 GLY 116 HA2 0.01 -0.04 0.32 -0.51 4.01 3.79 1ok4B1 GLY 116 HA3 0.01 0.19 0.58 -0.51 4.01 4.28 1ok4B1 SER 117 H 0.02 0.50 -0.26 -0.55 8.46 8.17 1ok4B1 SER 117 HA -0.01 -0.06 0.55 -0.75 4.49 4.22 1ok4B1 SER 117 HB2 0.05 0.22 0.19 -0.04 3.95 4.37 1ok4B1 SER 117 HB3 0.01 -0.03 0.09 -0.04 3.93 3.96 1ok4B1 GLY 118 H -0.06 0.12 0.27 -0.55 8.43 8.21 1ok4B1 GLY 118 HA2 -0.03 0.12 0.59 -0.51 4.01 4.18 1ok4B1 GLY 118 HA3 -0.19 0.04 0.39 -0.51 4.01 3.74 1ok4B1 PHE 119 H -0.05 0.13 -0.39 -0.55 8.34 7.48 1ok4B1 PHE 119 HA -0.68 0.20 0.86 -0.75 4.62 4.25 1ok4B1 PHE 119 HB2 -0.20 0.25 -0.07 -0.04 3.15 3.08 1ok4B1 PHE 119 HB3 -0.47 -0.12 0.16 -0.04 3.06 2.59 1ok4B1 PHE 119 HD2 -0.33 0.11 -0.10 -0.04 7.28 6.92 1ok4B1 PHE 119 HE2 0.11 0.00 -0.01 -0.04 7.38 7.44 1ok4B1 PHE 119 HZ 0.06 0.01 -0.01 -0.04 7.32 7.34 1ok4B1 GLU 120 H -0.12 0.66 -0.33 -0.55 8.60 8.26 1ok4B1 GLU 120 HA -0.33 0.05 0.31 -0.75 4.29 3.56 1ok4B1 GLU 120 HB2 -0.55 -0.05 0.05 -0.04 2.09 1.50 1ok4B1 GLU 120 HB3 -0.14 0.14 0.13 -0.04 1.99 2.08 1ok4B1 GLU 120 HG2 0.00 0.10 0.02 -0.04 2.34 2.42 1ok4B1 GLU 120 HG3 -0.24 0.01 -0.21 -0.04 2.34 1.86 1ok4B1 TRP 121 H -0.06 0.19 -0.28 -0.55 7.97 7.27 1ok4B1 TRP 121 HA -0.06 0.07 0.34 -0.75 4.62 4.21 1ok4B1 TRP 121 HB2 0.05 0.04 0.01 -0.04 3.23 3.29 1ok4B1 TRP 121 HB3 0.02 0.04 0.06 -0.04 3.23 3.31 1ok4B1 TRP 121 HD1 -0.01 0.03 0.03 -0.04 7.22 7.23 1ok4B1 TRP 121 HE1 0.00 0.14 0.12 -0.04 10.20 10.43 1ok4B1 TRP 121 HE3 0.06 -0.02 -0.39 -0.04 7.59 7.19 1ok4B1 TRP 121 HZ2 0.23 0.02 0.01 -0.04 7.44 7.66 1ok4B1 TRP 121 HZ3 0.05 0.01 -0.04 -0.04 7.13 7.12 1ok4B1 TRP 121 HH2 0.11 0.01 -0.01 -0.04 7.19 7.27 1ok4B1 LYS 122 H -1.13 0.28 -0.29 -0.55 8.42 6.72 1ok4B1 LYS 122 HA -0.17 0.07 0.46 -0.75 4.32 3.93 1ok4B1 LYS 122 HB2 -1.44 -0.01 0.11 -0.04 1.87 0.48 1ok4B1 LYS 122 HB3 -0.59 0.09 0.10 -0.04 1.79 1.35 1ok4B1 LYS 122 HG2 -0.26 -0.02 -0.10 -0.04 1.46 1.03 1ok4B1 LYS 122 HG3 -0.21 -0.00 0.07 -0.04 1.46 1.28 1ok4B1 LYS 122 HD2 -0.67 0.01 0.01 -0.04 1.69 0.99 1ok4B1 LYS 122 HD3 -0.42 -0.02 -0.04 -0.04 1.68 1.17 1ok4B1 LYS 122 HE2 -0.00 0.01 0.01 -0.04 2.99 2.96 1ok4B1 LYS 122 HE3 -0.13 0.01 -0.01 -0.04 2.99 2.82 1ok4B1 MET 123 H -0.25 0.35 -0.10 -0.55 8.47 7.92 1ok4B1 MET 123 HA 0.09 0.06 0.61 -0.75 4.52 4.53 1ok4B1 MET 123 HB2 -0.11 0.06 0.14 -0.04 2.15 2.21 1ok4B1 MET 123 HB3 0.16 0.05 0.09 -0.04 2.03 2.29 1ok4B1 MET 123 HG2 -0.06 0.21 0.11 -0.04 2.63 2.84 1ok4B1 MET 123 HG3 -0.13 -0.07 0.01 -0.04 2.56 2.34 1ok4B1 MET 123 HE3 -0.00 0.08 -0.03 -0.04 2.10 2.11 1ok4B1 PHE 124 H -0.02 0.46 -0.08 -0.55 8.34 8.15 1ok4B1 PHE 124 HA 0.03 0.07 0.49 -0.75 4.62 4.45 1ok4B1 PHE 124 HB2 0.12 0.02 0.11 -0.04 3.15 3.36 1ok4B1 PHE 124 HB3 0.06 0.03 -0.00 -0.04 3.06 3.11 1ok4B1 PHE 124 HD2 0.07 -0.02 -0.12 -0.04 7.28 7.17 1ok4B1 PHE 124 HE2 0.04 -0.02 -0.09 -0.04 7.38 7.27 1ok4B1 PHE 124 HZ 0.01 -0.05 -0.05 -0.04 7.32 7.19 1ok4B1 GLU 125 H 0.21 0.52 -0.16 -0.55 8.60 8.62 1ok4B1 GLU 125 HA 0.13 0.05 0.43 -0.75 4.29 4.13 1ok4B1 GLU 125 HB2 0.27 0.12 0.18 -0.04 2.09 2.61 1ok4B1 GLU 125 HB3 0.15 0.10 0.19 -0.04 1.99 2.39 1ok4B1 GLU 125 HG2 0.10 -0.02 -0.12 -0.04 2.34 2.26 1ok4B1 GLU 125 HG3 0.13 -0.01 0.05 -0.04 2.34 2.46 1ok4B1 GLU 126 H 0.05 0.44 -0.13 -0.55 8.60 8.41 1ok4B1 GLU 126 HA -0.02 0.03 0.54 -0.75 4.29 4.08 1ok4B1 GLU 126 HB2 0.01 0.06 0.18 -0.04 2.09 2.30 1ok4B1 GLU 126 HB3 0.04 0.08 0.21 -0.04 1.99 2.28 1ok4B1 GLU 126 HG2 -0.12 -0.01 -0.05 -0.04 2.34 2.12 1ok4B1 GLU 126 HG3 -0.03 -0.02 0.12 -0.04 2.34 2.37 1ok4B1 LEU 127 H -0.08 0.66 -0.13 -0.55 8.37 8.27 1ok4B1 LEU 127 HA -0.54 -0.08 0.39 -0.75 4.35 3.36 1ok4B1 LEU 127 HB2 -0.14 0.05 0.10 -0.04 1.64 1.60 1ok4B1 LEU 127 HB3 -0.01 0.11 0.14 -0.04 1.64 1.83 1ok4B1 LEU 127 HG -0.10 0.07 -0.14 -0.04 1.64 1.44 1ok4B1 LEU 127 HD13 -0.21 -0.04 -0.06 -0.04 0.93 0.57 1ok4B1 LEU 127 HD23 0.03 -0.00 -0.10 -0.04 0.89 0.78 1ok4B1 ALA 128 H -0.02 0.49 -0.33 -0.55 8.40 7.98 1ok4B1 ALA 128 HA -0.04 0.07 0.47 -0.75 4.34 4.09 1ok4B1 ALA 128 HB3 0.01 0.06 0.11 -0.04 1.41 1.55 1ok4B1 ARG 129 H -0.04 0.34 -0.16 -0.55 8.46 8.05 1ok4B1 ARG 129 HA -0.01 0.06 0.60 -0.75 4.34 4.24 1ok4B1 ARG 129 HB2 -0.04 0.11 0.20 -0.04 1.90 2.13 1ok4B1 ARG 129 HB3 -0.01 -0.08 0.05 -0.04 1.80 1.72 1ok4B1 ARG 129 HG2 0.00 -0.01 0.05 -0.04 1.67 1.67 1ok4B1 ARG 129 HG3 0.00 0.14 0.10 -0.04 1.67 1.87 1ok4B1 ARG 129 HD2 0.00 -0.04 0.03 -0.04 3.22 3.17 1ok4B1 ARG 129 HD3 0.01 -0.01 0.02 -0.04 3.22 3.20 1ok4B1 ILE 130 H -0.14 0.52 -0.00 -0.55 8.25 8.08 1ok4B1 ILE 130 HA -0.05 -0.08 0.51 -0.75 4.18 3.80 1ok4B1 ILE 130 HB -0.31 0.11 0.15 -0.04 1.89 1.79 1ok4B1 ILE 130 HG12 -0.09 -0.08 0.05 -0.04 1.49 1.33 1ok4B1 ILE 130 HG13 -0.13 -0.02 0.04 -0.04 1.21 1.07 1ok4B1 ILE 130 HG23 -0.11 -0.01 -0.16 -0.04 0.93 0.61 1ok4B1 ILE 130 HD13 -0.35 -0.00 -0.08 -0.04 0.88 0.41 1ok4B1 LYS 131 H -0.09 0.80 -0.06 -0.55 8.42 8.52 1ok4B1 LYS 131 HA -0.03 -0.00 0.40 -0.75 4.32 3.93 1ok4B1 LYS 131 HB2 -0.06 0.01 0.08 -0.04 1.87 1.87 1ok4B1 LYS 131 HB3 -0.04 0.09 0.19 -0.04 1.79 1.98 1ok4B1 LYS 131 HG2 -0.03 0.11 0.04 -0.04 1.46 1.54 1ok4B1 LYS 131 HG3 -0.02 -0.05 -0.23 -0.04 1.46 1.12 1ok4B1 LYS 131 HD2 -0.01 -0.15 0.08 -0.04 1.69 1.57 1ok4B1 LYS 131 