============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 -18.442 -27.042 8.011 -99.200 -91.000 PHE 8 1.000 -8.070 -8.040 1.406 -99.200 -91.000 HIS 9 0.900 -12.042 -13.561 -2.274 -99.200 -91.000 HIS 13 0.900 1.735 -6.025 -9.875 -99.200 -91.000 PHE 23 1.000 -1.697 -8.556 0.281 -99.200 -91.000 TRP 27 1.040 4.571 -4.022 10.469 -99.200 -91.000 TRP6 27 1.020 2.591 -3.601 11.759 -99.200 -91.000 TYR 31 0.840 -0.967 5.880 -2.055 -99.200 -91.000 PHE 32 1.000 -8.032 2.252 1.219 -99.200 -91.000 PHE 34 1.000 -8.167 9.526 -8.016 -99.200 -91.000 HIS 36 0.900 -4.045 13.974 -13.105 -99.200 -91.000 PHE 68 1.000 -3.305 2.994 -6.793 -99.200 -91.000 TYR 84 0.840 2.642 5.403 -10.777 -99.200 -91.000 PHE 88 1.000 7.432 6.032 -7.445 -99.200 -91.000 HIS 89 0.900 11.998 -2.484 -6.236 -99.200 -91.000 HIS 107 0.900 -20.419 -0.792 -0.824 -99.200 -91.000 TYR 109 0.840 -9.916 -2.123 3.887 -99.200 -91.000 TYR 112 0.840 -18.803 8.707 4.778 -99.200 -91.000 TYR 113 0.840 -16.114 4.952 -3.776 -99.200 -91.000 TYR 124 0.840 -13.597 17.176 -11.096 -99.200 -91.000 HIS 128 0.900 -5.328 11.094 -2.133 -99.200 -91.000 TYR 133 0.840 -4.895 2.057 9.501 -99.200 -91.000 PHE 141 1.000 -8.506 -3.079 10.221 -99.200 -91.000 TYR 144 0.840 -4.744 9.316 11.734 -99.200 -91.000 TYR 145 0.840 3.023 9.707 7.001 -99.200 -91.000 HIS 161 0.900 2.247 2.377 15.391 -99.200 -91.000 PHE 165 1.000 2.118 -7.579 16.276 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2rliA6 SER 97 H -0.10 0.07 0.02 -0.55 8.46 7.90 2rliA6 SER 97 HA -0.30 -0.07 0.17 -0.75 4.49 3.53 2rliA6 SER 97 HB2 -0.68 0.00 -0.02 -0.04 3.95 3.20 2rliA6 SER 97 HB3 -1.51 -0.04 0.01 -0.04 3.93 2.34 2rliA6 PHE 98 H -0.29 0.12 0.03 -0.55 8.34 7.65 2rliA6 PHE 98 HA 0.00 0.01 0.39 -0.75 4.62 4.26 2rliA6 PHE 98 HB2 0.01 0.16 0.02 -0.04 3.15 3.29 2rliA6 PHE 98 HB3 0.00 -0.00 -0.00 -0.04 3.06 3.02 2rliA6 PHE 98 HD2 0.00 0.05 -0.05 -0.04 7.28 7.24 2rliA6 PHE 98 HE2 0.00 0.01 -0.02 -0.04 7.38 7.33 2rliA6 PHE 98 HZ 0.00 0.00 -0.02 -0.04 7.32 7.27 2rliA6 THR 99 H 0.14 0.65 0.42 -0.55 8.28 8.95 2rliA6 THR 99 HA 0.05 0.06 0.52 -0.75 4.39 4.26 2rliA6 THR 99 HB 0.08 0.13 -0.18 -0.04 4.32 4.30 2rliA6 THR 99 HG23 0.07 -0.00 -0.08 -0.04 1.22 1.16 2rliA6 GLY 100 H 0.03 0.15 0.13 -0.55 8.43 8.19 2rliA6 GLY 100 HA2 0.02 0.13 0.17 -0.51 4.01 3.82 2rliA6 GLY 100 HA3 0.01 0.03 0.28 -0.51 4.01 3.83 2rliA6 GLN 101 H 0.03 0.20 -0.13 -0.55 8.47 8.03 2rliA6 GLN 101 HA 0.01 0.09 0.69 -0.75 4.36 4.40 2rliA6 GLN 101 HB2 -0.02 -0.12 0.01 -0.04 2.15 1.98 2rliA6 GLN 101 HB3 -0.01 0.20 -0.15 -0.04 2.02 2.03 2rliA6 GLN 101 HG2 -0.00 -0.09 -0.13 -0.04 2.40 2.14 2rliA6 GLN 101 HG3 -0.01 -0.00 -0.10 -0.04 2.39 2.23 2rliA6 GLN 101 HE21 -0.06 -0.11 -0.10 -0.04 6.97 6.65 2rliA6 GLN 101 HE22 -0.05 0.06 -0.07 -0.04 7.69 7.58 2rliA6 GLY 102 H 0.02 0.15 0.16 -0.55 8.43 8.21 2rliA6 GLY 102 HA2 0.05 0.17 0.77 -0.51 4.01 4.50 2rliA6 GLY 102 HA3 0.06 0.06 0.30 -0.51 4.01 3.92 2rliA6 ASP 103 H -0.03 -0.05 0.07 -0.55 8.40 7.85 2rliA6 ASP 103 HA -0.18 0.01 0.34 -0.75 4.63 4.05 2rliA6 ASP 103 HB2 -0.16 0.24 -0.30 -0.04 2.71 2.45 2rliA6 ASP 103 HB3 -0.38 -0.14 0.24 -0.04 2.70 2.38 2rliA6 PHE 104 H -0.51 -0.08 0.24 -0.55 8.34 7.44 2rliA6 PHE 104 HA -0.01 0.21 0.71 -0.75 4.62 4.78 2rliA6 PHE 104 HB2 0.08 -0.01 0.04 -0.04 3.15 3.22 2rliA6 PHE 104 HB3 0.06 0.08 0.06 -0.04 3.06 3.21 2rliA6 PHE 104 HD2 0.07 0.09 -0.28 -0.04 7.28 7.12 2rliA6 PHE 104 HE2 0.16 0.06 -0.24 -0.04 7.38 7.32 2rliA6 PHE 104 HZ -0.11 0.07 -0.16 -0.04 7.32 7.08 2rliA6 HIS 105 H 0.29 0.20 0.08 -0.55 8.41 8.43 2rliA6 HIS 105 HA 0.25 0.34 0.83 -0.75 4.63 5.29 2rliA6 HIS 105 HB2 0.12 -0.03 0.05 -0.04 3.26 3.36 2rliA6 HIS 105 HB3 0.11 -0.02 -0.05 -0.04 3.20 3.19 2rliA6 HIS 105 HD2 0.08 -0.03 -0.12 -0.04 6.97 6.86 2rliA6 HIS 105 HE1 0.05 0.23 -0.04 -0.04 7.75 7.94 2rliA6 LEU 106 H 0.24 0.52 0.26 -0.55 8.37 8.84 2rliA6 LEU 106 HA 0.11 0.11 0.57 -0.75 4.35 4.40 2rliA6 LEU 106 HB2 0.09 -0.00 -0.06 -0.04 1.64 1.62 2rliA6 LEU 106 HB3 0.06 -0.01 0.02 -0.04 1.64 1.67 2rliA6 LEU 106 HG 0.00 -0.04 -0.46 -0.04 1.64 1.09 2rliA6 LEU 106 HD13 -0.14 0.01 -0.16 -0.04 0.93 0.59 2rliA6 LEU 106 HD23 0.03 0.01 -0.04 -0.04 0.89 0.86 2rliA6 LEU 107 H 0.08 0.66 0.34 -0.55 8.37 8.91 2rliA6 LEU 107 HA 0.07 0.21 0.80 -0.75 4.35 4.68 2rliA6 LEU 107 HB2 0.06 -0.04 0.02 -0.04 1.64 1.63 2rliA6 LEU 107 HB3 0.05 0.03 -0.03 -0.04 1.64 1.64 2rliA6 LEU 107 HG 0.06 -0.04 0.03 -0.04 1.64 1.65 2rliA6 LEU 107 HD13 0.04 -0.02 -0.01 -0.04 0.93 0.90 2rliA6 LEU 107 HD23 0.05 0.03 -0.24 -0.04 0.89 0.69 2rliA6 ASP 108 H 0.03 0.65 0.32 -0.55 8.40 8.86 2rliA6 ASP 108 HA 0.04 0.36 0.85 -0.75 4.63 5.12 2rliA6 ASP 108 HB2 -0.20 0.01 0.18 -0.04 2.71 2.65 2rliA6 ASP 108 HB3 -0.01 0.07 0.10 -0.04 2.70 2.83 2rliA6 HIS 109 H -0.17 0.26 0.22 -0.55 8.41 8.18 2rliA6 HIS 109 HA 0.02 0.06 0.36 -0.75 4.63 4.32 2rliA6 HIS 109 HB2 -0.00 0.01 0.11 -0.04 3.26 3.33 2rliA6 HIS 109 HB3 0.00 -0.04 0.10 -0.04 3.20 3.22 2rliA6 HIS 109 HD2 -0.01 0.01 -0.17 -0.04 6.97 6.76 2rliA6 HIS 109 HE1 0.01 0.35 0.16 -0.04 7.75 8.22 2rliA6 ARG 110 H -0.11 -0.06 -0.63 -0.55 8.46 7.11 2rliA6 ARG 110 HA 0.03 0.20 0.47 -0.75 4.34 4.28 2rliA6 ARG 110 HB2 -0.06 -0.04 0.02 -0.04 1.90 1.78 2rliA6 ARG 110 HB3 -0.01 0.03 0.15 -0.04 1.80 1.93 2rliA6 ARG 110 HG2 0.07 0.14 0.07 -0.04 1.67 1.91 2rliA6 ARG 110 HG3 -0.00 -0.02 -0.15 -0.04 1.67 1.45 2rliA6 ARG 110 HD2 0.01 -0.01 0.03 -0.04 3.22 3.22 2rliA6 ARG 110 HD3 0.04 0.03 0.00 -0.04 3.22 3.25 2rliA6 GLY 111 H -0.00 0.46 -0.01 -0.55 8.43 8.33 2rliA6 GLY 111 HA2 0.02 0.02 0.28 -0.51 4.01 3.83 2rliA6 GLY 111 HA3 0.02 0.10 0.37 -0.51 4.01 3.99 2rliA6 ARG 112 H -0.01 -0.03 -0.09 -0.55 8.46 7.77 2rliA6 ARG 112 HA 0.01 0.18 0.81 -0.75 4.34 4.58 2rliA6 ARG 112 HB2 -0.01 0.07 -0.01 -0.04 1.90 1.91 2rliA6 ARG 112 HB3 -0.02 -0.07 -0.00 -0.04 1.80 1.67 2rliA6 ARG 112 HG2 0.00 0.13 -0.23 -0.04 1.67 1.53 2rliA6 ARG 112 HG3 0.01 -0.03 0.07 -0.04 1.67 1.68 2rliA6 ARG 112 HD2 -0.01 0.00 -0.02 -0.04 3.22 3.15 2rliA6 ARG 112 HD3 -0.03 -0.02 -0.06 -0.04 3.22 3.07 2rliA6 ALA 113 H 0.04 0.17 0.13 -0.55 8.40 8.18 2rliA6 ALA 113 HA 0.10 0.18 0.67 -0.75 4.34 4.54 2rliA6 ALA 113 HB3 0.12 0.01 0.05 -0.04 1.41 1.55 2rliA6 ARG 114 H 0.14 0.70 0.43 -0.55 8.46 9.18 2rliA6 ARG 114 HA 0.05 0.08 0.74 -0.75 4.34 4.46 2rliA6 ARG 114 HB2 0.17 0.00 0.04 -0.04 1.90 2.07 2rliA6 ARG 114 HB3 0.38 -0.01 -0.13 -0.04 1.80 2.00 2rliA6 ARG 114 HG2 0.15 0.00 -0.08 -0.04 1.67 1.71 2rliA6 ARG 114 HG3 -0.13 0.02 -0.01 -0.04 1.67 1.51 2rliA6 ARG 114 HD2 0.01 -0.04 -0.21 -0.04 3.22 2.93 2rliA6 ARG 114 HD3 -0.06 -0.00 -0.06 -0.04 3.22 3.06 2rliA6 CYS 115 H 0.02 0.15 0.18 -0.55 8.50 8.30 2rliA6 CYS 115 HA -0.10 0.46 0.89 -0.75 4.58 5.07 2rliA6 CYS 115 HB2 -0.06 -0.02 0.06 -0.04 2.97 2.91 2rliA6 CYS 115 HB3 -0.16 -0.10 0.08 -0.04 2.97 2.75 2rliA6 LYS 116 H -0.68 0.14 0.21 -0.55 8.42 7.54 2rliA6 LYS 116 HA -0.44 0.12 0.33 -0.75 4.32 3.57 2rliA6 LYS 116 HB2 -1.62 -0.08 0.18 -0.04 1.87 0.31 2rliA6 LYS 116 HB3 -0.45 -0.03 0.12 -0.04 1.79 1.39 2rliA6 LYS 116 HG2 -0.17 0.06 -0.04 -0.04 1.46 1.27 2rliA6 LYS 116 HG3 -0.24 0.03 0.06 -0.04 1.46 1.26 2rliA6 LYS 116 HD2 -0.09 -0.04 0.01 -0.04 1.69 1.53 2rliA6 LYS 116 HD3 -0.14 -0.04 0.02 -0.04 1.68 1.48 2rliA6 LYS 116 HE2 -0.06 -0.02 0.13 -0.04 2.99 3.00 2rliA6 LYS 116 HE3 0.03 -0.04 0.05 -0.04 2.99 2.99 2rliA6 ALA 117 H -0.17 0.01 -0.24 -0.55 8.40 7.45 2rliA6 ALA 117 HA -0.06 0.15 0.38 -0.75 4.34 4.06 2rliA6 ALA 117 HB3 -0.07 0.01 -0.01 -0.04 1.41 1.31 2rliA6 ASP 118 H -0.11 0.39 -0.31 -0.55 8.40 7.83 2rliA6 ASP 118 HA -0.17 0.08 0.28 -0.75 4.63 4.07 2rliA6 ASP 118 HB2 -0.61 0.09 0.10 -0.04 2.71 2.25 2rliA6 ASP 118 HB3 -0.54 0.05 -0.07 -0.04 2.70 2.10 2rliA6 PHE 119 H -0.09 0.13 -0.27 -0.55 8.34 7.56 2rliA6 PHE 119 HA 0.01 0.08 0.35 -0.75 4.62 4.30 2rliA6 PHE 119 HB2 0.02 0.15 -0.03 -0.04 3.15 3.25 2rliA6 PHE 119 HB3 0.04 0.03 -0.04 -0.04 3.06 3.06 2rliA6 PHE 119 HD2 0.06 0.07 -0.09 -0.04 7.28 7.28 2rliA6 PHE 119 HE2 0.15 -0.01 -0.20 -0.04 7.38 7.28 2rliA6 PHE 119 HZ 0.08 -0.06 -0.15 -0.04 7.32 7.15 2rliA6 ARG 120 H 0.02 0.22 -0.61 -0.55 8.46 7.53 2rliA6 ARG 120 HA 0.01 0.03 0.05 -0.75 4.34 3.68 2rliA6 ARG 120 HB2 -0.01 -0.01 0.03 -0.04 1.90 1.88 2rliA6 ARG 120 HB3 -0.02 0.01 0.15 -0.04 1.80 1.89 2rliA6 ARG 120 HG2 -0.02 0.04 -0.46 -0.04 1.67 1.19 2rliA6 ARG 120 HG3 -0.02 -0.05 -0.40 -0.04 1.67 1.16 2rliA6 ARG 120 HD2 -0.02 0.13 -0.02 -0.04 3.22 3.27 2rliA6 ARG 120 HD3 -0.03 -0.11 -0.02 -0.04 3.22 3.02 2rliA6 GLY 121 H -0.01 0.61 0.17 -0.55 8.43 8.66 2rliA6 GLY 121 HA2 -0.07 0.08 0.50 -0.51 4.01 4.01 2rliA6 GLY 121 HA3 -0.04 -0.02 0.30 -0.51 4.01 3.74 2rliA6 GLN 122 H -0.08 0.31 0.33 -0.55 8.47 8.48 2rliA6 GLN 122 HA -0.17 0.02 0.33 -0.75 4.36 3.78 2rliA6 GLN 122 HB2 0.04 0.02 -0.03 -0.04 2.15 2.13 2rliA6 GLN 122 HB3 -0.02 0.14 0.30 -0.04 2.02 2.40 2rliA6 GLN 122 HG2 0.03 -0.06 -0.38 -0.04 2.40 1.95 2rliA6 GLN 122 HG3 0.08 -0.00 -0.21 -0.04 2.39 2.22 2rliA6 GLN 122 HE21 -0.02 0.38 -0.09 -0.04 6.97 7.21 2rliA6 GLN 122 HE22 -0.00 -0.07 -0.05 -0.04 7.69 7.52 2rliA6 TRP 123 H 0.09 0.39 0.22 -0.55 7.97 8.12 2rliA6 TRP 123 HA -0.01 0.09 0.61 -0.75 4.62 4.55 2rliA6 TRP 123 HB2 -0.04 0.05 0.17 -0.04 3.23 3.37 2rliA6 TRP 123 HB3 -0.03 -0.03 -0.11 -0.04 3.23 3.03 2rliA6 TRP 123 HD1 -0.08 0.12 -0.04 -0.04 7.22 7.18 2rliA6 TRP 123 HE1 -0.13 0.02 -0.05 -0.04 10.20 9.99 2rliA6 TRP 123 HE3 0.01 0.19 -0.21 -0.04 7.59 7.54 2rliA6 TRP 123 HZ2 -0.13 0.05 -0.13 -0.04 7.44 7.19 2rliA6 TRP 123 HZ3 0.10 -0.03 -0.37 -0.04 7.13 6.79 2rliA6 TRP 123 HH2 0.19 0.04 -0.13 -0.04 7.19 7.26 2rliA6 VAL 124 H 0.30 0.72 0.32 -0.55 8.24 9.03 2rliA6 VAL 124 HA 0.11 0.30 0.93 -0.75 4.13 4.71 2rliA6 VAL 124 HB 0.07 -0.02 0.10 -0.04 2.12 2.23 2rliA6 VAL 124 HG13 -0.14 -0.03 -0.24 -0.04 0.97 0.51 2rliA6 VAL 124 HG23 0.04 0.04 -0.13 -0.04 0.95 0.86 2rliA6 LEU 125 H 0.04 0.79 0.23 -0.55 8.37 8.88 2rliA6 LEU 125 HA 0.00 0.22 0.96 -0.75 4.35 4.78 2rliA6 LEU 125 HB2 -0.02 0.02 -0.06 -0.04 1.64 1.54 2rliA6 LEU 125 HB3 -0.02 -0.09 0.12 -0.04 1.64 1.61 2rliA6 LEU 125 HG -0.11 0.02 -0.05 -0.04 1.64 1.46 2rliA6 LEU 125 HD13 -0.12 -0.01 -0.08 -0.04 0.93 0.69 2rliA6 LEU 125 HD23 -0.03 -0.01 -0.15 -0.04 0.89 0.67 2rliA6 MET 126 H 0.03 0.71 0.30 -0.55 8.47 8.97 2rliA6 MET 126 HA -0.18 0.12 0.63 -0.75 4.52 4.34 2rliA6 MET 126 HB2 -0.05 0.03 -0.03 -0.04 2.15 2.07 2rliA6 MET 126 HB3 0.05 -0.03 0.12 -0.04 2.03 2.13 2rliA6 MET 126 HG2 -0.83 -0.02 -0.26 -0.04 2.63 1.49 2rliA6 MET 126 HG3 -0.55 -0.01 -0.07 -0.04 2.56 1.90 2rliA6 MET 126 HE3 0.24 -0.00 -0.14 -0.04 2.10 2.16 2rliA6 TYR 127 H -0.24 0.55 0.38 -0.55 8.29 8.43 2rliA6 TYR 127 HA -0.21 0.15 0.90 -0.75 4.56 4.65 2rliA6 TYR 127 HB2 -0.13 0.03 -0.15 -0.04 3.06 2.76 2rliA6 TYR 127 HB3 -0.15 0.01 0.17 -0.04 2.98 2.96 2rliA6 TYR 127 HD2 -0.20 0.01 -0.29 -0.04 7.15 6.63 2rliA6 TYR 127 HE2 -0.09 -0.05 -0.09 -0.04 6.85 6.57 2rliA6 PHE 128 H -0.10 0.34 0.21 -0.55 8.34 8.23 2rliA6 PHE 128 HA -0.26 0.25 0.96 -0.75 4.62 4.81 2rliA6 PHE 128 HB2 -0.12 -0.01 0.08 -0.04 3.15 3.06 2rliA6 PHE 128 HB3 -0.13 -0.01 -0.02 -0.04 3.06 2.86 2rliA6 PHE 128 HD2 -0.18 0.09 -0.14 -0.04 7.28 7.02 2rliA6 PHE 128 HE2 -0.34 0.02 -0.19 -0.04 7.38 6.83 2rliA6 PHE 128 HZ -1.04 0.04 -0.14 -0.04 7.32 6.14 2rliA6 GLY 129 H -0.32 0.79 0.35 -0.55 8.43 8.71 2rliA6 GLY 129 HA2 -0.06 0.11 0.76 -0.51 4.01 4.31 2rliA6 GLY 129 HA3 -1.00 -0.01 0.13 -0.51 4.01 2.62 2rliA6 PHE 130 H -0.18 -0.07 0.16 -0.55 8.34 7.69 2rliA6 PHE 130 HA 0.11 0.07 0.56 -0.75 4.62 4.61 2rliA6 PHE 130 HB2 0.06 0.04 0.12 -0.04 3.15 3.34 2rliA6 PHE 130 HB3 0.03 0.09 -0.12 -0.04 3.06 3.02 2rliA6 PHE 130 HD2 0.08 0.03 -0.33 -0.04 7.28 7.02 2rliA6 PHE 130 HE2 0.06 0.08 -0.12 -0.04 7.38 7.36 2rliA6 PHE 130 HZ -0.04 0.14 0.01 -0.04 7.32 7.39 2rliA6 THR 131 H -0.87 -0.12 0.08 -0.55 8.28 6.83 2rliA6 THR 131 HA -0.20 -0.08 0.31 -0.75 4.39 3.67 2rliA6 THR 131 HB -0.00 0.16 -0.18 -0.04 4.32 4.26 2rliA6 THR 131 HG23 -0.19 0.01 -0.12 -0.04 1.22 0.89 2rliA6 HIS 132 H -0.21 -0.02 0.05 -0.55 8.41 7.69 2rliA6 HIS 132 HA -0.05 -0.02 0.36 -0.75 4.63 4.17 2rliA6 HIS 132 HB2 0.01 0.06 0.04 -0.04 3.26 3.34 2rliA6 HIS 132 HB3 0.14 0.05 0.41 -0.04 3.20 3.76 2rliA6 HIS 132 HD2 0.10 -0.04 -0.01 -0.04 6.97 6.98 2rliA6 HIS 132 HE1 0.04 0.03 -0.03 -0.04 7.75 7.75 2rliA6 CYS 133 H -0.08 0.18 0.18 -0.55 8.50 8.24 2rliA6 CYS 133 HA 0.00 0.25 0.68 -0.75 4.58 4.77 2rliA6 CYS 133 HB2 0.09 0.02 0.11 -0.04 2.97 3.15 2rliA6 CYS 133 HB3 0.05 0.04 0.14 -0.04 2.97 3.15 2rliA6 PRO 134 HA -0.08 0.16 0.54 -0.51 4.44 4.55 2rliA6 PRO 134 HB2 -0.02 -0.08 0.08 -0.04 2.28 2.22 2rliA6 PRO 134 HB3 -0.03 0.11 0.11 -0.04 2.02 2.18 2rliA6 PRO 134 HG2 -0.07 0.07 0.08 -0.04 2.03 2.07 2rliA6 PRO 134 HG3 -0.08 0.15 0.12 -0.04 2.03 2.18 2rliA6 PRO 134 HD2 -0.05 -0.03 0.27 -0.04 3.68 3.83 2rliA6 PRO 134 HD3 -0.06 0.23 0.23 -0.04 3.65 4.00 2rliA6 ASP 135 H 0.02 -0.21 -0.07 -0.55 8.40 7.60 2rliA6 ASP 135 HA 0.04 0.18 0.63 -0.75 4.63 4.73 2rliA6 ASP 135 HB2 