HD3 -0.03 0.06 -0.00 -0.04 1.68 1.67 1ok4B1 LYS 131 HE2 -0.02 0.03 0.06 -0.04 2.99 3.02 1ok4B1 LYS 131 HE3 -0.01 -0.09 -0.00 -0.04 2.99 2.84 1ok4B1 ARG 132 H -0.02 0.51 -0.13 -0.55 8.46 8.27 1ok4B1 ARG 132 HA 0.00 0.03 0.47 -0.75 4.34 4.09 1ok4B1 ARG 132 HB2 -0.00 0.09 0.19 -0.04 1.90 2.14 1ok4B1 ARG 132 HB3 0.00 0.07 0.21 -0.04 1.80 2.04 1ok4B1 ARG 132 HG2 0.01 -0.04 -0.09 -0.04 1.67 1.50 1ok4B1 ARG 132 HG3 -0.00 -0.01 0.07 -0.04 1.67 1.69 1ok4B1 ARG 132 HD2 0.00 0.03 0.03 -0.04 3.22 3.24 1ok4B1 ARG 132 HD3 0.01 -0.03 0.01 -0.04 3.22 3.17 1ok4B1 ASP 133 H 0.03 0.50 -0.16 -0.55 8.40 8.22 1ok4B1 ASP 133 HA 0.14 0.02 0.50 -0.75 4.63 4.54 1ok4B1 ASP 133 HB2 0.05 0.12 0.21 -0.04 2.71 3.05 1ok4B1 ASP 133 HB3 0.17 -0.14 0.00 -0.04 2.70 2.70 1ok4B1 ALA 134 H 0.05 0.70 -0.04 -0.55 8.40 8.56 1ok4B1 ALA 134 HA 0.11 -0.06 0.46 -0.75 4.34 4.10 1ok4B1 ALA 134 HB3 0.03 0.11 0.10 -0.04 1.41 1.61 1ok4B1 VAL 135 H 0.04 0.53 -0.13 -0.55 8.24 8.12 1ok4B1 VAL 135 HA 0.03 0.03 0.46 -0.75 4.13 3.90 1ok4B1 VAL 135 HB 0.01 0.13 0.19 -0.04 2.12 2.40 1ok4B1 VAL 135 HG13 -0.00 -0.02 -0.07 -0.04 0.97 0.84 1ok4B1 VAL 135 HG23 0.01 0.03 0.05 -0.04 0.95 0.99 1ok4B1 LYS 136 H 0.03 0.39 -0.12 -0.55 8.42 8.16 1ok4B1 LYS 136 HA -0.09 0.02 0.38 -0.75 4.32 3.88 1ok4B1 LYS 136 HB2 -0.07 -0.01 0.13 -0.04 1.87 1.88 1ok4B1 LYS 136 HB3 -0.02 0.03 0.24 -0.04 1.79 1.99 1ok4B1 LYS 136 HG2 -0.80 0.02 -0.23 -0.04 1.46 0.41 1ok4B1 LYS 136 HG3 -0.28 -0.02 0.03 -0.04 1.46 1.15 1ok4B1 LYS 136 HD2 -0.10 -0.01 0.00 -0.04 1.69 1.54 1ok4B1 LYS 136 HD3 -0.04 -0.04 0.01 -0.04 1.68 1.56 1ok4B1 LYS 136 HE2 -0.36 -0.02 -0.03 -0.04 2.99 2.53 1ok4B1 LYS 136 HE3 -0.26 0.02 -0.02 -0.04 2.99 2.69 1ok4B1 PHE 137 H 0.19 0.53 -0.18 -0.55 8.34 8.33 1ok4B1 PHE 137 HA 0.01 0.12 0.73 -0.75 4.62 4.73 1ok4B1 PHE 137 HB2 0.01 0.04 -0.00 -0.04 3.15 3.16 1ok4B1 PHE 137 HB3 0.02 0.00 0.05 -0.04 3.06 3.09 1ok4B1 PHE 137 HD2 0.01 0.17 0.01 -0.04 7.28 7.43 1ok4B1 PHE 137 HE2 0.01 -0.03 -0.01 -0.04 7.38 7.30 1ok4B1 PHE 137 HZ 0.01 -0.04 -0.01 -0.04 7.32 7.24 1ok4B1 ASP 138 H 0.07 0.27 -0.53 -0.55 8.40 7.66 1ok4B1 ASP 138 HA 0.06 0.00 0.29 -0.75 4.63 4.23 1ok4B1 ASP 138 HB2 0.03 -0.00 -0.21 -0.04 2.71 2.49 1ok4B1 ASP 138 HB3 0.07 0.10 0.07 -0.04 2.70 2.89 1ok4B1 LEU 139 H 0.11 0.47 -0.06 -0.55 8.37 8.34 1ok4B1 LEU 139 HA 0.11 0.30 0.79 -0.75 4.35 4.79 1ok4B1 LEU 139 HB2 0.11 -0.06 -0.10 -0.04 1.64 1.54 1ok4B1 LEU 139 HB3 0.08 -0.12 -0.16 -0.04 1.64 1.39 1ok4B1 LEU 139 HG 0.10 -0.06 -0.49 -0.04 1.64 1.14 1ok4B1 LEU 139 HD13 0.09 0.13 -0.14 -0.04 0.93 0.97 1ok4B1 LEU 139 HD23 0.02 -0.03 -0.24 -0.04 0.89 0.59 1ok4B1 PRO 140 HA 0.07 -0.02 0.47 -0.51 4.44 4.45 1ok4B1 PRO 140 HB2 0.26 -0.06 -0.05 -0.04 2.28 2.39 1ok4B1 PRO 140 HB3 0.16 0.05 -0.01 -0.04 2.02 2.18 1ok4B1 PRO 140 HG2 0.34 0.06 0.03 -0.04 2.03 2.41 1ok4B1 PRO 140 HG3 0.19 0.07 0.10 -0.04 2.03 2.35 1ok4B1 PRO 140 HD2 0.20 0.42 0.32 -0.04 3.68 4.58 1ok4B1 PRO 140 HD3 0.14 0.27 0.14 -0.04 3.65 4.16 1ok4B1 LEU 141 H 0.01 0.15 0.19 -0.55 8.37 8.17 1ok4B1 LEU 141 HA 0.03 0.19 0.85 -0.75 4.35 4.67 1ok4B1 LEU 141 HB2 0.00 0.05 0.01 -0.04 1.64 1.66 1ok4B1 LEU 141 HB3 -0.01 0.02 0.19 -0.04 1.64 1.80 1ok4B1 LEU 141 HG 0.00 -0.06 -0.44 -0.04 1.64 1.10 1ok4B1 LEU 141 HD13 0.02 0.01 -0.21 -0.04 0.93 0.70 1ok4B1 LEU 141 HD23 -0.04 0.02 -0.18 -0.04 0.89 0.66 1ok4B1 VAL 142 H 0.07 0.81 0.32 -0.55 8.24 8.88 1ok4B1 VAL 142 HA -0.13 0.29 0.81 -0.75 4.13 4.35 1ok4B1 VAL 142 HB 0.31 -0.09 -0.01 -0.04 2.12 2.29 1ok4B1 VAL 142 HG13 -0.20 -0.02 -0.43 -0.04 0.97 0.27 1ok4B1 VAL 142 HG23 -0.19 0.03 -0.28 -0.04 0.95 0.47 1ok4B1 VAL 143 H -0.01 0.63 0.34 -0.55 8.24 8.65 1ok4B1 VAL 143 HA 0.21 0.21 0.94 -0.75 4.13 4.74 1ok4B1 VAL 143 HB 0.01 0.03 0.16 -0.04 2.12 2.28 1ok4B1 VAL 143 HG13 0.06 -0.00 -0.24 -0.04 0.97 0.75 1ok4B1 VAL 143 HG23 0.04 0.01 -0.14 -0.04 0.95 0.81 1ok4B1 TRP 144 H 0.46 0.36 0.15 -0.55 7.97 8.39 1ok4B1 TRP 144 HA -0.30 0.18 0.78 -0.75 4.62 4.52 1ok4B1 TRP 144 HB2 -0.37 -0.08 0.10 -0.04 3.23 2.84 1ok4B1 TRP 144 HB3 -0.89 0.03 -0.02 -0.04 3.23 2.31 1ok4B1 TRP 144 HD1 -0.21 0.01 -0.11 -0.04 7.22 6.87 1ok4B1 TRP 144 HE1 0.04 -0.08 -0.13 -0.04 10.20 9.99 1ok4B1 TRP 144 HE3 -0.12 0.00 -0.34 -0.04 7.59 7.09 1ok4B1 TRP 144 HZ2 0.00 -0.08 -0.17 -0.04 7.44 7.15 1ok4B1 TRP 144 HZ3 -0.08 0.12 -0.19 -0.04 7.13 6.95 1ok4B1 TRP 144 HH2 -0.04 0.04 -0.24 -0.04 7.19 6.91 1ok4B1 SER 145 H -0.09 0.65 0.23 -0.55 8.46 8.70 1ok4B1 SER 145 HA -0.00 0.08 0.90 -0.75 4.49 4.71 1ok4B1 SER 145 HB2 0.01 -0.01 -0.03 -0.04 3.95 3.88 1ok4B1 SER 145 HB3 0.05 -0.02 0.10 -0.04 3.93 4.02 1ok4B1 TYR 146 H 0.09 0.60 0.19 -0.55 8.29 8.61 1ok4B1 TYR 146 HA 0.12 0.16 0.86 -0.75 4.56 4.94 1ok4B1 TYR 146 HB2 0.15 0.05 0.09 -0.04 3.06 3.32 1ok4B1 TYR 146 HB3 0.25 0.00 -0.00 -0.04 2.98 3.19 1ok4B1 TYR 146 HD2 0.20 0.13 -0.24 -0.04 7.15 7.21 1ok4B1 TYR 146 HE2 0.22 -0.06 -0.22 -0.04 6.85 6.75 1ok4B1 PRO 147 HA 0.12 0.13 0.46 -0.51 4.44 4.64 1ok4B1 PRO 147 HB2 0.08 -0.05 0.01 -0.04 2.28 2.27 1ok4B1 PRO 147 HB3 0.02 0.03 0.00 -0.04 2.02 2.03 1ok4B1 PRO 147 HG2 0.09 0.14 0.05 -0.04 2.03 2.26 1ok4B1 PRO 147 HG3 0.04 -0.01 -0.01 -0.04 2.03 2.01 1ok4B1 PRO 147 HD2 0.18 0.10 0.20 -0.04 3.68 4.11 1ok4B1 PRO 147 HD3 0.17 0.16 -0.26 -0.04 3.65 3.67 1ok4B1 ARG 148 H 0.11 0.47 0.12 -0.55 8.46 8.61 1ok4B1 ARG 148 HA 0.05 0.03 0.54 -0.75 4.34 4.20 1ok4B1 ARG 148 HB2 0.14 0.16 -0.37 -0.04 1.90 1.78 1ok4B1 ARG 148 HB3 0.02 -0.07 -0.05 -0.04 1.80 1.66 1ok4B1 ARG 148 HG2 -0.07 -0.04 -0.09 -0.04 1.67 1.44 1ok4B1 ARG 148 HG3 -0.01 0.01 0.05 -0.04 1.67 1.68 1ok4B1 ARG 148 HD2 -0.27 -0.04 -0.08 -0.04 3.22 2.79 1ok4B1 ARG 148 HD3 -0.08 0.01 -0.04 -0.04 3.22 3.07 1ok4B1 GLY 149 H 0.00 0.18 0.09 -0.55 8.43 8.15 1ok4B1 GLY 149 HA2 -0.01 0.09 0.35 -0.51 4.01 3.93 1ok4B1 GLY 149 HA3 -0.01 -0.01 0.67 -0.51 4.01 4.14 1ok4B1 GLY 150 H -0.01 -0.00 0.15 -0.55 8.43 8.02 1ok4B1 GLY 150 HA2 0.00 -0.00 0.36 -0.51 4.01 3.86 1ok4B1 GLY 150 HA3 0.01 0.16 0.48 -0.51 4.01 4.15 1ok4B1 LYS 151 H 0.03 0.11 0.18 -0.55 8.42 8.19 1ok4B1 LYS 151 HA 0.02 0.13 0.45 -0.75 4.32 4.17 1ok4B1 LYS 151 HB2 0.05 -0.00 0.03 -0.04 1.87 1.91 1ok4B1 LYS 151 HB3 0.04 -0.01 0.11 -0.04 1.79 1.89 1ok4B1 LYS 151 HG2 0.03 0.03 -0.02 -0.04 1.46 1.46 1ok4B1 LYS 151 HG3 0.03 -0.04 0.03 -0.04 1.46 1.44 1ok4B1 LYS 151 HD2 0.06 0.00 0.00 -0.04 1.69 1.71 1ok4B1 LYS 151 HD3 0.05 0.00 0.00 -0.04 1.68 1.69 1ok4B1 LYS 151 HE2 0.04 0.01 -0.00 -0.04 2.99 3.00 1ok4B1 LYS 151 HE3 0.03 0.01 -0.01 -0.04 2.99 2.98 1ok4B1 VAL 152 H 0.03 0.45 -0.33 -0.55 8.24 7.83 1ok4B1 VAL 152 HA 0.04 -0.03 0.34 -0.75 4.13 3.73 1ok4B1 VAL 152 HB 0.03 -0.02 -0.08 -0.04 2.12 2.01 1ok4B1 VAL 152 HG13 0.05 0.07 -0.46 -0.04 0.97 0.59 1ok4B1 VAL 152 HG23 0.04 -0.02 -0.19 -0.04 0.95 0.73 1ok4B1 VAL 153 H 0.03 0.04 0.07 -0.55 8.24 7.84 1ok4B1 VAL 153 HA 0.01 0.23 0.85 -0.75 4.13 4.48 1ok4B1 VAL 153 HB 0.01 0.01 0.06 -0.04 2.12 2.15 1ok4B1 VAL 153 HG13 0.02 0.07 -0.17 -0.04 0.97 0.85 1ok4B1 VAL 153 HG23 0.02 0.00 0.12 -0.04 0.95 1.05 1ok4B1 ASN 154 H 0.03 0.12 0.15 -0.55 8.53 8.29 1ok4B1 ASN 154 HA 0.01 0.17 0.76 -0.75 4.76 4.95 1ok4B1 ASN 154 HB2 0.02 -0.03 0.21 -0.04 2.88 3.04 1ok4B1 ASN 154 HB3 0.01 -0.04 0.05 -0.04 2.79 2.77 1ok4B1 ASN 154 HD21 0.01 0.06 0.01 -0.04 7.03 7.06 1ok4B1 ASN 154 HD22 0.01 -0.02 0.05 -0.04 7.74 7.74 1ok4B1 GLU 155 H 0.02 0.24 0.16 -0.55 8.60 8.47 1ok4B1 GLU 155 HA 0.05 0.13 0.31 -0.75 4.29 4.02 1ok4B1 GLU 155 HB2 -0.00 -0.04 0.08 -0.04 2.09 2.09 1ok4B1 GLU 155 HB3 0.02 0.04 0.08 -0.04 1.99 2.09 1ok4B1 GLU 155 HG2 0.04 0.17 -0.05 -0.04 2.34 2.46 1ok4B1 GLU 155 HG3 0.02 0.02 0.00 -0.04 2.34 2.33 1ok4B1 THR 156 H 0.02 -0.01 -0.32 -0.55 8.28 7.42 1ok4B1 THR 156 HA 0.05 0.26 0.69 -0.75 4.39 4.63 1ok4B1 THR 156 HB -0.02 0.11 0.16 -0.04 4.32 4.53 1ok4B1 THR 156 HG23 0.01 -0.02 -0.09 -0.04 1.22 1.07 1ok4B1 ALA 157 H 0.04 0.26 -0.27 -0.55 8.40 7.89 1ok4B1 ALA 157 HA 0.03 0.14 0.48 -0.75 4.34 4.23 1ok4B1 ALA 157 HB3 0.05 -0.01 0.14 -0.04 1.41 1.54 1ok4B1 PRO 158 HA 0.11 0.10 0.41 -0.51 4.44 4.55 1ok4B1 PRO 158 HB2 0.07 0.03 0.05 -0.04 2.28 2.39 1ok4B1 PRO 158 HB3 0.09 0.03 0.12 -0.04 2.02 2.22 1ok4B1 PRO 158 HG2 0.02 0.05 0.12 -0.04 2.03 2.19 1ok4B1 PRO 158 HG3 0.03 0.05 0.14 -0.04 2.03 2.20 1ok4B1 PRO 158 HD2 0.03 0.06 0.26 -0.04 3.68 3.99 1ok4B1 PRO 158 HD3 0.02 0.26 0.28 -0.04 3.65 4.16 1ok4B1 GLU 159 H 0.09 0.12 -0.18 -0.55 8.60 8.08 1ok4B1 GLU 159 HA 0.18 0.13 0.44 -0.75 4.29 4.29 1ok4B1 GLU 159 HB2 0.11 0.06 0.06 -0.04 2.09 2.27 1ok4B1 GLU 159 HB3 0.08 0.01 0.06 -0.04 1.99 2.11 1ok4B1 GLU 159 HG2 0.11 0.04 -0.23 -0.04 2.34 2.23 1ok4B1 GLU 159 HG3 0.08 0.05 -0.05 -0.04 2.34 2.38 1ok4B1 ILE 160 H 0.11 0.17 -0.32 -0.55 8.25 7.66 1ok4B1 ILE 160 HA 0.19 0.07 0.54 -0.75 4.18 4.23 1ok4B1 ILE 160 HB 0.09 0.14 0.04 -0.04 1.89 2.12 1ok4B1 ILE 160 HG12 0.09 -0.13 -0.01 -0.04 1.49 1.40 1ok4B1 ILE 160 HG13 0.07 0.07 0.01 -0.04 1.21 1.33 1ok4B1 ILE 160 HG23 0.09 0.01 -0.09 -0.04 0.93 0.90 1ok4B1 ILE 160 HD13 0.12 0.01 -0.09 -0.04 0.88 0.88 1ok4B1 VAL 161 H 0.12 0.47 -0.12 -0.55 8.24 8.16 1ok4B1 VAL 161 HA 0.13 0.07 0.47 -0.75 4.13 4.05 1ok4B1 VAL 161 HB 0.15 0.01 0.05 -0.04 2.12 2.29 1ok4B1 VAL 161 HG13 0.22 -0.03 -0.06 -0.04 0.97 1.07 1ok4B1 VAL 161 HG23 0.14 0.00 -0.09 -0.04 0.95 0.96 1ok4B1 ALA 162 H 0.13 0.46 -0.16 -0.55 8.40 8.28 1ok4B1 ALA 162 HA -0.09 0.04 0.48 -0.75 4.34 4.03 1ok4B1 ALA 162 HB3 0.05 0.02 0.02 -0.04 1.41 1.46 1ok4B1 TYR 163 H 0.21 0.38 -0.32 -0.55 8.29 8.01 1ok4B1 TYR 163 HA 0.01 0.02 0.46 -0.75 4.56 4.30 1ok4B1 TYR 163 HB2 0.07 0.23 0.22 -0.04 3.06 3.53 1ok4B1 TYR 163 HB3 0.07 0.07 0.10 -0.04 2.98 3.18 1ok4B1 TYR 163 HD2 0.05 -0.02 0.04 -0.04 7.15 7.17 1ok4B1 TYR 163 HE2 0.05 -0.01 -0.03 -0.04 6.85 6.82 1ok4B1 ALA 164 H 0.15 0.56 -0.18 -0.55 8.40 8.38 1ok4B1 ALA 164 HA 0.07 -0.08 0.32 -0.75 4.34 3.90 1ok4B1 ALA 164 HB3 0.12 0.08 0.16 -0.04 1.41 1.72 1ok4B1 ALA 165 H 0.02 0.50 -0.19 -0.55 8.40 8.19 1ok4B1 ALA 165 HA -0.04 -0.02 0.34 -0.75 4.34 3.87 1ok4B1 ALA 165 HB3 -0.12 0.03 0.05 -0.04 1.41 1.33 1ok4B1 ARG 166 H -0.02 0.55 -0.13 -0.55 8.46 8.31 1ok4B1 ARG 166 HA -0.08 0.16 0.42 -0.75 4.34 4.09 1ok4B1 ARG 166 HB2 -0.11 0.04 0.08 -0.04 1.90 1.87 1ok4B1 ARG 166 HB3 0.05 -0.00 0.11 -0.04 1.80 1.91 1ok4B1 ARG 166 HG2 -0.07 -0.06 -0.00 -0.04 1.67 1.49 1ok4B1 ARG 166 HG3 -0.01 -0.07 -0.12 -0.04 1.67 1.42 1ok4B1 ARG 166 HD2 -0.07 -0.06 0.15 -0.04 3.22 3.19 1ok4B1 