0.02 0.04 -0.58 -0.04 2.71 2.15 2rliA6 ASP 135 HB3 0.03 -0.02 -0.16 -0.04 2.70 2.51 2rliA6 ILE 136 H 0.09 -0.13 0.17 -0.55 8.25 7.83 2rliA6 ILE 136 HA 0.09 0.23 0.50 -0.75 4.18 4.25 2rliA6 ILE 136 HB 0.19 -0.04 0.15 -0.04 1.89 2.15 2rliA6 ILE 136 HG12 0.08 0.10 0.00 -0.04 1.49 1.63 2rliA6 ILE 136 HG13 0.06 0.08 -0.16 -0.04 1.21 1.15 2rliA6 ILE 136 HG23 0.11 0.02 -0.02 -0.04 0.93 1.00 2rliA6 ILE 136 HD13 0.04 -0.04 0.05 -0.04 0.88 0.89 2rliA6 CYS 137 H 0.18 -0.01 0.16 -0.55 8.50 8.29 2rliA6 CYS 137 HA 0.25 0.07 0.32 -0.75 4.58 4.46 2rliA6 CYS 137 HB2 0.15 -0.01 0.14 -0.04 2.97 3.21 2rliA6 CYS 137 HB3 0.19 0.08 0.01 -0.04 2.97 3.20 2rliA6 PRO 138 HA 0.23 0.10 0.49 -0.51 4.44 4.75 2rliA6 PRO 138 HB2 0.17 0.10 -0.01 -0.04 2.28 2.50 2rliA6 PRO 138 HB3 0.24 0.04 0.04 -0.04 2.02 2.30 2rliA6 PRO 138 HG2 0.11 0.14 -0.09 -0.04 2.03 2.15 2rliA6 PRO 138 HG3 0.12 0.08 -0.06 -0.04 2.03 2.14 2rliA6 PRO 138 HD2 0.12 -0.00 -0.53 -0.04 3.68 3.22 2rliA6 PRO 138 HD3 0.14 0.06 -0.02 -0.04 3.65 3.80 2rliA6 ASP 139 H 0.12 0.34 -0.20 -0.55 8.40 8.11 2rliA6 ASP 139 HA 0.09 0.09 0.63 -0.75 4.63 4.69 2rliA6 ASP 139 HB2 0.07 0.06 0.16 -0.04 2.71 2.96 2rliA6 ASP 139 HB3 0.09 0.11 0.28 -0.04 2.70 3.14 2rliA6 GLU 140 H 0.11 0.47 0.03 -0.55 8.60 8.66 2rliA6 GLU 140 HA 0.07 0.00 0.35 -0.75 4.29 3.96 2rliA6 GLU 140 HB2 0.11 0.02 0.03 -0.04 2.09 2.21 2rliA6 GLU 140 HB3 0.22 0.09 0.04 -0.04 1.99 2.30 2rliA6 GLU 140 HG2 -0.08 0.00 -0.03 -0.04 2.34 2.18 2rliA6 GLU 140 HG3 0.05 0.01 -0.02 -0.04 2.34 2.34 2rliA6 LEU 141 H 0.06 0.51 -0.18 -0.55 8.37 8.21 2rliA6 LEU 141 HA -0.17 0.04 0.47 -0.75 4.35 3.93 2rliA6 LEU 141 HB2 -0.20 0.03 0.17 -0.04 1.64 1.59 2rliA6 LEU 141 HB3 -1.24 0.03 0.01 -0.04 1.64 0.40 2rliA6 LEU 141 HG -0.12 0.01 0.02 -0.04 1.64 1.51 2rliA6 LEU 141 HD13 -0.25 -0.03 -0.11 -0.04 0.93 0.50 2rliA6 LEU 141 HD23 -0.53 -0.00 -0.05 -0.04 0.89 0.27 2rliA6 GLU 142 H 0.12 0.48 -0.09 -0.55 8.60 8.56 2rliA6 GLU 142 HA 0.21 0.05 0.43 -0.75 4.29 4.22 2rliA6 GLU 142 HB2 0.20 0.12 0.22 -0.04 2.09 2.58 2rliA6 GLU 142 HB3 0.10 0.03 0.18 -0.04 1.99 2.25 2rliA6 GLU 142 HG2 0.06 -0.02 0.03 -0.04 2.34 2.37 2rliA6 GLU 142 HG3 0.07 -0.05 0.04 -0.04 2.34 2.36 2rliA6 LYS 143 H 0.04 0.64 -0.14 -0.55 8.42 8.40 2rliA6 LYS 143 HA 0.00 -0.02 0.45 -0.75 4.32 4.00 2rliA6 LYS 143 HB2 0.04 0.05 0.05 -0.04 1.87 1.97 2rliA6 LYS 143 HB3 0.01 0.08 0.16 -0.04 1.79 2.00 2rliA6 LYS 143 HG2 -0.07 -0.00 -0.14 -0.04 1.46 1.21 2rliA6 LYS 143 HG3 0.03 -0.08 0.00 -0.04 1.46 1.37 2rliA6 LYS 143 HD2 0.05 0.01 -0.03 -0.04 1.69 1.69 2rliA6 LYS 143 HD3 0.22 -0.02 -0.06 -0.04 1.68 1.79 2rliA6 LYS 143 HE2 0.09 0.00 -0.08 -0.04 2.99 2.97 2rliA6 LYS 143 HE3 0.08 0.06 -0.42 -0.04 2.99 2.67 2rliA6 LEU 144 H -0.05 0.65 -0.04 -0.55 8.37 8.38 2rliA6 LEU 144 HA -0.12 -0.02 0.47 -0.75 4.35 3.93 2rliA6 LEU 144 HB2 -0.11 -0.03 0.06 -0.04 1.64 1.52 2rliA6 LEU 144 HB3 -0.12 -0.02 0.10 -0.04 1.64 1.56 2rliA6 LEU 144 HG -0.10 0.12 0.22 -0.04 1.64 1.84 2rliA6 LEU 144 HD13 -0.10 -0.00 -0.15 -0.04 0.93 0.64 2rliA6 LEU 144 HD23 0.02 -0.02 -0.09 -0.04 0.89 0.76 2rliA6 VAL 145 H -0.05 0.71 -0.06 -0.55 8.24 8.29 2rliA6 VAL 145 HA -0.05 0.02 0.40 -0.75 4.13 3.75 2rliA6 VAL 145 HB -0.01 0.05 0.10 -0.04 2.12 2.22 2rliA6 VAL 145 HG13 0.11 0.01 0.00 -0.04 0.97 1.06 2rliA6 VAL 145 HG23 0.00 0.00 0.02 -0.04 0.95 0.93 2rliA6 GLN 146 H -0.01 0.57 -0.20 -0.55 8.47 8.29 2rliA6 GLN 146 HA -0.02 0.03 0.58 -0.75 4.36 4.20 2rliA6 GLN 146 HB2 -0.01 0.16 0.27 -0.04 2.15 2.52 2rliA6 GLN 146 HB3 -0.02 -0.10 0.05 -0.04 2.02 1.91 2rliA6 GLN 146 HG2 -0.00 -0.04 0.06 -0.04 2.40 2.38 2rliA6 GLN 146 HG3 0.01 0.07 0.09 -0.04 2.39 2.51 2rliA6 GLN 146 HE21 0.02 0.39 -0.49 -0.04 6.97 6.85 2rliA6 GLN 146 HE22 0.02 -0.09 -0.12 -0.04 7.69 7.46 2rliA6 VAL 147 H -0.06 0.54 -0.03 -0.55 8.24 8.14 2rliA6 VAL 147 HA -0.06 -0.04 0.39 -0.75 4.13 3.66 2rliA6 VAL 147 HB -0.11 0.14 0.20 -0.04 2.12 2.30 2rliA6 VAL 147 HG13 -0.13 -0.01 -0.08 -0.04 0.97 0.71 2rliA6 VAL 147 HG23 -0.12 0.01 0.07 -0.04 0.95 0.87 2rliA6 VAL 148 H -0.06 0.68 -0.08 -0.55 8.24 8.22 2rliA6 VAL 148 HA -0.05 0.01 0.40 -0.75 4.13 3.74 2rliA6 VAL 148 HB -0.06 0.07 0.17 -0.04 2.12 2.26 2rliA6 VAL 148 HG13 -0.05 0.00 -0.06 -0.04 0.97 0.81 2rliA6 VAL 148 HG23 -0.05 0.01 -0.03 -0.04 0.95 0.84 2rliA6 ARG 149 H -0.05 0.53 -0.11 -0.55 8.46 8.28 2rliA6 ARG 149 HA -0.05 0.03 0.42 -0.75 4.34 3.98 2rliA6 ARG 149 HB2 -0.04 0.09 0.19 -0.04 1.90 2.11 2rliA6 ARG 149 HB3 -0.04 -0.05 0.01 -0.04 1.80 1.68 2rliA6 ARG 149 HG2 -0.07 0.09 0.10 -0.04 1.67 1.76 2rliA6 ARG 149 HG3 -0.04 -0.06 0.02 -0.04 1.67 1.55 2rliA6 ARG 149 HD2 -0.05 -0.02 0.02 -0.04 3.22 3.13 2rliA6 ARG 149 HD3 -0.08 0.00 0.01 -0.04 3.22 3.10 2rliA6 GLN 150 H -0.04 0.58 -0.14 -0.55 8.47 8.33 2rliA6 GLN 150 HA -0.03 0.01 0.47 -0.75 4.36 4.06 2rliA6 GLN 150 HB2 -0.03 0.02 0.07 -0.04 2.15 2.17 2rliA6 GLN 150 HB3 -0.04 0.06 0.16 -0.04 2.02 2.16 2rliA6 GLN 150 HG2 -0.03 0.02 -0.08 -0.04 2.40 2.27 2rliA6 GLN 150 HG3 -0.02 -0.02 0.03 -0.04 2.39 2.34 2rliA6 GLN 150 HE21 -0.02 0.03 -0.05 -0.04 6.97 6.89 2rliA6 GLN 150 HE22 -0.03 -0.13 -0.11 -0.04 7.69 7.38 2rliA6 LEU 151 H -0.04 0.63 -0.01 -0.55 8.37 8.40 2rliA6 LEU 151 HA -0.03 -0.02 0.48 -0.75 4.35 4.04 2rliA6 LEU 151 HB2 -0.04 0.10 0.19 -0.04 1.64 1.85 2rliA6 LEU 151 HB3 -0.02 0.11 0.03 -0.04 1.64 1.73 2rliA6 LEU 151 HG -0.03 -0.02 0.06 -0.04 1.64 1.61 2rliA6 LEU 151 HD13 -0.07 -0.02 -0.02 -0.04 0.93 0.78 2rliA6 LEU 151 HD23 -0.06 0.01 -0.05 -0.04 0.89 0.75 2rliA6 GLU 152 H -0.03 0.49 -0.09 -0.55 8.60 8.43 2rliA6 GLU 152 HA -0.01 0.05 0.43 -0.75 4.29 4.00 2rliA6 GLU 152 HB2 -0.03 0.05 0.10 -0.04 2.09 2.17 2rliA6 GLU 152 HB3 -0.02 -0.06 0.12 -0.04 1.99 1.99 2rliA6 GLU 152 HG2 -0.01 -0.01 -0.00 -0.04 2.34 2.28 2rliA6 GLU 152 HG3 -0.02 0.11 0.08 -0.04 2.34 2.46 2rliA6 ALA 153 H -0.02 0.25 -0.79 -0.55 8.40 7.30 2rliA6 ALA 153 HA -0.01 0.01 0.63 -0.75 4.34 4.21 2rliA6 ALA 153 HB3 -0.02 -0.01 0.13 -0.04 1.41 1.47 2rliA6 GLU 154 H -0.01 0.26 -0.03 -0.55 8.60 8.28 2rliA6 GLU 154 HA -0.01 0.09 0.52 -0.75 4.29 4.15 2rliA6 GLU 154 HB2 -0.01 0.02 0.08 -0.04 2.09 2.14 2rliA6 GLU 154 HB3 -0.00 0.08 0.03 -0.04 1.99 2.06 2rliA6 GLU 154 HG2 -0.01 0.01 0.01 -0.04 2.34 2.31 2rliA6 GLU 154 HG3 -0.01 -0.04 -0.07 -0.04 2.34 2.18 2rliA6 PRO 155 HA -0.00 0.09 0.67 -0.51 4.44 4.69 2rliA6 PRO 155 HB2 0.00 0.00 0.00 -0.04 2.28 2.24 2rliA6 PRO 155 HB3 -0.00 0.04 0.09 -0.04 2.02 2.11 2rliA6 PRO 155 HG2 0.00 0.02 0.11 -0.04 2.03 2.11 2rliA6 PRO 155 