ARG 166 HD3 -0.13 0.22 0.08 -0.04 3.22 3.35 1ok4B1 ILE 167 H 0.09 0.63 -0.16 -0.55 8.25 8.25 1ok4B1 ILE 167 HA 0.02 -0.01 0.35 -0.75 4.18 3.78 1ok4B1 ILE 167 HB 0.04 0.16 0.10 -0.04 1.89 2.15 1ok4B1 ILE 167 HG12 0.08 -0.08 -0.00 -0.04 1.49 1.45 1ok4B1 ILE 167 HG13 0.25 0.10 0.05 -0.04 1.21 1.57 1ok4B1 ILE 167 HG23 -0.04 -0.04 -0.14 -0.04 0.93 0.67 1ok4B1 ILE 167 HD13 -0.28 -0.04 -0.13 -0.04 0.88 0.39 1ok4B1 ALA 168 H -0.01 0.49 -0.22 -0.55 8.40 8.11 1ok4B1 ALA 168 HA -0.03 -0.06 0.38 -0.75 4.34 3.88 1ok4B1 ALA 168 HB3 -0.03 0.03 0.05 -0.04 1.41 1.43 1ok4B1 LEU 169 H -0.05 0.47 -0.17 -0.55 8.37 8.07 1ok4B1 LEU 169 HA -0.06 0.08 0.44 -0.75 4.35 4.06 1ok4B1 LEU 169 HB2 -0.07 0.08 0.16 -0.04 1.64 1.77 1ok4B1 LEU 169 HB3 -0.06 0.13 0.24 -0.04 1.64 1.90 1ok4B1 LEU 169 HG -0.05 -0.05 -0.30 -0.04 1.64 1.19 1ok4B1 LEU 169 HD13 -0.05 0.00 0.02 -0.04 0.93 0.86 1ok4B1 LEU 169 HD23 -0.07 -0.01 -0.06 -0.04 0.89 0.71 1ok4B1 GLU 170 H -0.05 0.55 -0.11 -0.55 8.60 8.45 1ok4B1 GLU 170 HA -0.04 0.02 0.29 -0.75 4.29 3.80 1ok4B1 GLU 170 HB2 -0.06 0.04 0.13 -0.04 2.09 2.16 1ok4B1 GLU 170 HB3 -0.05 -0.09 0.06 -0.04 1.99 1.87 1ok4B1 GLU 170 HG2 -0.03 0.15 0.09 -0.04 2.34 2.50 1ok4B1 GLU 170 HG3 -0.00 -0.09 -0.07 -0.04 2.34 2.13 1ok4B1 LEU 171 H -0.08 0.44 -0.26 -0.55 8.37 7.92 1ok4B1 LEU 171 HA -0.10 0.06 0.46 -0.75 4.35 4.02 1ok4B1 LEU 171 HB2 -0.10 0.04 0.06 -0.04 1.64 1.60 1ok4B1 LEU 171 HB3 -0.13 -0.09 0.08 -0.04 1.64 1.47 1ok4B1 LEU 171 HG -0.24 0.14 0.01 -0.04 1.64 1.50 1ok4B1 LEU 171 HD13 -0.52 -0.05 -0.08 -0.04 0.93 0.25 1ok4B1 LEU 171 HD23 -0.36 -0.01 -0.05 -0.04 0.89 0.43 1ok4B1 GLY 172 H -0.05 0.42 -0.32 -0.55 8.43 7.93 1ok4B1 GLY 172 HA2 -0.04 0.06 0.23 -0.51 4.01 3.75 1ok4B1 GLY 172 HA3 -0.04 0.07 0.71 -0.51 4.01 4.24 1ok4B1 ALA 173 H -0.05 0.42 0.07 -0.55 8.40 8.29 1ok4B1 ALA 173 HA -0.04 -0.04 0.46 -0.75 4.34 3.96 1ok4B1 ALA 173 HB3 -0.06 0.02 -0.03 -0.04 1.41 1.30 1ok4B1 ASP 174 H -0.08 0.50 0.42 -0.55 8.40 8.69 1ok4B1 ASP 174 HA -0.06 0.14 0.83 -0.75 4.63 4.78 1ok4B1 ASP 174 HB2 -0.08 -0.02 0.03 -0.04 2.71 2.60 1ok4B1 ASP 174 HB3 -0.02 -0.06 -0.14 -0.04 2.70 2.43 1ok4B1 ALA 175 H -0.22 0.35 0.28 -0.55 8.40 8.26 1ok4B1 ALA 175 HA -0.27 0.28 0.27 -0.75 4.34 3.86 1ok4B1 ALA 175 HB3 -0.93 -0.00 -0.06 -0.04 1.41 0.37 1ok4B1 MET 176 H -0.20 0.62 0.24 -0.55 8.47 8.58 1ok4B1 MET 176 HA -0.15 0.09 0.92 -0.75 4.52 4.63 1ok4B1 MET 176 HB2 -0.08 0.02 0.09 -0.04 2.15 2.14 1ok4B1 MET 176 HB3 -0.09 0.00 -0.20 -0.04 2.03 1.70 1ok4B1 MET 176 HG2 -0.11 0.22 -0.11 -0.04 2.63 2.59 1ok4B1 MET 176 HG3 -0.08 -0.14 -0.28 -0.04 2.56 2.02 1ok4B1 MET 176 HE3 -0.09 0.06 -0.13 -0.04 2.10 1.90 1ok4B1 LYS 177 H -0.22 0.66 0.33 -0.55 8.42 8.63 1ok4B1 LYS 177 HA -0.20 0.36 0.87 -0.75 4.32 4.60 1ok4B1 LYS 177 HB2 -0.84 0.00 -0.20 -0.04 1.87 0.80 1ok4B1 LYS 177 HB3 -1.02 -0.10 0.06 -0.04 1.79 0.69 1ok4B1 LYS 177 HG2 -0.28 -0.01 -0.21 -0.04 1.46 0.92 1ok4B1 LYS 177 HG3 -0.35 0.06 -0.21 -0.04 1.46 0.91 1ok4B1 LYS 177 HD2 -1.16 0.01 -0.16 -0.04 1.69 0.34 1ok4B1 LYS 177 HD3 -2.20 -0.05 -0.13 -0.04 1.68 -0.75 1ok4B1 LYS 177 HE2 -0.00 -0.04 -0.08 -0.04 2.99 2.83 1ok4B1 LYS 177 HE3 -0.13 0.13 -0.02 -0.04 2.99 2.93 1ok4B1 ILE 178 H 0.05 0.61 0.29 -0.55 8.25 8.65 1ok4B1 ILE 178 HA 0.26 0.18 0.76 -0.75 4.18 4.63 1ok4B1 ILE 178 HB 0.18 0.02 0.16 -0.04 1.89 2.21 1ok4B1 ILE 178 HG12 0.12 0.01 -0.09 -0.04 1.49 1.49 1ok4B1 ILE 178 HG13 0.39 0.00 -0.30 -0.04 1.21 1.26 1ok4B1 ILE 178 HG23 0.04 0.01 -0.21 -0.04 0.93 0.73 1ok4B1 ILE 178 HD13 -0.09 0.01 -0.12 -0.04 0.88 0.64 1ok4B1 LYS 179 H 0.23 0.22 0.16 -0.55 8.42 8.47 1ok4B1 LYS 179 HA 0.11 0.01 0.59 -0.75 4.32 4.28 1ok4B1 LYS 179 HB2 0.09 0.10 0.06 -0.04 1.87 2.08 1ok4B1 LYS 179 HB3 0.05 0.08 -0.02 -0.04 1.79 1.85 1ok4B1 LYS 179 HG2 -0.10 -0.05 -0.04 -0.04 1.46 1.22 1ok4B1 LYS 179 HG3 -0.13 0.01 -0.01 -0.04 1.46 1.29 1ok4B1 LYS 179 HD2 -0.10 0.07 -0.05 -0.04 1.69 1.57 1ok4B1 LYS 179 HD3 -0.04 -0.01 -0.12 -0.04 1.68 1.47 1ok4B1 LYS 179 HE2 -0.15 0.01 -0.05 -0.04 2.99 2.77 1ok4B1 LYS 179 HE3 -0.11 -0.03 -0.05 -0.04 2.99 2.77 1ok4B1 TYR 180 H 0.11 0.16 0.18 -0.55 8.29 8.19 1ok4B1 TYR 180 HA -0.50 0.10 0.60 -0.75 4.56 4.00 1ok4B1 TYR 180 HB2 -0.29 0.10 0.11 -0.04 3.06 2.94 1ok4B1 TYR 180 HB3 -0.15 0.02 0.09 -0.04 2.98 2.90 1ok4B1 TYR 180 HD2 -0.87 0.08 0.02 -0.04 7.15 6.34 1ok4B1 TYR 180 HE2 -0.21 0.10 -0.18 -0.04 6.85 6.51 1ok4B1 THR 181 H -0.25 0.13 0.16 -0.55 8.28 7.78 1ok4B1 THR 181 HA -0.07 0.32 0.65 -0.75 4.39 4.54 1ok4B1 THR 181 HB -0.04 0.00 0.10 -0.04 4.32 4.34 1ok4B1 THR 181 HG23 0.20 0.04 -0.09 -0.04 1.22 1.34 1ok4B1 GLY 182 H -1.80 0.03 -0.19 -0.55 8.43 5.92 1ok4B1 GLY 182 HA2 -0.39 0.02 0.25 -0.51 4.01 3.39 1ok4B1 GLY 182 HA3 -0.25 0.20 0.71 -0.51 4.01 4.17 1ok4B1 ASP 183 H -0.48 0.11 -0.15 -0.55 8.40 7.33 1ok4B1 ASP 183 HA 0.01 0.23 0.41 -0.75 4.63 4.53 1ok4B1 ASP 183 HB2 0.00 0.05 0.15 -0.04 2.71 2.87 1ok4B1 ASP 183 HB3 -0.05 0.15 -0.16 -0.04 2.70 2.60 1ok4B1 PRO 184 HA 0.27 0.10 0.31 -0.51 4.44 4.61 1ok4B1 PRO 184 HB2 0.10 0.11 -0.09 -0.04 2.28 2.36 1ok4B1 PRO 184 HB3 0.11 0.23 0.15 -0.04 2.02 2.48 1ok4B1 PRO 184 HG2 0.06 0.01 0.08 -0.04 2.03 2.14 1ok4B1 PRO 184 HG3 0.06 0.11 0.09 -0.04 2.03 2.25 1ok4B1 PRO 184 HD2 0.06 0.11 0.23 -0.04 3.68 4.03 1ok4B1 PRO 184 HD3 0.13 0.17 0.15 -0.04 3.65 4.06 1ok4B1 LYS 185 H 0.07 0.09 -0.17 -0.55 8.42 7.86 1ok4B1 LYS 185 HA 0.08 0.20 0.45 -0.75 4.32 4.29 1ok4B1 LYS 185 HB2 0.04 0.05 0.09 -0.04 1.87 2.00 1ok4B1 LYS 185 HB3 0.03 -0.08 0.09 -0.04 1.79 1.80 1ok4B1 LYS 185 HG2 0.01 -0.02 -0.13 -0.04 1.46 1.28 1ok4B1 LYS 185 HG3 0.04 0.05 0.02 -0.04 1.46 1.53 1ok4B1 LYS 185 HD2 0.01 0.05 -0.00 -0.04 1.69 1.71 1ok4B1 LYS 185 HD3 0.01 -0.01 0.01 -0.04 1.68 1.64 1ok4B1 LYS 185 HE2 -0.01 0.02 -0.01 -0.04 2.99 2.95 1ok4B1 LYS 185 HE3 -0.01 -0.03 -0.02 -0.04 2.99 2.89 1ok4B1 THR 186 H 0.07 0.09 -0.08 -0.55 8.28 7.81 1ok4B1 THR 186 HA 0.12 0.11 0.44 -0.75 4.39 4.30 1ok4B1 THR 186 HB 0.10 -0.02 0.10 -0.04 4.32 4.46 1ok4B1 THR 186 HG23 0.02 0.01 0.04 -0.04 1.22 1.25 1ok4B1 PHE 187 H 0.24 0.37 -0.16 -0.55 8.34 8.23 1ok4B1 PHE 187 HA 0.08 0.02 0.43 -0.75 4.62 4.39 1ok4B1 PHE 187 HB2 0.10 -0.11 0.10 -0.04 3.15 3.20 1ok4B1 PHE 187 HB3 0.18 0.16 0.01 -0.04 3.06 3.37 1ok4B1 PHE 187 HD2 0.11 0.01 -0.00 -0.04 7.28 7.36 1ok4B1 PHE 187 HE2 0.06 0.17 -0.11 -0.04 7.38 7.46 1ok4B1 PHE 187 HZ 0.04 0.03 -0.22 -0.04 7.32 7.13 1ok4B1 SER 188 H 0.18 0.37 -0.33 -0.55 8.46 8.14 1ok4B1 SER 188 HA 0.01 0.19 0.50 -0.75 4.49 4.43 1ok4B1 SER 188 HB2 0.08 0.08 0.18 -0.04 3.95 4.25 1ok4B1 SER 188 HB3 0.12 0.08 0.25 -0.04 3.93 4.34 1ok4B1 TRP 189 H 0.26 0.28 -0.26 -0.55 7.97 7.70 1ok4B1 TRP 189 HA -0.03 0.07 0.58 -0.75 4.62 4.48 1ok4B1 TRP 189 HB2 -0.01 -0.00 0.13 -0.04 3.23 3.30 1ok4B1 TRP 189 HB3 -0.02 0.15 0.17 -0.04 3.23 3.50 1ok4B1 TRP 189 HD1 -0.01 -0.01 -0.07 -0.04 7.22 7.09 1ok4B1 TRP 189 HE1 -0.03 -0.03 -0.05 -0.04 10.20 10.05 1ok4B1 TRP 189 HE3 -0.02 0.04 0.06 -0.04 7.59 7.63 1ok4B1 TRP 189 HZ2 -0.03 -0.01 -0.02 -0.04 7.44 7.33 1ok4B1 TRP 189 HZ3 -0.02 0.03 -0.00 -0.04 7.13 7.09 1ok4B1 TRP 189 HH2 -0.02 0.01 -0.01 -0.04 7.19 7.12 1ok4B1 ALA 190 H -0.04 0.28 -0.14 -0.55 8.40 7.95 1ok4B1 ALA 190 HA -0.33 -0.01 0.45 -0.75 4.34 3.69 1ok4B1 ALA 190 HB3 -0.28 0.03 0.01 -0.04 1.41 1.12 1ok4B1 VAL 191 H -0.33 0.44 -0.13 -0.55 8.24 7.67 1ok4B1 VAL 191 HA -0.24 0.00 0.28 -0.75 4.13 3.42 1ok4B1 VAL 191 HB -0.12 0.13 0.14 -0.04 2.12 2.23 1ok4B1 VAL 191 HG13 -0.07 0.01 -0.19 -0.04 0.97 0.68 1ok4B1 VAL 191 HG23 -0.31 -0.02 -0.15 -0.04 0.95 0.43 1ok4B1 LYS 192 H -0.17 0.39 -0.28 -0.55 8.42 7.81 1ok4B1 LYS 192 HA -0.11 0.08 0.47 -0.75 4.32 4.02 1ok4B1 LYS 192 HB2 0.01 0.08 0.16 -0.04 1.87 2.08 1ok4B1 LYS 192 HB3 -0.20 0.02 0.21 -0.04 1.79 1.78 1ok4B1 LYS 192 HG2 -0.11 -0.05 -0.11 -0.04 1.46 1.15 1ok4B1 LYS 192 HG3 -0.05 -0.01 0.07 -0.04 1.46 1.43 1ok4B1 LYS 192 HD2 0.08 0.03 0.02 -0.04 1.69 1.77 1ok4B1 LYS 192 HD3 0.25 -0.03 0.01 -0.04 1.68 1.87 1ok4B1 LYS 192 HE2 0.09 -0.01 -0.00 -0.04 2.99 3.03 1ok4B1 LYS 192 HE3 0.23 -0.05 -0.01 -0.04 2.99 3.12 1ok4B1 VAL 193 H -0.54 0.52 -0.08 -0.55 8.24 7.58 1ok4B1 VAL 193 HA -0.37 0.04 0.44 -0.75 4.13 3.49 1ok4B1 VAL 193 HB -0.38 -0.07 0.10 -0.04 2.12 1.72 1ok4B1 VAL 193 HG13 -1.35 0.02 0.03 -0.04 0.97 -0.37 1ok4B1 VAL 193 HG23 -0.42 0.02 0.00 -0.04 0.95 0.51 1ok4B1 ALA 194 H -0.23 0.36 -0.45 -0.55 8.40 7.53 1ok4B1 ALA 194 HA -0.13 0.01 0.49 -0.75 4.34 3.95 1ok4B1 ALA 194 HB3 -0.13 0.05 -0.01 -0.04 1.41 1.27 1ok4B1 GLY 195 H -0.14 0.36 -0.40 -0.55 8.43 7.70 1ok4B1 GLY 195 HA2 -0.08 0.06 0.32 -0.51 4.01 3.80 1ok4B1 GLY 195 HA3 -0.07 -0.10 0.22 -0.51 4.01 3.55 1ok4B1 LYS 196 H -0.05 0.07 0.17 -0.55 8.42 8.06 1ok4B1 LYS 196 HA -0.03 0.09 0.35 -0.75 4.32 3.98 1ok4B1 LYS 196 HB2 -0.03 0.01 0.05 -0.04 1.87 1.87 1ok4B1 LYS 196 HB3 -0.01 -0.03 0.13 -0.04 1.79 1.83 1ok4B1 LYS 196 HG2 -0.01 0.01 0.04 -0.04 1.46 1.45 1ok4B1 LYS 196 HG3 -0.02 -0.04 0.05 -0.04 1.46 1.41 1ok4B1 LYS 196 HD2 -0.02 0.01 0.03 -0.04 1.69 1.67 1ok4B1 LYS 196 HD3 -0.01 -0.01 0.03 -0.04 1.68 1.64 1ok4B1 LYS 196 HE2 -0.01 0.00 0.01 -0.04 2.99 2.96 1ok4B1 LYS 196 HE3 -0.01 -0.01 0.01 -0.04 2.99 2.94 1ok4B1 VAL 197 H -0.06 0.49 -0.33 -0.55 8.24 7.79 1ok4B1 VAL 197 HA -0.05 0.16 0.78 -0.75 4.13 4.26 1ok4B1 VAL 197 HB -0.08 0.08 0.04 -0.04 2.12 2.12 1ok4B1 VAL 197 HG13 -0.11 0.00 -0.53 -0.04 0.97 0.29 1ok4B1 VAL 197 HG23 -0.06 -0.03 -0.04 -0.04 0.95 0.78 1ok4B1 PRO 198 HA -0.03 0.12 0.48 -0.51 4.44 4.50 1ok4B1 PRO 198 HB2 0.03 -0.07 -0.10 -0.04 2.28 2.10 1ok4B1 PRO 198 HB3 0.04 0.09 0.06 -0.04 2.02 2.16 1ok4B1 PRO 198 HG2 -0.11 -0.09 0.13 -0.04 2.03 1.91 1ok4B1 PRO 198 HG3 0.09 0.05 0.07 -0.04 2.03 2.20 1ok4B1 PRO 198 HD2 -0.08 0.27 0.29 -0.04 3.68 4.12 1ok4B1 PRO 198 HD3 -0.01 0.27 0.23 -0.04 3.65 4.10 1ok4B1 VAL 199 H -0.03 0.15 0.21 -0.55 8.24 8.03 1ok4B1 VAL 199 HA -0.08 0.17 0.76 -0.75 4.13 4.23 1ok4B1 VAL 199 HB -0.06 -0.03 0.12 -0.04 2.12 2.11 1ok4B1 VAL 199 HG13 -0.03 -0.04 -0.28 -0.04 0.97 0.57 1ok4B1 VAL 199 HG23 -0.13 0.06 -0.16 -0.04 0.95 0.68 1ok4B1 LEU 200 H -0.08 0.83 0.34 -0.55 8.37 8.91 1ok4B1 LEU 200 HA -0.01 0.22 0.73 -0.75 4.35 4.53 1ok4B1 LEU 200 HB2 -0.18 -0.02 0.02 -0.04 1.64 1.42 1ok4B1 LEU 200 HB3 -0.10 -0.10 -0.28 -0.04 1.64 1.13 1ok4B1 LEU 200 HG -0.04 0.03 -0.37 -0.04 1.64 1.22 1ok4B1 LEU 200 HD13 -0.07 -0.02 -0.31 -0.04 0.93 0.49 1ok4B1 LEU 200 HD23 0.03 0.02 -0.42 -0.04 0.89 0.48 1ok4B1 