HG3 -0.00 0.01 0.08 -0.04 2.03 2.08 2rliA6 PRO 155 HD2 -0.00 0.06 0.22 -0.04 3.68 3.92 2rliA6 PRO 155 HD3 -0.00 0.18 0.19 -0.04 3.65 3.98 2rliA6 GLY 156 H 0.00 0.13 0.17 -0.55 8.43 8.19 2rliA6 GLY 156 HA2 0.00 0.01 0.32 -0.51 4.01 3.84 2rliA6 GLY 156 HA3 0.00 0.08 0.62 -0.51 4.01 4.20 2rliA6 LEU 157 H 0.00 0.03 -0.07 -0.55 8.37 7.79 2rliA6 LEU 157 HA 0.01 0.09 0.39 -0.75 4.35 4.09 2rliA6 LEU 157 HB2 0.00 0.04 0.01 -0.04 1.64 1.65 2rliA6 LEU 157 HB3 0.00 0.06 -0.07 -0.04 1.64 1.60 2rliA6 LEU 157 HG -0.00 0.15 0.01 -0.04 1.64 1.76 2rliA6 LEU 157 HD13 0.00 -0.05 0.07 -0.04 0.93 0.91 2rliA6 LEU 157 HD23 0.01 -0.05 -0.42 -0.04 0.89 0.39 2rliA6 PRO 158 HA 0.03 0.13 0.60 -0.51 4.44 4.70 2rliA6 PRO 158 HB2 0.21 0.05 -0.03 -0.04 2.28 2.46 2rliA6 PRO 158 HB3 0.09 0.00 0.07 -0.04 2.02 2.14 2rliA6 PRO 158 HG2 0.06 -0.02 0.05 -0.04 2.03 2.08 2rliA6 PRO 158 HG3 0.07 0.00 0.03 -0.04 2.03 2.09 2rliA6 PRO 158 HD2 0.02 0.09 0.19 -0.04 3.68 3.93 2rliA6 PRO 158 HD3 0.03 0.16 0.17 -0.04 3.65 3.97 2rliA6 PRO 159 HA 0.04 0.12 0.61 -0.51 4.44 4.70 2rliA6 PRO 159 HB2 0.03 0.03 -0.02 -0.04 2.28 2.29 2rliA6 PRO 159 HB3 0.02 0.04 0.08 -0.04 2.02 2.12 2rliA6 PRO 159 HG2 0.00 -0.03 0.15 -0.04 2.03 2.11 2rliA6 PRO 159 HG3 -0.00 0.07 0.11 -0.04 2.03 2.16 2rliA6 PRO 159 HD2 0.01 0.03 0.27 -0.04 3.68 3.94 2rliA6 PRO 159 HD3 0.01 0.24 0.23 -0.04 3.65 4.09 2rliA6 VAL 160 H 0.05 0.25 0.18 -0.55 8.24 8.18 2rliA6 VAL 160 HA 0.17 0.17 0.80 -0.75 4.13 4.52 2rliA6 VAL 160 HB 0.02 -0.02 -0.02 -0.04 2.12 2.06 2rliA6 VAL 160 HG13 0.04 -0.03 -0.24 -0.04 0.97 0.71 2rliA6 VAL 160 HG23 0.07 0.02 -0.28 -0.04 0.95 0.72 2rliA6 GLN 161 H 0.13 0.74 0.26 -0.55 8.47 9.05 2rliA6 GLN 161 HA 0.07 0.21 0.87 -0.75 4.36 4.76 2rliA6 GLN 161 HB2 0.17 0.05 0.06 -0.04 2.15 2.40 2rliA6 GLN 161 HB3 0.18 0.00 -0.10 -0.04 2.02 2.06 2rliA6 GLN 161 HG2 0.09 -0.04 -0.19 -0.04 2.40 2.22 2rliA6 GLN 161 HG3 0.13 -0.04 -0.08 -0.04 2.39 2.37 2rliA6 GLN 161 HE21 0.14 -0.06 -0.00 -0.04 6.97 7.00 2rliA6 GLN 161 HE22 0.09 0.46 0.17 -0.04 7.69 8.37 2rliA6 PRO 162 HA -0.00 0.17 0.86 -0.51 4.44 4.95 2rliA6 PRO 162 HB2 -0.05 -0.04 -0.04 -0.04 2.28 2.10 2rliA6 PRO 162 HB3 -0.03 -0.02 0.04 -0.04 2.02 1.97 2rliA6 PRO 162 HG2 -0.01 0.00 0.02 -0.04 2.03 2.01 2rliA6 PRO 162 HG3 -0.03 0.00 -0.04 -0.04 2.03 1.92 2rliA6 PRO 162 HD2 0.05 0.26 0.21 -0.04 3.68 4.15 2rliA6 PRO 162 HD3 0.01 0.14 0.02 -0.04 3.65 3.79 2rliA6 VAL 163 H -0.03 0.73 0.35 -0.55 8.24 8.73 2rliA6 VAL 163 HA 0.02 0.14 0.75 -0.75 4.13 4.29 2rliA6 VAL 163 HB -0.08 -0.02 -0.11 -0.04 2.12 1.86 2rliA6 VAL 163 HG13 -0.07 0.03 -0.25 -0.04 0.97 0.63 2rliA6 VAL 163 HG23 -0.27 -0.01 -0.11 -0.04 0.95 0.52 2rliA6 PHE 164 H 0.10 0.67 0.29 -0.55 8.34 8.85 2rliA6 PHE 164 HA -0.15 0.20 0.85 -0.75 4.62 4.78 2rliA6 PHE 164 HB2 -0.26 0.01 0.03 -0.04 3.15 2.89 2rliA6 PHE 164 HB3 -0.10 0.04 0.25 -0.04 3.06 3.21 2rliA6 PHE 164 HD2 -0.28 0.01 -0.25 -0.04 7.28 6.71 2rliA6 PHE 164 HE2 -0.09 -0.03 -0.19 -0.04 7.38 7.03 2rliA6 PHE 164 HZ -0.13 -0.19 -0.14 -0.04 7.32 6.82 2rliA6 ILE 165 H -0.43 0.77 0.35 -0.55 8.25 8.39 2rliA6 ILE 165 HA -0.08 0.22 0.91 -0.75 4.18 4.48 2rliA6 ILE 165 HB -0.57 0.01 0.09 -0.04 1.89 1.37 2rliA6 ILE 165 HG12 -0.28 0.00 -0.17 -0.04 1.49 1.01 2rliA6 ILE 165 HG13 -0.38 -0.03 -0.34 -0.04 1.21 0.41 2rliA6 ILE 165 HG23 -0.09 0.00 -0.24 -0.04 0.93 0.57 2rliA6 ILE 165 HD13 -0.67 0.00 -0.15 -0.04 0.88 0.02 2rliA6 THR 166 H 0.03 0.66 0.27 -0.55 8.28 8.69 2rliA6 THR 166 HA -0.03 0.10 0.49 -0.75 4.39 4.20 2rliA6 THR 166 HB 0.07 0.02 0.19 -0.04 4.32 4.55 2rliA6 THR 166 HG23 0.07 0.00 -0.29 -0.04 1.22 0.96 2rliA6 VAL 167 H -0.03 0.62 0.35 -0.55 8.24 8.63 2rliA6 VAL 167 HA -0.24 0.16 0.66 -0.75 4.13 3.96 2rliA6 VAL 167 HB -0.82 0.02 0.06 -0.04 2.12 1.33 2rliA6 VAL 167 HG13 -0.06 0.01 -0.07 -0.04 0.97 0.81 2rliA6 VAL 167 HG23 -0.12 0.03 -0.09 -0.04 0.95 0.73 2rliA6 ASP 168 H -0.03 0.12 -0.00 -0.55 8.40 7.95 2rliA6 ASP 168 HA -0.03 0.15 0.47 -0.75 4.63 4.47 2rliA6 ASP 168 HB2 0.00 0.16 -0.17 -0.04 2.71 2.66 2rliA6 ASP 168 HB3 0.05 -0.08 0.04 -0.04 2.70 2.67 2rliA6 PRO 169 HA 0.08 0.02 0.05 -0.51 4.44 4.09 2rliA6 PRO 169 HB2 0.05 0.05 0.21 -0.04 2.28 2.55 2rliA6 PRO 169 HB3 0.05 0.02 0.08 -0.04 2.02 2.13 2rliA6 PRO 169 HG2 0.05 0.06 0.07 -0.04 2.03 2.16 2rliA6 PRO 169 HG3 0.04 -0.05 0.08 -0.04 2.03 2.06 2rliA6 PRO 169 HD2 0.05 0.13 0.12 -0.04 3.68 3.93 2rliA6 PRO 169 HD3 0.02 0.15 0.06 -0.04 3.65 3.84 2rliA6 GLU 170 H 0.10 0.38 -0.03 -0.55 8.60 8.51 2rliA6 GLU 170 HA 0.07 0.08 0.59 -0.75 4.29 4.28 2rliA6 GLU 170 HB2 0.12 -0.01 0.18 -0.04 2.09 2.34 2rliA6 GLU 170 HB3 0.11 0.06 0.05 -0.04 1.99 2.17 2rliA6 GLU 170 HG2 0.06 0.03 0.04 -0.04 2.34 2.43 2rliA6 GLU 170 HG3 0.07 -0.05 -0.02 -0.04 2.34 2.31 2rliA6 ARG 171 H 0.16 0.14 0.24 -0.55 8.46 8.44 2rliA6 ARG 171 HA 0.07 0.13 0.38 -0.75 4.34 4.15 2rliA6 ARG 171 HB2 0.16 -0.12 0.07 -0.04 1.90 1.97 2rliA6 ARG 171 HB3 0.20 0.25 0.22 -0.04 1.80 2.43 2rliA6 ARG 171 HG2 0.05 -0.05 0.11 -0.04 1.67 1.74 2rliA6 ARG 171 HG3 0.05 -0.04 0.09 -0.04 1.67 1.73 2rliA6 ARG 171 HD2 0.13 -0.07 0.04 -0.04 3.22 3.29 2rliA6 ARG 171 HD3 0.22 0.19 0.15 -0.04 3.22 3.73 2rliA6 ASP 172 H 0.11 0.03 0.03 -0.55 8.40 8.01 2rliA6 ASP 172 HA -0.01 0.07 0.65 -0.75 4.63 4.58 2rliA6 ASP 172 HB2 0.05 -0.06 -0.05 -0.04 2.71 2.62 2rliA6 ASP 172 HB3 0.15 -0.05 -0.11 -0.04 2.70 2.66 2rliA6 ASP 173 H -0.00 0.14 0.10 -0.55 8.40 8.09 2rliA6 ASP 173 HA 0.03 0.14 0.19 -0.75 4.63 4.25 2rliA6 ASP 173 HB2 0.02 0.25 -0.29 -0.04 2.71 2.64 2rliA6 ASP 173 HB3 0.01 -0.17 -0.03 -0.04 2.70 2.47 2rliA6 VAL 174 H 0.03 0.25 0.10 -0.55 8.24 8.06 2rliA6 VAL 174 HA 0.04 0.09 0.27 -0.75 4.13 3.77 2rliA6 VAL 174 HB 0.02 -0.03 0.13 -0.04 2.12 2.21 2rliA6 VAL 174 HG13 0.03 0.04 -0.10 -0.04 0.97 0.90 2rliA6 VAL 174 HG23 0.03 0.02 0.02 -0.04 0.95 0.99 2rliA6 GLU 175 H 0.01 0.11 -0.07 -0.55 8.60 8.10 2rliA6 GLU 175 HA 0.01 0.14 0.41 -0.75 4.29 4.09 2rliA6 GLU 175 HB2 0.00 -0.03 0.03 -0.04 2.09 2.05 2rliA6 GLU 175 HB3 -0.00 0.07 -0.02 -0.04 1.99 1.99 2rliA6 GLU 175 HG2 0.01 0.06 0.01 -0.04 2.34 2.37 2rliA6 GLU 175 HG3 0.01 -0.07 0.03 -0.04 2.34 2.27 2rliA6 ALA 176 H -0.01 0.02 -0.40 -0.55 8.40 7.47 2rliA6 ALA 176 HA -0.03 0.11 0.35 -0.75 4.34 4.02 2rliA6 ALA 176 HB3 -0.05 -0.02 0.06 -0.04 1.41 1.37 2rliA6 MET 177 H -0.03 0.61 0.01 -0.55 8.47 8.52 2rliA6 MET 177 HA -0.09 0.01 0.38 -0.75 4.52 4.07 2rliA6 MET 177 HB2 0.00 0.10 0.06 -0.04 2.15 2.28 2rliA6 MET 177 HB3 -0.06 -0.01 -0.01 -0.04 2.03 1.90 2rliA6 