MET 201 H -0.01 0.69 0.33 -0.55 8.47 8.94 1ok4B1 MET 201 HA 0.09 0.20 0.74 -0.75 4.52 4.80 1ok4B1 MET 201 HB2 -0.18 0.02 0.06 -0.04 2.15 2.02 1ok4B1 MET 201 HB3 -0.14 0.01 0.13 -0.04 2.03 1.98 1ok4B1 MET 201 HG2 -0.08 0.19 -0.22 -0.04 2.63 2.48 1ok4B1 MET 201 HG3 -0.42 -0.10 -0.04 -0.04 2.56 1.96 1ok4B1 MET 201 HE3 -0.24 0.02 -0.05 -0.04 2.10 1.79 1ok4B1 SER 202 H 0.07 0.68 0.27 -0.55 8.46 8.94 1ok4B1 SER 202 HA 0.02 0.15 0.71 -0.75 4.49 4.61 1ok4B1 SER 202 HB2 0.16 0.04 -0.12 -0.04 3.95 3.99 1ok4B1 SER 202 HB3 0.10 -0.04 -0.02 -0.04 3.93 3.93 1ok4B1 GLY 203 H 0.07 0.33 0.29 -0.55 8.43 8.58 1ok4B1 GLY 203 HA2 0.29 0.10 0.18 -0.51 4.01 4.07 1ok4B1 GLY 203 HA3 0.08 -0.17 0.34 -0.51 4.01 3.76 1ok4B1 GLY 204 H 0.05 -0.07 -0.12 -0.55 8.43 7.74 1ok4B1 GLY 204 HA2 0.00 -0.01 0.23 -0.51 4.01 3.72 1ok4B1 GLY 204 HA3 0.03 0.21 0.46 -0.51 4.01 4.20 1ok4B1 PRO 205 HA -0.16 -0.04 0.41 -0.51 4.44 4.14 1ok4B1 PRO 205 HB2 -0.05 0.10 -0.09 -0.04 2.28 2.20 1ok4B1 PRO 205 HB3 -0.07 0.03 0.06 -0.04 2.02 2.00 1ok4B1 PRO 205 HG2 -0.02 0.06 0.04 -0.04 2.03 2.07 1ok4B1 PRO 205 HG3 -0.04 0.03 0.05 -0.04 2.03 2.03 1ok4B1 PRO 205 HD2 -0.01 0.16 0.16 -0.04 3.68 3.95 1ok4B1 PRO 205 HD3 -0.02 0.06 0.14 -0.04 3.65 3.79 1ok4B1 LYS 206 H -0.17 0.05 0.07 -0.55 8.42 7.82 1ok4B1 LYS 206 HA -0.21 -0.03 0.32 -0.75 4.32 3.64 1ok4B1 LYS 206 HB2 -0.19 -0.05 -0.02 -0.04 1.87 1.58 1ok4B1 LYS 206 HB3 -0.12 -0.00 0.04 -0.04 1.79 1.66 1ok4B1 LYS 206 HG2 -0.12 0.22 -0.25 -0.04 1.46 1.27 1ok4B1 LYS 206 HG3 -0.19 -0.06 -0.07 -0.04 1.46 1.09 1ok4B1 LYS 206 HD2 -0.12 -0.03 -0.17 -0.04 1.69 1.33 1ok4B1 LYS 206 HD3 -0.13 -0.02 -0.20 -0.04 1.68 1.29 1ok4B1 LYS 206 HE2 -0.06 -0.01 -0.06 -0.04 2.99 2.82 1ok4B1 LYS 206 HE3 -0.07 -0.01 -0.09 -0.04 2.99 2.77 1ok4B1 THR 207 H -0.11 0.04 0.12 -0.55 8.28 7.79 1ok4B1 THR 207 HA -0.02 0.12 0.47 -0.75 4.39 4.21 1ok4B1 THR 207 HB 0.03 -0.16 0.11 -0.04 4.32 4.27 1ok4B1 THR 207 HG23 0.14 0.03 -0.00 -0.04 1.22 1.34 1ok4B1 LYS 208 H -0.01 0.10 0.14 -0.55 8.42 8.09 1ok4B1 LYS 208 HA -0.04 0.13 0.33 -0.75 4.32 3.99 1ok4B1 LYS 208 HB2 -0.01 -0.09 0.13 -0.04 1.87 1.86 1ok4B1 LYS 208 HB3 -0.02 0.03 0.03 -0.04 1.79 1.79 1ok4B1 LYS 208 HG2 -0.02 0.05 0.04 -0.04 1.46 1.49 1ok4B1 LYS 208 HG3 -0.01 -0.02 0.09 -0.04 1.46 1.48 1ok4B1 LYS 208 HD2 -0.01 -0.02 0.03 -0.04 1.69 1.64 1ok4B1 LYS 208 HD3 -0.01 0.02 0.02 -0.04 1.68 1.67 1ok4B1 LYS 208 HE2 -0.01 0.02 0.01 -0.04 2.99 2.98 1ok4B1 LYS 208 HE3 -0.00 -0.01 0.02 -0.04 2.99 2.96 1ok4B1 THR 209 H -0.02 0.03 -0.02 -0.55 8.28 7.72 1ok4B1 THR 209 HA -0.06 0.31 0.84 -0.75 4.39 4.72 1ok4B1 THR 209 HB -0.02 -0.06 0.15 -0.04 4.32 4.34 1ok4B1 THR 209 HG23 -0.02 0.05 -0.12 -0.04 1.22 1.09 1ok4B1 GLU 210 H -0.11 0.23 0.13 -0.55 8.60 8.31 1ok4B1 GLU 210 HA -0.31 0.14 0.55 -0.75 4.29 3.92 1ok4B1 GLU 210 HB2 -0.10 -0.01 0.13 -0.04 2.09 2.06 1ok4B1 GLU 210 HB3 -0.18 0.07 0.01 -0.04 1.99 1.85 1ok4B1 GLU 210 HG2 -0.98 0.07 0.04 -0.04 2.34 1.42 1ok4B1 GLU 210 HG3 -0.31 -0.01 0.06 -0.04 2.34 2.04 1ok4B1 GLU 211 H 0.01 0.10 -0.08 -0.55 8.60 8.09 1ok4B1 GLU 211 HA 0.09 0.13 0.41 -0.75 4.29 4.16 1ok4B1 GLU 211 HB2 0.03 0.03 0.09 -0.04 2.09 2.20 1ok4B1 GLU 211 HB3 0.02 -0.02 0.01 -0.04 1.99 1.95 1ok4B1 GLU 211 HG2 0.02 0.05 -0.02 -0.04 2.34 2.35 1ok4B1 GLU 211 HG3 0.02 0.01 -0.11 -0.04 2.34 2.22 1ok4B1 ASP 212 H 0.03 0.06 -0.41 -0.55 8.40 7.53 1ok4B1 ASP 212 HA 0.03 0.10 0.38 -0.75 4.63 4.39 1ok4B1 ASP 212 HB2 0.04 0.08 0.12 -0.04 2.71 2.92 1ok4B1 ASP 212 HB3 0.05 0.06 -0.02 -0.04 2.70 2.75 1ok4B1 PHE 213 H 0.19 0.29 -0.13 -0.55 8.34 8.14 1ok4B1 PHE 213 HA 0.00 0.06 0.46 -0.75 4.62 4.39 1ok4B1 PHE 213 HB2 0.02 -0.04 0.14 -0.04 3.15 3.22 1ok4B1 PHE 213 HB3 0.20 0.11 0.13 -0.04 3.06 3.46 1ok4B1 PHE 213 HD2 0.14 0.05 -0.05 -0.04 7.28 7.38 1ok4B1 PHE 213 HE2 -0.05 0.12 -0.03 -0.04 7.38 7.37 1ok4B1 PHE 213 HZ -0.07 -0.04 -0.10 -0.04 7.32 7.07 1ok4B1 LEU 214 H 0.23 0.52 -0.07 -0.55 8.37 8.50 1ok4B1 LEU 214 HA -0.10 0.04 0.46 -0.75 4.35 4.00 1ok4B1 LEU 214 HB2 0.09 0.04 0.11 -0.04 1.64 1.84 1ok4B1 LEU 214 HB3 0.01 0.02 -0.02 -0.04 1.64 1.62 1ok4B1 LEU 214 HG 0.46 0.05 0.01 -0.04 1.64 2.11 1ok4B1 LEU 214 HD13 0.18 -0.02 -0.09 -0.04 0.93 0.95 1ok4B1 LEU 214 HD23 -0.06 0.01 -0.07 -0.04 0.89 0.72 1ok4B1 LYS 215 H -0.02 0.48 -0.26 -0.55 8.42 8.07 1ok4B1 LYS 215 HA -0.05 0.04 0.47 -0.75 4.32 4.03 1ok4B1 LYS 215 HB2 -0.01 0.12 0.20 -0.04 1.87 2.15 1ok4B1 LYS 215 HB3 -0.01 -0.03 -0.04 -0.04 1.79 1.67 1ok4B1 LYS 215 HG2 -0.00 -0.01 0.03 -0.04 1.46 1.43 1ok4B1 LYS 215 HG3 -0.00 0.01 0.02 -0.04 1.46 1.45 1ok4B1 LYS 215 HD2 0.01 -0.01 -0.03 -0.04 1.69 1.62 1ok4B1 LYS 215 HD3 0.01 -0.04 -0.09 -0.04 1.68 1.53 1ok4B1 LYS 215 HE2 0.01 0.03 -0.00 -0.04 2.99 2.99 1ok4B1 LYS 215 HE3 0.01 -0.00 -0.01 -0.04 2.99 2.95 1ok4B1 GLN 216 H -0.14 0.48 -0.08 -0.55 8.47 8.18 1ok4B1 GLN 216 HA -0.14 -0.02 0.43 -0.75 4.36 3.87 1ok4B1 GLN 216 HB2 -0.42 0.18 0.23 -0.04 2.15 2.10 1ok4B1 GLN 216 HB3 -0.45 -0.06 0.02 -0.04 2.02 1.49 1ok4B1 GLN 216 HG2 0.15 -0.07 0.03 -0.04 2.40 2.48 1ok4B1 GLN 216 HG3 0.00 0.14 0.08 -0.04 2.39 2.57 1ok4B1 GLN 216 HE21 0.10 0.01 -0.02 -0.04 6.97 7.02 1ok4B1 GLN 216 HE22 0.09 -0.01 -0.01 -0.04 7.69 7.71 1ok4B1 VAL 217 H -0.48 0.52 -0.19 -0.55 8.24 7.53 1ok4B1 VAL 217 HA -0.46 -0.02 0.21 -0.75 4.13 3.10 1ok4B1 VAL 217 HB -0.31 0.13 0.14 -0.04 2.12 2.03 1ok4B1 VAL 217 HG13 -0.23 0.01 -0.16 -0.04 0.97 0.55 1ok4B1 VAL 217 HG23 -0.72 0.03 -0.04 -0.04 0.95 0.18 1ok4B1 GLU 218 H -0.18 0.50 -0.14 -0.55 8.60 8.24 1ok4B1 GLU 218 HA -0.10 0.08 0.36 -0.75 4.29 3.88 1ok4B1 GLU 218 HB2 -0.08 0.07 0.19 -0.04 2.09 2.23 1ok4B1 GLU 218 HB3 -0.05 -0.04 -0.06 -0.04 1.99 1.80 1ok4B1 GLU 218 HG2 -0.04 0.02 0.04 -0.04 2.34 2.31 1ok4B1 GLU 218 HG3 -0.07 0.03 0.03 -0.04 2.34 2.29 1ok4B1 GLY 219 H -0.14 0.51 -0.27 -0.55 8.43 7.98 1ok4B1 GLY 219 HA2 0.02 -0.00 0.43 -0.51 4.01 3.94 1ok4B1 GLY 219 HA3 0.02 0.00 0.29 -0.51 4.01 3.82 1ok4B1 VAL 220 H -0.39 0.58 -0.08 -0.55 8.24 7.80 1ok4B1 VAL 220 HA -0.06 -0.07 0.41 -0.75 4.13 3.66 1ok4B1 VAL 220 HB -0.37 0.21 0.17 -0.04 2.12 2.09 1ok4B1 VAL 220 HG13 -0.09 0.00 -0.17 -0.04 0.97 0.67 1ok4B1 VAL 220 HG23 -0.93 -0.03 -0.02 -0.04 0.95 -0.07 1ok4B1 LEU 221 H -0.11 0.51 -0.17 -0.55 8.37 8.06 1ok4B1 LEU 221 HA -0.01 0.14 0.43 -0.75 4.35 4.15 1ok4B1 LEU 221 HB2 -0.06 0.03 0.13 -0.04 1.64 1.71 1ok4B1 LEU 221 HB3 -0.03 0.03 0.03 -0.04 1.64 1.63 1ok4B1 LEU 221 HG -0.12 0.08 -0.02 -0.04 1.64 1.54 1ok4B1 LEU 221 HD13 -0.09 -0.02 -0.08 -0.04 0.93 0.70 1ok4B1 LEU 221 HD23 -0.06 -0.01 -0.08 -0.04 0.89 0.70 1ok4B1 GLU 222 H -0.01 0.49 -0.08 -0.55 8.60 8.46 1ok4B1 GLU 222 HA 0.02 0.06 0.49 -0.75 4.29 4.10 1ok4B1 GLU 222 HB2 0.04 0.05 0.19 -0.04 2.09 2.32 1ok4B1 GLU 222 HB3 0.04 -0.09 0.04 -0.04 1.99 1.94 1ok4B1 GLU 222 HG2 0.01 -0.03 0.05 -0.04 2.34 2.33 1ok4B1 GLU 222 HG3 -0.00 0.16 0.10 -0.04 2.34 2.55 1ok4B1 ALA 223 H 0.10 0.37 -0.31 -0.55 8.40 8.01 1ok4B1 ALA 223 HA 0.11 0.05 0.59 -0.75 4.34 4.33 1ok4B1 ALA 223 HB3 0.29 -0.03 0.04 -0.04 1.41 1.67 1ok4B1 GLY 224 H 0.06 0.34 -0.46 -0.55 8.43 7.82 1ok4B1 GLY 224 HA2 0.03 0.09 0.26 -0.51 4.01 3.87 1ok4B1 GLY 224 HA3 0.02 0.05 0.52 -0.51 4.01 4.10 1ok4B1 ALA 225 H 0.09 0.25 0.01 -0.55 8.40 8.21 1ok4B1 ALA 225 HA 0.02 0.04 0.61 -0.75 4.34 4.26 1ok4B1 ALA 225 HB3 0.17 0.01 0.04 -0.04 1.41 1.59 1ok4B1 LEU 226 H 0.02 0.26 0.31 -0.55 8.37 8.41 1ok4B1 LEU 226 HA 0.03 0.21 0.59 -0.75 4.35 4.43 1ok4B1 LEU 226 HB2 0.05 -0.04 0.08 -0.04 1.64 1.68 1ok4B1 LEU 226 HB3 0.05 -0.02 -0.12 -0.04 1.64 1.51 1ok4B1 LEU 226 HG 0.09 -0.11 -0.20 -0.04 1.64 1.38 1ok4B1 LEU 226 HD13 0.08 0.05 -0.02 -0.04 0.93 0.99 1ok4B1 LEU 226 HD23 0.23 -0.01 -0.24 -0.04 0.89 0.83 1ok4B1 GLY 227 H 0.01 0.25 0.06 -0.55 8.43 8.21 1ok4B1 GLY 227 HA2 -0.06 0.05 0.26 -0.51 4.01 3.75 1ok4B1 GLY 227 HA3 -0.04 0.30 0.76 -0.51 4.01 4.52 1ok4B1 ILE 228 H -0.09 0.64 0.34 -0.55 8.25 8.60 1ok4B1 ILE 228 HA -0.07 0.12 1.04 -0.75 4.18 4.52 1ok4B1 ILE 228 HB -0.03 -0.02 -0.09 -0.04 1.89 1.72 1ok4B1 ILE 228 HG12 -0.18 0.12 0.13 -0.04 1.49 1.51 1ok4B1 ILE 228 HG13 -0.15 -0.10 -0.09 -0.04 1.21 0.84 1ok4B1 ILE 228 HG23 -0.18 -0.00 -0.23 -0.04 0.93 0.48 1ok4B1 ILE 228 HD13 -0.06 -0.01 -0.09 -0.04 0.88 0.68 1ok4B1 ALA 229 H -0.06 0.76 0.14 -0.55 8.40 8.69 1ok4B1 ALA 229 HA -0.04 0.24 0.84 -0.75 4.34 4.62 1ok4B1 ALA 229 HB3 -0.15 -0.02 -0.05 -0.04 1.41 1.15 1ok4B1 VAL 230 H 0.00 0.72 0.23 -0.55 8.24 8.63 1ok4B1 VAL 230 HA 0.04 -0.02 0.97 -0.75 4.13 4.36 1ok4B1 VAL 230 HB 0.10 0.07 -0.16 -0.04 2.12 2.08 1ok4B1 VAL 230 HG13 -0.05 0.05 -0.07 -0.04 0.97 0.86 1ok4B1 VAL 230 HG23 -0.16 -0.01 -0.21 -0.04 0.95 0.53 1ok4B1 GLY 231 H -0.05 0.02 0.10 -0.55 8.43 7.96 1ok4B1 GLY 231 HA2 0.21 0.35 0.99 -0.51 4.01 5.06 1ok4B1 GLY 231 HA3 0.30 0.03 0.39 -0.51 4.01 4.22 1ok4B1 ARG 232 H -0.44 0.17 0.14 -0.55 8.46 7.78 1ok4B1 ARG 232 HA -1.61 0.09 0.19 -0.75 4.34 2.26 1ok4B1 ARG 232 HB2 -0.43 0.16 0.10 -0.04 1.90 1.69 1ok4B1 ARG 232 HB3 -0.45 0.02 0.01 -0.04 1.80 1.34 1ok4B1 ARG 232 HG2 -0.63 0.10 0.02 -0.04 1.67 1.11 1ok4B1 ARG 232 HG3 -0.88 -0.09 0.04 -0.04 1.67 0.69 1ok4B1 ARG 232 HD2 -0.35 -0.02 -0.00 -0.04 3.22 2.81 1ok4B1 ARG 232 HD3 -0.54 0.03 -0.03 -0.04 3.22 2.64 1ok4B1 ASN 233 H -0.43 0.05 -0.22 -0.55 8.53 7.38 1ok4B1 ASN 233 HA -0.35 0.09 0.30 -0.75 4.76 4.04 1ok4B1 ASN 233 HB2 -0.90 -0.06 -0.04 -0.04 2.88 1.83 1ok4B1 ASN 233 HB3 -1.11 0.05 -0.01 -0.04 2.79 1.68 1ok4B1 ASN 233 HD21 -0.17 0.35 -0.25 -0.04 7.03 6.92 1ok4B1 ASN 233 HD22 -0.37 -0.03 -0.31 -0.04 7.74 6.99 1ok4B1 VAL 234 H -0.30 0.24 -0.56 -0.55 8.24 7.07 1ok4B1 VAL 234 HA 0.19 0.19 0.83 -0.75 4.13 4.58 1ok4B1 VAL 234 HB 0.09 0.05 0.06 -0.04 2.12 2.28 1ok4B1 VAL 234 HG13 0.24 0.03 -0.16 -0.04 0.97 1.03 1ok4B1 VAL 234 HG23 0.17 -0.01 -0.16 -0.04 0.95 0.91 1ok4B1 TRP 235 H -0.34 0.46 0.13 -0.55 7.97 7.66 1ok4B1 TRP 235 HA 0.17 0.12 0.21 -0.75 4.62 4.36 1ok4B1 TRP 235 HB2 0.25 0.01 0.10 -0.04 3.23 3.55 1ok4B1 TRP 235 HB3 0.16 0.01 0.03 -0.04 3.23 3.38 1ok4B1 TRP 235 HD1 0.19 0.02 0.03 -0.04 7.22 7.42 1ok4B1 TRP 235 HE1 0.44 0.42 0.19 -0.04 10.20 11.21 1ok4B1 TRP 235 HE3 0.26 0.08 -0.60 -0.04 7.59 7.29 1ok4B1 TRP 235 HZ2 1.27 -0.13 -0.04 -0.04 7.44 8.49 1ok4B1 TRP 235 HZ3 0.23 0.23 -0.26 -0.04 7.13 7.30 1ok4B1 TRP 235 HH2 0.04 -0.06 -0.13 -0.04 7.19 6.99 1ok4B1 GLN 236 H -0.20 0.40 -0.20 -0.55 8.47 7.92 1ok4B1 GLN 236 HA 0.33 0.13 0.74 -0.75 4.36 4.81 1ok4B1 GLN 236 HB2 -0.26 0.22 