MET 177 HG2 -0.04 -0.08 0.04 -0.04 2.63 2.50 2rliA6 MET 177 HG3 -0.02 0.00 -0.12 -0.04 2.56 2.38 2rliA6 MET 177 HE3 -0.73 0.01 -0.08 -0.04 2.10 1.26 2rliA6 ALA 178 H -0.01 0.39 -0.11 -0.55 8.40 8.13 2rliA6 ALA 178 HA -0.12 0.03 0.36 -0.75 4.34 3.86 2rliA6 ALA 178 HB3 0.02 0.03 0.14 -0.04 1.41 1.56 2rliA6 ARG 179 H -0.02 0.31 -0.40 -0.55 8.46 7.79 2rliA6 ARG 179 HA -0.02 0.08 0.61 -0.75 4.34 4.25 2rliA6 ARG 179 HB2 0.01 0.08 0.20 -0.04 1.90 2.16 2rliA6 ARG 179 HB3 0.01 -0.04 0.03 -0.04 1.80 1.76 2rliA6 ARG 179 HG2 -0.01 -0.03 0.02 -0.04 1.67 1.62 2rliA6 ARG 179 HG3 -0.01 0.03 0.05 -0.04 1.67 1.70 2rliA6 ARG 179 HD2 -0.00 -0.06 -0.02 -0.04 3.22 3.10 2rliA6 ARG 179 HD3 -0.01 -0.01 -0.07 -0.04 3.22 3.10 2rliA6 TYR 180 H 0.08 0.67 0.09 -0.55 8.29 8.57 2rliA6 TYR 180 HA -0.04 0.01 0.21 -0.75 4.56 3.98 2rliA6 TYR 180 HB2 -0.09 0.05 0.11 -0.04 3.06 3.09 2rliA6 TYR 180 HB3 -0.18 -0.02 0.09 -0.04 2.98 2.83 2rliA6 TYR 180 HD2 -0.17 0.01 -0.07 -0.04 7.15 6.88 2rliA6 TYR 180 HE2 -0.06 -0.01 -0.07 -0.04 6.85 6.67 2rliA6 VAL 181 H -0.10 0.71 -0.14 -0.55 8.24 8.16 2rliA6 VAL 181 HA -0.22 -0.04 0.36 -0.75 4.13 3.47 2rliA6 VAL 181 HB -0.34 0.12 0.01 -0.04 2.12 1.86 2rliA6 VAL 181 HG13 -0.42 0.01 -0.23 -0.04 0.97 0.28 2rliA6 VAL 181 HG23 -0.31 -0.08 -0.21 -0.04 0.95 0.31 2rliA6 GLN 182 H -0.12 0.35 -0.31 -0.55 8.47 7.85 2rliA6 GLN 182 HA -0.12 -0.00 0.31 -0.75 4.36 3.79 2rliA6 GLN 182 HB2 -0.07 0.14 0.14 -0.04 2.15 2.32 2rliA6 GLN 182 HB3 -0.07 -0.05 0.00 -0.04 2.02 1.86 2rliA6 GLN 182 HG2 -0.10 -0.05 0.02 -0.04 2.40 2.23 2rliA6 GLN 182 HG3 -0.12 0.06 0.06 -0.04 2.39 2.35 2rliA6 GLN 182 HE21 -0.05 0.56 0.10 -0.04 6.97 7.54 2rliA6 GLN 182 HE22 -0.03 -0.12 -0.02 -0.04 7.69 7.49 2rliA6 ASP 183 H -0.07 0.39 -0.21 -0.55 8.40 7.95 2rliA6 ASP 183 HA -0.08 0.07 0.38 -0.75 4.63 4.26 2rliA6 ASP 183 HB2 -0.02 0.05 -0.01 -0.04 2.71 2.69 2rliA6 ASP 183 HB3 -0.06 -0.01 -0.03 -0.04 2.70 2.56 2rliA6 PHE 184 H -0.04 0.23 -0.41 -0.55 8.34 7.57 2rliA6 PHE 184 HA -0.11 0.09 0.78 -0.75 4.62 4.62 2rliA6 PHE 184 HB2 -0.35 0.11 0.14 -0.04 3.15 3.01 2rliA6 PHE 184 HB3 -0.15 0.01 0.04 -0.04 3.06 2.92 2rliA6 PHE 184 HD2 -0.42 0.05 -0.05 -0.04 7.28 6.82 2rliA6 PHE 184 HE2 -0.06 -0.05 -0.10 -0.04 7.38 7.13 2rliA6 PHE 184 HZ -0.02 -0.02 0.03 -0.04 7.32 7.27 2rliA6 HIS 185 H 0.06 0.42 0.12 -0.55 8.41 8.47 2rliA6 HIS 185 HA -0.02 0.16 0.40 -0.75 4.63 4.42 2rliA6 HIS 185 HB2 0.02 0.22 0.02 -0.04 3.26 3.48 2rliA6 HIS 185 HB3 0.01 -0.12 -0.01 -0.04 3.20 3.03 2rliA6 HIS 185 HD2 -0.01 0.08 0.10 -0.04 6.97 7.09 2rliA6 HIS 185 HE1 0.00 0.04 -0.02 -0.04 7.75 7.72 2rliA6 PRO 186 HA -0.14 0.08 0.20 -0.51 4.44 4.07 2rliA6 PRO 186 HB2 -0.11 0.03 0.07 -0.04 2.28 2.24 2rliA6 PRO 186 HB3 -0.14 0.00 0.10 -0.04 2.02 1.95 2rliA6 PRO 186 HG2 -0.49 0.03 0.04 -0.04 2.03 1.57 2rliA6 PRO 186 HG3 -0.25 0.03 0.08 -0.04 2.03 1.85 2rliA6 PRO 186 HD2 -1.16 0.11 0.22 -0.04 3.68 2.82 2rliA6 PRO 186 HD3 -0.31 0.19 0.19 -0.04 3.65 3.68 2rliA6 ARG 187 H 0.22 0.02 -0.52 -0.55 8.46 7.62 2rliA6 ARG 187 HA 0.11 0.07 0.63 -0.75 4.34 4.40 2rliA6 ARG 187 HB2 0.26 -0.01 0.07 -0.04 1.90 2.18 2rliA6 ARG 187 HB3 0.32 -0.03 0.01 -0.04 1.80 2.05 2rliA6 ARG 187 HG2 0.06 -0.03 -0.16 -0.04 1.67 1.49 2rliA6 ARG 187 HG3 0.08 0.02 0.12 -0.04 1.67 1.84 2rliA6 ARG 187 HD2 -0.02 -0.04 -0.00 -0.04 3.22 3.11 2rliA6 ARG 187 HD3 0.01 0.05 0.05 -0.04 3.22 3.30 2rliA6 LEU 188 H 0.03 0.53 0.02 -0.55 8.37 8.41 2rliA6 LEU 188 HA -0.01 0.05 0.53 -0.75 4.35 4.16 2rliA6 LEU 188 HB2 -0.10 0.26 0.19 -0.04 1.64 1.94 2rliA6 LEU 188 HB3 -0.15 -0.13 -0.03 -0.04 1.64 1.29 2rliA6 LEU 188 HG -0.24 -0.03 0.05 -0.04 1.64 1.38 2rliA6 LEU 188 HD13 -0.23 -0.02 -0.04 -0.04 0.93 0.60 2rliA6 LEU 188 HD23 -0.04 0.03 0.00 -0.04 0.89 0.84 2rliA6 LEU 189 H 0.01 0.17 0.14 -0.55 8.37 8.15 2rliA6 LEU 189 HA 0.32 0.09 0.78 -0.75 4.35 4.79 2rliA6 LEU 189 HB2 0.16 0.26 -0.09 -0.04 1.64 1.94 2rliA6 LEU 189 HB3 0.15 -0.12 0.06 -0.04 1.64 1.69 2rliA6 LEU 189 HG 0.18 0.10 0.02 -0.04 1.64 1.90 2rliA6 LEU 189 HD13 0.27 0.01 -0.09 -0.04 0.93 1.07 2rliA6 LEU 189 HD23 0.15 -0.09 -0.07 -0.04 0.89 0.84 2rliA6 GLY 190 H 0.46 0.16 0.14 -0.55 8.43 8.65 2rliA6 GLY 190 HA2 0.14 0.18 0.88 -0.51 4.01 4.70 2rliA6 GLY 190 HA3 0.07 -0.06 0.28 -0.51 4.01 3.80 2rliA6 LEU 191 H 0.17 0.72 0.28 -0.55 8.37 9.00 2rliA6 LEU 191 HA 0.09 0.37 0.87 -0.75 4.35 4.93 2rliA6 LEU 191 HB2 -0.01 0.03 0.13 -0.04 1.64 1.75 2rliA6 LEU 191 HB3 0.02 -0.03 -0.06 -0.04 1.64 1.53 2rliA6 LEU 191 HG 0.10 -0.05 -0.37 -0.04 1.64 1.28 2rliA6 LEU 191 HD13 -0.04 0.01 -0.20 -0.04 0.93 0.66 2rliA6 LEU 191 HD23 0.19 0.02 -0.21 -0.04 0.89 0.85 2rliA6 THR 192 H 0.08 0.63 0.25 -0.55 8.28 8.69 2rliA6 THR 192 HA 0.06 0.14 0.64 -0.75 4.39 4.47 2rliA6 THR 192 HB 0.12 0.04 -0.39 -0.04 4.32 4.05 2rliA6 THR 192 HG23 0.07 0.01 -0.25 -0.04 1.22 1.01 2rliA6 GLY 193 H 0.05 0.24 0.16 -0.55 8.43 8.34 2rliA6 GLY 193 HA2 0.05 0.05 0.32 -0.51 4.01 3.92 2rliA6 GLY 193 HA3 0.05 0.13 0.61 -0.51 4.01 4.29 2rliA6 SER 194 H 0.04 0.15 0.17 -0.55 8.46 8.27 2rliA6 SER 194 HA 0.04 0.19 0.75 -0.75 4.49 4.71 2rliA6 SER 194 HB2 0.03 -0.02 0.13 -0.04 3.95 4.05 2rliA6 SER 194 HB3 0.03 0.09 0.13 -0.04 3.93 4.15 2rliA6 THR 195 H 0.04 0.22 0.19 -0.55 8.28 8.17 2rliA6 THR 195 HA 0.03 0.09 0.20 -0.75 4.39 3.96 2rliA6 THR 195 HB 0.04 -0.01 0.17 -0.04 4.32 4.48 2rliA6 THR 195 HG23 0.05 0.03 -0.01 -0.04 1.22 1.25 2rliA6 LYS 196 H 0.04 0.10 -0.04 -0.55 8.42 7.96 2rliA6 LYS 196 HA 0.06 0.12 0.32 -0.75 4.32 4.06 2rliA6 LYS 196 HB2 0.04 -0.03 0.10 -0.04 1.87 1.93 2rliA6 LYS 196 HB3 0.04 0.02 -0.03 -0.04 1.79 1.78 2rliA6 LYS 196 HG2 0.05 0.05 0.08 -0.04 1.46 1.59 2rliA6 LYS 196 HG3 0.05 0.01 0.05 -0.04 1.46 1.53 2rliA6 LYS 196 HD2 0.03 -0.02 0.01 -0.04 1.69 1.67 2rliA6 LYS 196 HD3 0.03 0.01 -0.01 -0.04 1.68 1.67 2rliA6 LYS 196 HE2 0.03 0.01 0.00 -0.04 2.99 2.99 2rliA6 LYS 196 HE3 0.04 0.02 0.01 -0.04 2.99 3.02 2rliA6 GLN 197 H 0.05 0.13 -0.44 -0.55 8.47 7.65 2rliA6 GLN 197 HA 0.07 0.15 0.80 -0.75 4.36 4.62 2rliA6 GLN 197 HB2 0.05 0.01 0.15 -0.04 2.15 2.32 2rliA6 GLN 197 HB3 0.07 0.08 0.04 -0.04 2.02 2.17 2rliA6 GLN 197 HG2 0.05 0.00 0.02 -0.04 2.40 2.43 2rliA6 GLN 197 HG3 0.05 0.07 0.01 -0.04 2.39 2.49 2rliA6 GLN 197 HE21 0.03 0.07 -0.03 -0.04 6.97 6.99 2rliA6 GLN 197 HE22 0.03 -0.02 -0.04 -0.04 7.69 7.62 2rliA6 VAL 198 H 0.04 0.51 0.00 -0.55 8.24 8.25 2rliA6 VAL 198 HA 0.03 0.04 0.11 -0.75 4.13 3.56 2rliA6 VAL 198 HB -0.01 0.12 -0.02 -0.04 2.12 2.18 2rliA6 VAL 198 HG13 0.04 -0.01 -0.25 -0.04 0.97 0.71 2rliA6 VAL 198 HG23 -0.00 0.00 -0.24 -0.04 0.95 0.67 2rliA6 ALA 199 H 0.02 0.54 -0.19 -0.55 8.40 8.22 2rliA6 ALA 199 HA -0.11 0.05 0.43 -0.75 4.34 3.96 2rliA6 ALA 199 HB3 -0.02 0.01 0.05 -0.04 1.41 1.42 2rliA6 GLN 200 H 0.07 0.50 -0.28 -0.55 8.47 8.20 2rliA6 GLN 200 HA 0.23 0.04 0.40 -0.75 4.36 4.27 2rliA6 GLN 200 HB2 0.12 0.13 0.17 -0.04 2.15 2.53 2rliA6 GLN 200 HB3 0.14 -0.02 0.06 -0.04 2.02 2.15 2rliA6 GLN 200 HG2 0.12 0.02 0.08 -0.04 2.40 2.59 2rliA6 GLN 200 HG3 0.10 0.02 0.12 -0.04 2.39 2.59 2rliA6 GLN 200 HE21 0.08 0.03 0.05 -0.04 6.97 7.09 2rliA6 GLN 200 HE22 0.07 -0.02 0.02 -0.04 7.69 7.72 2rliA6 ALA 201 H 0.08 0.24 -0.12 -0.55 8.40 8.06 2rliA6 ALA 201 HA 0.15 0.04 0.53 -0.75 4.34 4.30 2rliA6 ALA 201 HB3 0.05 0.04 0.05 -0.04 1.41 1.51 2rliA6 SER 202 H -0.00 0.48 -0.08 -0.55 8.46 8.31 2rliA6 SER 202 HA 0.02 -0.02 0.34 -0.75 4.49 4.07 2rliA6 SER 202 HB2 -0.13 0.11 0.17 -0.04 3.95 4.06 2rliA6 SER 202 HB3 -0.09 -0.04 0.10 -0.04 3.93 3.85 2rliA6 HIS 203 H 0.01 0.57 -0.14 -0.55 8.41 8.30 2rliA6 HIS 203 HA 0.06 0.04 0.60 -0.75 4.63 4.58 2rliA6 HIS 203 HB2 0.06 0.11 0.18 -0.04 3.26 3.56 2rliA6 HIS 203 HB3 0.04 -0.03 0.03 -0.04 3.20 3.19 2rliA6 HIS 203 HD2 0.02 0.02 0.00 -0.04 6.97 6.97 2rliA6 HIS 203 HE1 0.04 -0.06 -0.05 -0.04 7.75 7.64 2rliA6 SER 204 H 0.16 0.43 -0.14 -0.55 8.46 8.36 2rliA6 SER 204 HA 0.04 0.04 0.49 -0.75 4.49 4.30 2rliA6 SER 204 HB2 0.09 0.02 0.13 -0.04 3.95 4.15 2rliA6 SER 204 HB3 0.07 0.03 0.15 -0.04 3.93 4.15 2rliA6 TYR 205 H 0.20 0.45 -0.16 -0.55 8.29 8.22 2rliA6 TYR 205 HA 0.05 0.15 0.74 -0.75 4.56 4.75 2rliA6 TYR 205 HB2 -0.04 0.03 0.02 -0.04 3.06 3.03 2rliA6 TYR 205 HB3 -0.14 -0.04 0.03 -0.04 2.98 2.78 2rliA6 TYR 205 HD2 0.14 0.07 -0.06 -0.04 7.15 7.26 2rliA6 TYR 205 HE2 0.09 -0.04 -0.09 -0.04 6.85 6.77 2rliA6 ARG 206 H 0.11 0.12 -0.57 -0.55 8.46 7.56 2rliA6 ARG 206 HA 0.10 0.10 0.32 -0.75 4.34 4.11 2rliA6 ARG 206 HB2 0.02 0.00 -0.47 -0.04 1.90 1.41 2rliA6 ARG 206 HB3 0.05 0.03 0.07 -0.04 1.80 1.90 2rliA6 ARG 206 HG2 0.04 -0.05 0.00 -0.04 1.67 1.62 2rliA6 ARG 206 HG3 0.11 -0.05 0.08 -0.04 1.67 1.78 2rliA6 ARG 206 HD2 0.06 0.09 0.08 -0.04 3.22 3.40 2rliA6 ARG 206 HD3 0.02 0.03 -0.01 -0.04 3.22 3.23 2rliA6 VAL 207 H 0.09 0.55 0.04 -0.55 8.24 8.37 2rliA6 VAL 207 HA 0.05 0.07 0.12 -0.75 4.13 3.62 2rliA6 VAL 207 HB 0.10 -0.04 0.08 -0.04 2.12 2.22 2rliA6 VAL 207 HG13 -0.04 -0.03 -0.20 -0.04 0.97 0.66 2rliA6 VAL 207 HG23 -0.34 0.02 -0.12 -0.04 0.95 0.47 2rliA6 TYR 208 H 0.23 0.21 0.12 -0.55 8.29 8.30 2rliA6 TYR 208 HA -0.06 0.15 0.65 -0.75 4.56 4.54 2rliA6 TYR 208 HB2 -0.04 0.04 0.22 -0.04 3.06 3.24 2rliA6 TYR 208 HB3 -0.05 -0.05 0.21 -0.04 2.98 3.05 2rliA6 TYR 208 HD2 -0.04 0.07 0.02 -0.04 7.15 7.17 2rliA6 TYR 208 HE2 -0.03 0.00 0.01 -0.04 6.85 6.79 2rliA6 TYR 209 H 0.13 0.35 -0.39 -0.55 8.29 7.82 2rliA6 TYR 209 HA -0.02 0.07 0.62 -0.75 4.56 4.47 2rliA6 TYR 209 HB2 -0.04 -0.07 -0.06 -0.04 3.06 2.85 2rliA6 TYR 209 HB3 -0.04 -0.03 -0.06 -0.04 2.98 2.81 2rliA6 TYR 209 HD2 -0.05 -0.01 -0.16 -0.04 7.15 6.88 2rliA6 TYR 209 HE2 -0.09 -0.03 -0.02 -0.04 6.85 6.67 2rliA6 ASN 210 H 0.01 0.23 0.21 -0.55 8.53 8.43 2rliA6 ASN 210 HA -0.09 0.09 0.54 -0.75 4.76 4.55 2rliA6 ASN 210 HB2 -0.10 0.15 -0.35 -0.04 2.88 2.53 2rliA6 ASN 210 HB3 -0.04 -0.02 -0.12 -0.04 2.79 2.57 2rliA6 ASN 210 HD21 -0.03 -0.00 -0.12 -0.04 7.03 6.83 2rliA6 ASN 210 HD22 -0.03 0.04 -0.09 -0.04 7.74 7.61 2rliA6 ALA 211 H -0.03 0.24 0.04 -0.55 8.40 8.10 2rliA6 ALA 211 HA -0.14 -0.02 0.65 -0.75 4.34 4.07 2rliA6 ALA 211 HB3 0.02 0.01 0.10 -0.04 1.41 1.50 2rliA6 GLY 212 H -0.11 0.16 0.07 -0.55 8.43 8.00 2rliA6 GLY 212 HA2 -0.00 0.08 0.29 -0.51 4.01 3.86 2rliA6 GLY 212 HA3 0.24 0.14 0.59 -0.51 4.01 4.46 2rliA6 PRO 213 HA 0.00 0.13 0.49 -0.51 4.44 4.55 2rliA6 PRO 213 HB2 -0.01 0.02 0.15 -0.04 2.28 2.41 2rliA6 PRO 213 HB3 -0.01 0.03 0.07 -0.04 2.02 2.06 2rliA6 PRO 213 HG2 -0.02 0.04 0.10 -0.04 2.03 2.11 2rliA6 PRO 213 HG3 -0.03 0.01 0.08 -0.04 2.03 2.05 2rliA6 PRO 213 HD2 -0.04 0.14 0.09 -0.04 3.68 3.84 2rliA6 PRO 213 HD3 -0.06 0.02 0.14 -0.04 3.65 3.72 2rliA6 LYS 214 H 0.03 0.58 0.07 -0.55 8.42 8.54 2rliA6 LYS 214 HA 0.01 0.00 0.68 -0.75 4.32 4.26 2rliA6 LYS 214 HB2 0.03 -0.13 -0.21 -0.04 1.87 1.52 2rliA6 LYS 214 HB3 0.04 0.06 -0.28 -0.04 1.79 1.57 2rliA6 LYS 214 HG2 0.13 0.02 -0.15 -0.04 1.46 1.42 2rliA6 LYS 214 HG3 0.06 0.10 -0.12 -0.04 1.46 1.46 2rliA6 LYS 214 HD2 0.04 0.06 -0.14 -0.04 1.69 1.61 2rliA6 LYS 214 HD3 0.04 -0.06 -0.10 -0.04 1.68 1.51 2rliA6 LYS 214 HE2 0.01 -0.01 -0.43 -0.04 2.99 2.52 2rliA6 LYS 214 HE3 0.01 -0.28 -1.13 -0.04 2.99 1.55 2rliA6 ASP 215 H 0.01 -0.00 0.04 -0.55 8.40 7.90 2rliA6 ASP 215 HA 0.00 0.23 0.81 -0.75 4.63 4.92 2rliA6 ASP 215 HB2 0.00 0.03 0.03 -0.04 2.71 2.73 2rliA6 ASP 215 HB3 0.00 -0.14 0.17 -0.04 2.70 2.69 2rliA6 GLU 216 H 0.00 -0.01 0.10 -0.55 8.60 8.15 2rliA6 GLU 216 HA -0.00 0.18 0.55 -0.75 4.29 4.25 2rliA6 GLU 216 HB2 0.00 -0.12 0.17 -0.04 2.09 2.11 2rliA6 GLU 216 HB3 -0.00 0.05 0.00 -0.04 1.99 2.00 2rliA6 GLU 216 HG2 -0.00 0.07 -0.00 -0.04 2.34 2.37 2rliA6 GLU 216 HG3 -0.00 -0.04 0.00 -0.04 2.34 2.26 2rliA6 ASP 217 H 0.01 -0.04 -0.03 -0.55 8.40 7.79 2rliA6 ASP 217 HA 0.01 0.22 0.61 -0.75 4.63 4.72 2rliA6 ASP 217 HB2 0.00 0.14 -0.22 -0.04 2.71 2.60 2rliA6 ASP 217 HB3 0.01 -0.09 0.05 -0.04 2.70 2.63 2rliA6 GLN 218 H 0.02 0.14 0.07 -0.55 8.47 8.14 2rliA6 GLN 218 HA 0.01 0.01 0.40 -0.75 4.36 4.04 2rliA6 GLN 218 HB2 0.01 -0.18 -0.15 -0.04 2.15 1.79 2rliA6 GLN 218 HB3 0.02 0.24 0.10 -0.04 2.02 2.34 2rliA6 GLN 218 HG2 0.01 0.08 0.02 -0.04 2.40 2.47 2rliA6 GLN 218 HG3 0.01 0.03 -0.09 -0.04 2.39 2.30 2rliA6 GLN 218 HE21 0.01 -0.06 0.03 -0.04 6.97 6.90 2rliA6 GLN 218 HE22 0.00 0.01 0.04 -0.04 7.69 7.70 2rliA6 ASP 219 H 0.05 0.77 0.10 -0.55 8.40 8.77 2rliA6 ASP 219 HA 0.04 -0.00 0.41 -0.75 4.63 4.33 2rliA6 ASP 219 HB2 0.01 0.13 -0.04 -0.04 2.71 2.77 2rliA6 ASP 219 HB3 0.01 -0.00 -0.13 -0.04 2.70 2.53 2rliA6 TYR 220 H 0.07 0.23 0.17 -0.55 8.29 8.21 2rliA6 TYR 220 HA -0.02 0.15 0.32 -0.75 4.56 4.26 2rliA6 TYR 220 HB2 -0.00 0.11 -0.09 -0.04 3.06 3.04 2rliA6 TYR 220 HB3 0.01 -0.01 -0.01 -0.04 2.98 2.93 2rliA6 TYR 220 HD2 0.00 0.10 0.02 -0.04 7.15 7.23 2rliA6 TYR 220 HE2 -0.00 0.11 -0.13 -0.04 6.85 6.79 2rliA6 ILE 221 H -1.86 0.10 0.03 -0.55 8.25 5.96 2rliA6 ILE 221 HA -0.46 0.00 0.37 -0.75 4.18 3.34 2rliA6 ILE 221 HB -0.14 0.10 0.32 -0.04 1.89 2.13 2rliA6 ILE 221 HG12 0.00 0.04 -0.24 -0.04 1.49 1.25 2rliA6 ILE 221 HG13 -0.07 -0.01 -0.02 -0.04 1.21 1.07 2rliA6 ILE 221 HG23 -0.06 -0.01 0.02 -0.04 0.93 0.85 2rliA6 ILE 221 HD13 0.14 0.00 -0.02 -0.04 0.88 0.96 2rliA6 VAL 222 H -0.33 0.17 0.12 -0.55 8.24 7.65 2rliA6 VAL 222 HA -0.39 0.03 0.40 -0.75 4.13 3.42 2rliA6 VAL 222 HB -1.69 -0.02 0.04 -0.04 2.12 0.41 2rliA6 VAL 222 HG13 -0.48 0.03 -0.22 -0.04 0.97 0.27 2rliA6 VAL 222 HG23 -0.36 -0.00 0.02 -0.04 0.95 0.56 2rliA6 ASP 223 H -0.20 0.26 0.26 -0.55 8.40 8.17 2rliA6 ASP 223 HA -0.20 0.07 0.58 -0.75 4.63 4.33 2rliA6 ASP 223 HB2 -0.08 0.05 0.24 -0.04 2.71 2.88 2rliA6 ASP 223 HB3 -0.08 0.01 0.00 -0.04 2.70 2.59 2rliA6 HIS 224 H -0.31 0.19 0.14 -0.55 8.41 7.89 2rliA6 HIS 224 HA 0.10 0.12 0.43 -0.75 4.63 4.52 2rliA6 HIS 224 HB2 0.09 0.12 0.19 -0.04 3.26 3.62 2rliA6 HIS 224 HB3 0.27 -0.02 0.07 -0.04 3.20 3.48 2rliA6 HIS 224 HD2 0.16 -0.05 0.09 -0.04 6.97 7.12 2rliA6 HIS 224 HE1 0.02 0.01 0.06 -0.04 7.75 7.80 2rliA6 SER 225 H 0.07 0.65 0.16 -0.55 8.46 8.80 2rliA6 SER 225 HA 0.04 0.03 0.21 -0.75 4.49 4.01 2rliA6 SER 225 HB2 0.04 0.08 0.15 -0.04 3.95 4.18 2rliA6 SER 225 HB3 -0.00 0.02 0.15 -0.04 3.93 4.05 2rliA6 ILE 226 H 0.06 0.37 0.36 -0.55 8.25 8.49 2rliA6 ILE 226 HA -0.05 0.11 0.51 -0.75 4.18 3.99 2rliA6 ILE 226 HB -0.15 0.11 -0.26 -0.04 1.89 1.54 2rliA6 ILE 226 HG12 -0.73 -0.02 -0.12 -0.04 1.49 0.58 2rliA6 ILE 226 HG13 -0.09 0.00 -0.20 -0.04 1.21 0.88 2rliA6 ILE 226 HG23 -0.14 -0.02 -0.28 -0.04 0.93 0.46 2rliA6 ILE 226 HD13 -0.12 0.02 0.02 -0.04 0.88 0.75 2rliA6 ALA 227 H 0.05 0.17 0.23 -0.55 8.40 8.31 2rliA6 ALA 227 HA -0.08 -0.03 0.39 -0.75 4.34 3.87 2rliA6 ALA 227 HB3 0.09 0.05 0.09 -0.04 1.41 1.60 2rliA6 ILE 228 H 0.10 0.22 0.28 -0.55 8.25 8.30 2rliA6 ILE 228 HA 0.03 0.34 0.93 -0.75 4.18 4.72 2rliA6 ILE 228 HB -0.06 0.13 0.09 -0.04 1.89 2.02 2rliA6 ILE 228 HG12 0.09 -0.10 0.02 -0.04 1.49 1.46 2rliA6 ILE 228 HG13 0.04 0.03 -0.20 -0.04 1.21 1.04 2rliA6 ILE 228 HG23 -0.58 -0.03 -0.13 -0.04 0.93 0.15 2rliA6 ILE 228 HD13 -0.10 -0.01 -0.07 -0.04 0.88 0.66 2rliA6 TYR 229 H 0.13 0.58 0.35 -0.55 8.29 8.79 2rliA6 TYR 229 HA 0.12 0.17 0.96 -0.75 4.56 5.05 2rliA6 TYR 229 HB2 0.18 0.03 -0.40 -0.04 3.06 2.82 2rliA6 TYR 229 HB3 0.14 -0.02 -0.07 -0.04 2.98 2.99 2rliA6 TYR 229 HD2 0.25 -0.03 -0.34 -0.04 7.15 6.98 2rliA6 TYR 229 HE2 0.37 -0.05 -0.12 -0.04 6.85 7.01 2rliA6 LEU 230 H -0.57 0.54 0.32 -0.55 8.37 8.11 2rliA6 LEU 230 HA -0.02 0.24 0.98 -0.75 4.35 4.80 2rliA6 LEU 230 HB2 -0.31 -0.05 0.26 -0.04 1.64 1.49 2rliA6 LEU 230 HB3 -0.34 0.02 0.02 -0.04 1.64 1.30 2rliA6 LEU 230 HG -0.69 -0.01 -0.02 -0.04 1.64 0.89 2rliA6 LEU 230 HD13 -0.42 0.03 -0.08 -0.04 0.93 0.41 2rliA6 LEU 230 HD23 -0.29 -0.01 -0.12 -0.04 0.89 0.43 2rliA6 LEU 231 H 0.23 0.76 0.39 -0.55 8.37 9.21 2rliA6 LEU 231 HA 0.30 0.09 0.92 -0.75 4.35 4.91 2rliA6 LEU 231 HB2 0.29 -0.07 -0.04 -0.04 1.64 1.77 2rliA6 LEU 231 HB3 0.13 -0.00 0.12 -0.04 1.64 1.85 2rliA6 LEU 231 HG -0.04 0.10 -0.01 -0.04 1.64 1.66 2rliA6 LEU 231 HD13 -0.35 -0.01 -0.04 -0.04 0.93 0.50 2rliA6 LEU 231 HD23 0.09 -0.02 -0.07 -0.04 0.89 0.85 2rliA6 ASN 232 H 0.12 0.58 0.08 -0.55 8.53 8.76 2rliA6 ASN 232 HA -0.13 0.12 -0.03 -0.75 4.76 3.96 2rliA6 ASN 232 HB2 0.04 -0.17 -0.05 -0.04 2.88 2.66 2rliA6 ASN 232 HB3 -0.00 -0.04 -0.06 -0.04 2.79 2.64 2rliA6 ASN 232 HD21 0.20 -0.04 -0.09 -0.04 7.03 7.05 2rliA6 ASN 232 HD22 0.29 0.18 -0.12 -0.04 7.74 8.05 2rliA6 PRO 233 HA -0.14 0.23 0.52 -0.51 4.44 4.54 2rliA6 PRO 233 HB2 -0.25 0.07 -0.09 -0.04 2.28 1.98 2rliA6 PRO 233 HB3 -0.44 -0.04 -0.12 -0.04 2.02 1.39 2rliA6 PRO 233 HG2 -0.37 0.04 -0.11 -0.04 2.03 1.54 2rliA6 PRO 233 HG3 -1.08 0.07 -0.08 -0.04 2.03 0.90 2rliA6 PRO 233 HD2 -0.96 0.06 0.08 -0.04 3.68 2.81 2rliA6 PRO 233 HD3 -1.63 0.14 -0.03 -0.04 3.65 2.10 2rliA6 ASP 234 H -0.05 -0.07 -0.53 -0.55 8.40 7.20 2rliA6 ASP 234 HA -0.01 0.25 0.67 -0.75 4.63 4.79 2rliA6 ASP 234 HB2 0.01 0.03 0.06 -0.04 2.71 2.77 2rliA6 ASP 234 HB3 0.06 0.07 -0.07 -0.04 2.70 2.73 2rliA6 GLY 235 H -0.02 0.24 -0.19 -0.55 8.43 7.91 2rliA6 GLY 235 HA2 -0.04 0.09 0.29 -0.51 4.01 3.84 2rliA6 GLY 235 HA3 -0.03 0.11 0.65 -0.51 4.01 4.23 2rliA6 LEU 236 H 0.01 -0.03 -0.21 -0.55 8.37 7.60 2rliA6 LEU 236 HA 0.01 0.20 0.69 -0.75 4.35 4.49 2rliA6 LEU 236 HB2 0.11 0.00 0.08 -0.04 1.64 1.80 2rliA6 LEU 236 HB3 0.26 -0.07 0.22 -0.04 1.64 2.01 2rliA6 LEU 236 HG 0.20 0.03 0.01 -0.04 1.64 1.85 2rliA6 LEU 236 HD13 0.05 0.00 -0.21 -0.04 0.93 0.74 2rliA6 LEU 236 HD23 0.08 0.01 0.01 -0.04 0.89 0.95 2rliA6 PHE 237 H 0.40 0.25 0.19 -0.55 8.34 8.63 2rliA6 PHE 237 HA 0.44 0.12 0.81 -0.75 4.62 5.23 2rliA6 PHE 237 HB2 0.22 0.02 0.00 -0.04 3.15 3.35 2rliA6 PHE 237 HB3 0.46 0.03 -0.05 -0.04 3.06 3.45 2rliA6 PHE 237 HD2 0.11 -0.05 -0.05 -0.04 7.28 7.25 2rliA6 PHE 237 HE2 0.10 0.00 -0.03 -0.04 7.38 7.41 2rliA6 PHE 237 HZ -0.07 0.02 -0.03 -0.04 7.32 7.20 2rliA6 THR 238 H 0.39 0.28 0.18 -0.55 8.28 8.58 2rliA6 THR 238 HA 0.20 0.16 0.77 -0.75 4.39 4.76 2rliA6 THR 238 HB 0.02 -0.01 0.07 -0.04 4.32 4.36 2rliA6 THR 238 HG23 0.41 0.00 -0.13 -0.04 1.22 1.46 2rliA6 ASP 239 H -0.25 0.19 0.29 -0.55 8.40 8.08 2rliA6 ASP 239 HA 0.17 0.18 0.84 -0.75 4.63 5.07 2rliA6 ASP 239 HB2 0.13 0.03 -0.26 -0.04 2.71 2.57 2rliA6 ASP 239 HB3 0.15 -0.01 -0.03 -0.04 2.70 2.77 2rliA6 TYR 240 H 0.17 0.18 0.20 -0.55 8.29 8.29 2rliA6 TYR 240 HA 0.15 0.15 0.86 -0.75 4.56 4.96 2rliA6 TYR 240 HB2 0.20 0.10 0.13 -0.04 3.06 3.46 2rliA6 TYR 240 HB3 0.38 -0.01 0.04 -0.04 2.98 3.35 2rliA6 TYR 240 HD2 0.10 0.09 -0.00 -0.04 7.15 7.30 2rliA6 TYR 240 HE2 0.02 -0.00 -0.05 -0.04 6.85 6.78 2rliA6 TYR 241 H 0.25 0.58 0.36 -0.55 8.29 8.93 2rliA6 TYR 241 HA -0.15 0.15 0.75 -0.75 4.56 4.56 2rliA6 TYR 241 HB2 -0.09 0.06 -0.01 -0.04 3.06 2.98 2rliA6 TYR 241 HB3 -0.03 0.00 0.07 -0.04 2.98 2.98 2rliA6 TYR 241 HD2 -0.09 0.07 -0.03 -0.04 7.15 7.06 2rliA6 TYR 241 HE2 -0.06 0.03 -0.09 -0.04 6.85 6.69 2rliA6 GLY 242 H -1.52 0.12 0.11 -0.55 8.43 6.59 2rliA6 GLY 242 HA2 -0.31 -0.02 0.32 -0.51 4.01 3.49 2rliA6 GLY 242 HA3 -0.07 0.15 0.53 -0.51 4.01 4.11 2rliA6 ARG 243 H -0.41 0.08 -0.21 -0.55 8.46 7.37 2rliA6 ARG 243 HA -0.05 0.19 0.69 -0.75 4.34 4.41 2rliA6 ARG 243 HB2 -0.05 0.02 0.12 -0.04 1.90 1.95 2rliA6 ARG 243 HB3 -0.06 0.05 -0.15 -0.04 1.80 1.61 2rliA6 ARG 243 HG2 -0.37 -0.10 -0.08 -0.04 1.67 1.08 2rliA6 ARG 243 HG3 -0.21 0.06 -0.06 -0.04 1.67 1.43 2rliA6 ARG 243 HD2 -0.98 0.10 -0.01 -0.04 3.22 2.29 2rliA6 ARG 243 HD3 -0.33 -0.00 0.01 -0.04 3.22 2.85 2rliA6 SER 244 H -0.19 0.03 -0.37 -0.55 8.46 7.38 2rliA6 SER 244 HA -0.10 -0.06 0.32 -0.75 4.49 3.90 2rliA6 SER 244 HB2 -0.05 -0.01 -0.09 -0.04 3.95 3.76 2rliA6 SER 244 HB3 -0.06 0.19 0.31 -0.04 3.93 4.33 2rliA6 ARG 245 H -0.09 0.22 0.07 -0.55 8.46 8.11 2rliA6 ARG 245 HA -0.03 0.08 0.57 -0.75 4.34 4.21 2rliA6 ARG 245 HB2 -0.29 -0.16 -0.13 -0.04 1.90 1.28 2rliA6 ARG 245 HB3 0.13 0.11 -0.19 -0.04 1.80 1.80 2rliA6 ARG 245 HG2 -0.23 0.03 -0.58 -0.04 1.67 0.86 2rliA6 ARG 245 HG3 -0.10 -0.03 -0.17 -0.04 1.67 1.33 2rliA6 ARG 245 HD2 -0.01 0.05 -0.13 -0.04 3.22 3.08 2rliA6 ARG 245 HD3 -0.05 0.03 0.15 -0.04 3.22 3.30 2rliA6 SER 246 H 0.01 0.15 0.12 -0.55 8.46 8.20 2rliA6 SER 246 HA 0.05 0.23 0.75 -0.75 4.49 4.76 2rliA6 SER 246 HB2 0.01 0.14 0.12 -0.04 3.95 4.19 2rliA6 SER 246 HB3 0.01 0.03 0.14 -0.04 3.93 4.07 2rliA6 ALA 247 H 0.02 0.22 0.13 -0.55 8.40 8.23 2rliA6 ALA 247 HA -0.03 0.11 0.47 -0.75 4.34 4.14 2rliA6 ALA 247 HB3 -0.02 0.06 0.11 -0.04 1.41 1.52 2rliA6 GLU 248 H -0.00 0.04 -0.24 -0.55 8.60 7.85 2rliA6 GLU 248 HA -0.02 0.13 0.37 -0.75 4.29 4.01 2rliA6 GLU 248 HB2 -0.00 -0.08 0.03 -0.04 2.09 2.00 2rliA6 GLU 248 HB3 -0.01 0.10 -0.01 -0.04 1.99 2.02 2rliA6 GLU 248 HG2 -0.01 0.09 0.03 -0.04 2.34 2.41 2rliA6 GLU 248 HG3 -0.01 -0.09 0.06 -0.04 2.34 2.26 2rliA6 GLN 249 H 0.00 0.13 -0.32 -0.55 8.47 7.73 2rliA6 GLN 249 HA -0.02 0.13 0.60 -0.75 4.36 4.32 2rliA6 GLN 249 HB2 0.01 -0.06 0.12 -0.04 2.15 2.17 2rliA6 GLN 249 HB3 -0.02 0.10 0.14 -0.04 2.02 2.20 2rliA6 GLN 249 HG2 -0.01 0.10 0.02 -0.04 2.40 2.46 2rliA6 GLN 249 HG3 -0.01 -0.10 -0.02 -0.04 2.39 2.22 2rliA6 GLN 249 HE21 -0.02 0.06 0.02 -0.04 6.97 6.98 2rliA6 GLN 249 HE22 -0.03 0.04 -0.06 -0.04 7.69 7.61 2rliA6 ILE 250 H -0.02 0.25 -0.48 -0.55 8.25 7.45 2rliA6 ILE 250 HA -0.08 0.13 0.76 -0.75 4.18 4.24 2rliA6 ILE 250 HB -0.09 0.12 0.20 -0.04 1.89 2.08 2rliA6 ILE 250 HG12 -0.01 0.00 -0.06 -0.04 1.49 1.38 2rliA6 ILE 250 HG13 0.07 0.08 -0.12 -0.04 1.21 1.20 2rliA6 ILE 250 HG23 -0.20 0.00 -0.12 -0.04 0.93 0.57 2rliA6 ILE 250 HD13 -0.30 -0.02 -0.10 -0.04 0.88 0.42 2rliA6 SER 251 H -0.06 0.42 0.08 -0.55 8.46 8.35 2rliA6 SER 251 HA -0.10 0.07 0.13 -0.75 4.49 3.84 2rliA6 SER 251 HB2 -0.04 0.02 0.15 -0.04 3.95 4.03 2rliA6 SER 251 HB3 -0.05 0.08 0.04 -0.04 3.93 3.96 2rliA6 ASP 252 H -0.04 0.26 -0.07 -0.55 8.40 8.00 2rliA6 ASP 252 HA -0.02 0.10 0.58 -0.75 4.63 4.54 2rliA6 ASP 252 HB2 -0.02 0.02 0.11 -0.04 2.71 2.78 2rliA6 ASP 252 HB3 -0.02 0.04 0.02 -0.04 2.70 2.70 2rliA6 SER 253 H -0.07 0.22 -0.61 -0.55 8.46 7.46 2rliA6 SER 253 HA -0.02 0.06 0.70 -0.75 4.49 4.47 2rliA6 SER 253 HB2 -0.06 0.12 0.14 -0.04 3.95 4.11 2rliA6 SER 253 HB3 -0.15 0.10 0.17 -0.04 3.93 4.02 2rliA6 VAL 254 H -0.16 0.63 -0.01 -0.55 8.24 8.15 2rliA6 VAL 254 HA -0.33 -0.01 0.40 -0.75 4.13 3.43 2rliA6 VAL 254 HB -0.16 0.14 0.11 -0.04 2.12 2.18 2rliA6 VAL 254 HG13 -0.22 0.00 -0.07 -0.04 0.97 0.63 2rliA6 VAL 254 HG23 -0.35 0.01 -0.05 -0.04 0.95 0.52 2rliA6 ARG 255 H -0.05 0.37 -0.26 -0.55 8.46 7.97 2rliA6 ARG 255 HA 0.03 0.05 0.48 -0.75 4.34 4.14 2rliA6 ARG 255 HB2 -0.00 0.14 0.15 -0.04 1.90 2.14 2rliA6 ARG 255 HB3 0.02 -0.02 0.00 -0.04 1.80 1.76 2rliA6 ARG 255 HG2 0.01 0.00 0.04 -0.04 1.67 1.68 2rliA6 ARG 255 HG3 -0.01 0.07 0.04 -0.04 1.67 1.73 2rliA6 ARG 255 HD2 -0.01 -0.06 -0.02 -0.04 3.22 3.08 2rliA6 ARG 255 HD3 0.00 -0.00 0.02 -0.04 3.22 3.20 2rliA6 ARG 256 H 0.03 0.31 -0.32 -0.55 8.46 7.93 2rliA6 ARG 256 HA 0.06 0.03 0.52 -0.75 4.34 4.19 2rliA6 ARG 256 HB2 0.11 0.11 0.19 -0.04 1.90 2.27 2rliA6 ARG 256 HB3 0.07 -0.03 0.06 -0.04 1.80 1.86 2rliA6 ARG 256 HG2 0.03 0.23 0.16 -0.04 1.67 2.05 2rliA6 ARG 256 HG3 0.03 -0.04 0.06 -0.04 1.67 1.68 2rliA6 ARG 256 HD2 0.03 -0.01 0.02 -0.04 3.22 3.22 2rliA6 ARG 256 HD3 0.03 -0.02 -0.06 -0.04 3.22 3.13 2rliA6 HIS 257 H 0.24 0.54 -0.03 -0.55 8.41 8.62 2rliA6 HIS 257 HA 0.07 0.02 0.41 -0.75 4.63 4.37 2rliA6 HIS 257 HB2 -0.14 0.09 0.16 -0.04 3.26 3.34 2rliA6 HIS 257 HB3 -0.05 -0.02 0.00 -0.04 3.20 3.09 2rliA6 HIS 257 HD2 -0.27 -0.02 -0.01 -0.04 6.97 6.64 2rliA6 HIS 257 HE1 -0.08 -0.00 -0.05 -0.04 7.75 7.57 2rliA6 MET 258 H 0.15 0.54 -0.23 -0.55 8.47 8.37 2rliA6 MET 258 HA 0.25 0.01 0.48 -0.75 4.52 4.50 2rliA6 MET 258 HB2 0.14 -0.00 0.10 -0.04 2.15 2.34 2rliA6 MET 258 HB3 0.09 0.12 0.21 -0.04 2.03 2.41 2rliA6 MET 258 HG2 0.09 0.01 -0.19 -0.04 2.63 2.50 2rliA6 MET 258 HG3 0.10 -0.04 0.01 -0.04 2.56 2.60 2rliA6 MET 258 HE3 0.04 -0.00 -0.03 -0.04 2.10 2.07 2rliA6 ALA 259 H 0.10 0.59 -0.03 -0.55 8.40 8.52 2rliA6 ALA 259 HA 0.09 -0.00 0.44 -0.75 4.34 4.11 2rliA6 ALA 259 HB3 0.06 0.00 0.13 -0.04 1.41 1.56 2rliA6 ALA 260 H 0.12 0.42 -0.36 -0.55 8.40 8.03 2rliA6 ALA 260 HA 0.06 0.03 0.60 -0.75 4.34 4.27 2rliA6 ALA 260 HB3 0.04 0.00 0.08 -0.04 1.41 1.50 2rliA6 PHE 261 H 0.29 0.32 -0.20 -0.55 8.34 8.20 2rliA6 PHE 261 HA 0.07 -0.03 0.34 -0.75 4.62 4.25 2rliA6 PHE 261 HB2 0.20 0.08 0.16 -0.04 3.15 3.55 2rliA6 PHE 261 HB3 0.10 0.11 0.16 -0.04 3.06 3.38 2rliA6 PHE 261 HD2 0.10 0.14 -0.10 -0.04 7.28 7.39 2rliA6 PHE 261 HE2 -0.12 -0.08 -0.07 -0.04 7.38 7.07 2rliA6 PHE 261 HZ -0.17 -0.07 -0.09 -0.04 7.32 6.94 2rliA6 ARG 262 H 0.20 0.22 -0.14 -0.55 8.46 8.19 2rliA6 ARG 262 HA 0.08 0.01 0.29 -0.75 4.34 3.97 2rliA6 ARG 262 HB2 -0.03 0.17 0.17 -0.04 1.90 2.18 2rliA6 ARG 262 HB3 0.02 -0.16 0.12 -0.04 1.80 1.74 2rliA6 ARG 262 HG2 0.01 -0.10 -0.01 -0.04 1.67 1.53 2rliA6 ARG 262 HG3 0.04 0.10 -0.17 -0.04 1.67 1.59 2rliA6 ARG 262 HD2 -0.00 -0.03 -0.06 -0.04 3.22 3.08 2rliA6 ARG 262 HD3 -0.04 0.22 -0.32 -0.04 3.22 3.04 2rliA6 SER 263 H 0.06 0.05 0.11 -0.55 8.46 8.14 2rliA6 SER 263 HA 0.04 0.00 0.28 -0.75 4.49 4.06 2rliA6 SER 263 HB2 0.04 0.02 -0.33 -0.04 3.95 3.65 2rliA6 SER 263 HB3 0.10 0.15 0.06 -0.04 3.93 4.21 2rliA6 VAL 264 H 0.04 0.23 0.07 -0.55 8.24 8.04 2rliA6 VAL 264 HA 0.03 0.04 0.54 -0.75 4.13 3.99 2rliA6 VAL 264 HB 0.02 -0.01 0.09 -0.04 2.12 2.18 2rliA6 VAL 264 HG13 0.02 0.01 -0.10 -0.04 0.97 0.85 2rliA6 VAL 264 HG23 0.03 -0.00 -0.16 -0.04 0.95 0.77 2rliA6 LEU 265 H 0.02 0.05 0.05 -0.55 8.37 7.95 2rliA6 LEU 265 HA 0.01 0.17 0.75 -0.75 4.35 4.53 2rliA6 LEU 265 HB2 0.02 -0.03 0.01 -0.04 1.64 1.59 2rliA6 LEU 265 HB3 0.00 0.06 -0.04 -0.04 1.64 1.62 2rliA6 LEU 265 HG 0.04 -0.10 -0.44 -0.04 1.64 1.10 2rliA6 LEU 265 HD13 0.05 0.02 -0.07 -0.04 0.93 0.89 2rliA6 LEU 265 HD23 0.01 0.03 0.07 -0.04 0.89 0.96 2rliA6 SER 266 H -0.00 0.05 0.06 -0.55 8.46 8.02 2rliA6 SER 266 HA -0.01 0.13 0.16 -0.75 4.49 4.02 2rliA6 SER 266 HB2 -0.03 0.02 0.06 -0.04 3.95 3.96 2rliA6 SER 266 HB3 -0.01 0.01 0.06 -0.04 3.93 3.96