0.16 -0.04 2.15 2.22 1ok4B1 GLN 236 HB3 -0.06 -0.04 -0.00 -0.04 2.02 1.88 1ok4B1 GLN 236 HG2 0.15 0.01 0.13 -0.04 2.40 2.65 1ok4B1 GLN 236 HG3 0.14 -0.02 0.04 -0.04 2.39 2.50 1ok4B1 GLN 236 HE21 -0.08 -0.07 0.04 -0.04 6.97 6.82 1ok4B1 GLN 236 HE22 0.09 0.30 0.18 -0.04 7.69 8.23 1ok4B1 ARG 237 H 0.08 0.36 -0.29 -0.55 8.46 8.06 1ok4B1 ARG 237 HA 0.01 0.13 0.67 -0.75 4.34 4.39 1ok4B1 ARG 237 HB2 0.06 0.18 -0.06 -0.04 1.90 2.03 1ok4B1 ARG 237 HB3 -0.02 -0.18 -0.10 -0.04 1.80 1.45 1ok4B1 ARG 237 HG2 -0.13 -0.00 -0.12 -0.04 1.67 1.37 1ok4B1 ARG 237 HG3 -0.11 0.02 -0.21 -0.04 1.67 1.33 1ok4B1 ARG 237 HD2 -0.18 0.07 -0.03 -0.04 3.22 3.05 1ok4B1 ARG 237 HD3 -0.37 -0.11 -0.05 -0.04 3.22 2.65 1ok4B1 ARG 238 H 0.03 0.16 0.12 -0.55 8.46 8.22 1ok4B1 ARG 238 HA 0.07 0.14 0.45 -0.75 4.34 4.25 1ok4B1 ARG 238 HB2 0.02 -0.04 0.13 -0.04 1.90 1.98 1ok4B1 ARG 238 HB3 0.03 0.01 0.14 -0.04 1.80 1.94 1ok4B1 ARG 238 HG2 0.03 0.04 0.09 -0.04 1.67 1.79 1ok4B1 ARG 238 HG3 0.03 0.02 0.02 -0.04 1.67 1.71 1ok4B1 ARG 238 HD2 0.01 -0.04 0.07 -0.04 3.22 3.22 1ok4B1 ARG 238 HD3 0.02 0.13 0.10 -0.04 3.22 3.42 1ok4B1 ASP 239 H 0.04 0.06 -0.15 -0.55 8.40 7.80 1ok4B1 ASP 239 HA 0.07 0.23 0.82 -0.75 4.63 5.00 1ok4B1 ASP 239 HB2 0.07 -0.03 0.16 -0.04 2.71 2.86 1ok4B1 ASP 239 HB3 0.04 0.06 0.05 -0.04 2.70 2.82 1ok4B1 ALA 240 H 0.14 0.37 -0.46 -0.55 8.40 7.90 1ok4B1 ALA 240 HA 0.18 0.11 0.18 -0.75 4.34 4.05 1ok4B1 ALA 240 HB3 0.23 0.06 -0.00 -0.04 1.41 1.65 1ok4B1 LEU 241 H 0.09 0.12 -0.18 -0.55 8.37 7.86 1ok4B1 LEU 241 HA -0.03 0.11 0.26 -0.75 4.35 3.94 1ok4B1 LEU 241 HB2 -0.01 0.02 0.04 -0.04 1.64 1.65 1ok4B1 LEU 241 HB3 0.03 -0.04 0.04 -0.04 1.64 1.62 1ok4B1 LEU 241 HG -0.02 0.01 -0.27 -0.04 1.64 1.32 1ok4B1 LEU 241 HD13 -0.10 0.02 -0.08 -0.04 0.93 0.72 1ok4B1 LEU 241 HD23 -0.02 0.01 -0.06 -0.04 0.89 0.79 1ok4B1 LYS 242 H 0.07 0.06 -0.20 -0.55 8.42 7.80 1ok4B1 LYS 242 HA 0.05 0.10 0.46 -0.75 4.32 4.17 1ok4B1 LYS 242 HB2 0.06 -0.02 0.09 -0.04 1.87 1.97 1ok4B1 LYS 242 HB3 0.10 0.05 0.10 -0.04 1.79 2.00 1ok4B1 LYS 242 HG2 0.09 -0.01 -0.14 -0.04 1.46 1.36 1ok4B1 LYS 242 HG3 0.05 0.03 0.03 -0.04 1.46 1.53 1ok4B1 LYS 242 HD2 0.05 -0.01 0.01 -0.04 1.69 1.70 1ok4B1 LYS 242 HD3 0.07 -0.03 -0.03 -0.04 1.68 1.65 1ok4B1 LYS 242 HE2 0.04 0.02 -0.00 -0.04 2.99 3.01 1ok4B1 LYS 242 HE3 0.04 -0.01 -0.01 -0.04 2.99 2.97 1ok4B1 PHE 243 H 0.23 0.56 -0.10 -0.55 8.34 8.48 1ok4B1 PHE 243 HA 0.05 0.01 0.51 -0.75 4.62 4.44 1ok4B1 PHE 243 HB2 0.03 -0.05 0.08 -0.04 3.15 3.16 1ok4B1 PHE 243 HB3 0.04 0.14 0.08 -0.04 3.06 3.27 1ok4B1 PHE 243 HD2 0.02 0.06 0.05 -0.04 7.28 7.37 1ok4B1 PHE 243 HE2 -0.01 -0.00 -0.04 -0.04 7.38 7.29 1ok4B1 PHE 243 HZ 0.30 -0.05 0.01 -0.04 7.32 7.54 1ok4B1 ALA 244 H 0.10 0.58 -0.12 -0.55 8.40 8.41 1ok4B1 ALA 244 HA 0.12 -0.04 0.43 -0.75 4.34 4.10 1ok4B1 ALA 244 HB3 -0.12 0.04 0.08 -0.04 1.41 1.36 1ok4B1 ARG 245 H -0.01 0.49 -0.17 -0.55 8.46 8.21 1ok4B1 ARG 245 HA 0.02 0.15 0.53 -0.75 4.34 4.28 1ok4B1 ARG 245 HB2 0.01 0.04 0.15 -0.04 1.90 2.06 1ok4B1 ARG 245 HB3 0.01 -0.03 0.07 -0.04 1.80 1.81 1ok4B1 ARG 245 HG2 -0.06 -0.02 0.06 -0.04 1.67 1.60 1ok4B1 ARG 245 HG3 -0.03 0.10 0.04 -0.04 1.67 1.74 1ok4B1 ARG 245 HD2 -0.00 -0.04 0.03 -0.04 3.22 3.16 1ok4B1 ARG 245 HD3 -0.03 0.23 0.06 -0.04 3.22 3.43 1ok4B1 ALA 246 H -0.03 0.36 -0.19 -0.55 8.40 7.98 1ok4B1 ALA 246 HA -0.02 0.06 0.60 -0.75 4.34 4.22 1ok4B1 ALA 246 HB3 -0.02 0.01 0.11 -0.04 1.41 1.46 1ok4B1 LEU 247 H -0.24 0.52 -0.15 -0.55 8.37 7.95 1ok4B1 LEU 247 HA -0.20 -0.03 0.46 -0.75 4.35 3.82 1ok4B1 LEU 247 HB2 -0.06 0.19 0.19 -0.04 1.64 1.92 1ok4B1 LEU 247 HB3 -0.16 -0.04 -0.05 -0.04 1.64 1.34 1ok4B1 LEU 247 HG -0.81 0.05 -0.01 -0.04 1.64 0.83 1ok4B1 LEU 247 HD13 -0.03 -0.03 -0.12 -0.04 0.93 0.71 1ok4B1 LEU 247 HD23 -0.03 -0.02 -0.05 -0.04 0.89 0.75 1ok4B1 ALA 248 H 0.06 0.54 -0.10 -0.55 8.40 8.36 1ok4B1 ALA 248 HA -0.30 -0.03 0.37 -0.75 4.34 3.63 1ok4B1 ALA 248 HB3 0.29 0.05 0.11 -0.04 1.41 1.81 1ok4B1 GLU 249 H 0.00 0.45 -0.24 -0.55 8.60 8.27 1ok4B1 GLU 249 HA 0.05 0.02 0.40 -0.75 4.29 4.01 1ok4B1 GLU 249 HB2 0.02 0.03 0.14 -0.04 2.09 2.24 1ok4B1 GLU 249 HB3 -0.01 0.08 0.16 -0.04 1.99 2.18 1ok4B1 GLU 249 HG2 0.01 -0.08 -0.04 -0.04 2.34 2.19 1ok4B1 GLU 249 HG3 0.01 0.04 -0.20 -0.04 2.34 2.14 1ok4B1 LEU 250 H -0.08 0.40 -0.20 -0.55 8.37 7.95 1ok4B1 LEU 250 HA -0.05 0.01 0.40 -0.75 4.35 3.95 1ok4B1 LEU 250 HB2 -0.07 -0.07 0.09 -0.04 1.64 1.55 1ok4B1 LEU 250 HB3 -0.13 0.07 0.17 -0.04 1.64 1.71 1ok4B1 LEU 250 HG -0.12 0.06 -0.33 -0.04 1.64 1.21 1ok4B1 LEU 250 HD13 -0.06 -0.01 0.00 -0.04 0.93 0.82 1ok4B1 LEU 250 HD23 -0.12 -0.05 -0.02 -0.04 0.89 0.66 1ok4B1 VAL 251 H -0.23 0.57 -0.08 -0.55 8.24 7.95 1ok4B1 VAL 251 HA -0.16 0.01 0.28 -0.75 4.13 3.51 1ok4B1 VAL 251 HB -0.65 0.04 0.04 -0.04 2.12 1.51 1ok4B1 VAL 251 HG13 -0.26 -0.00 -0.20 -0.04 0.97 0.46 1ok4B1 VAL 251 HG23 -0.25 -0.02 -0.02 -0.04 0.95 0.62 1ok4B1 TYR 252 H -0.23 0.57 -0.17 -0.55 8.29 7.90 1ok4B1 TYR 252 HA -0.01 -0.03 0.29 -0.75 4.56 4.05 1ok4B1 TYR 252 HB2 0.01 0.11 0.07 -0.04 3.06 3.20 1ok4B1 TYR 252 HB3 0.01 -0.12 0.04 -0.04 2.98 2.87 1ok4B1 TYR 252 HD2 0.02 0.03 -0.12 -0.04 7.15 7.04 1ok4B1 TYR 252 HE2 0.08 0.05 -0.16 -0.04 6.85 6.78