============================================================================= 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 -27.491 -14.017 5.301 -99.200 -91.000 PHE 8 1.000 -9.971 -7.764 1.123 -99.200 -91.000 HIS 9 0.900 -10.643 -13.936 -4.323 -99.200 -91.000 HIS 13 0.900 1.726 -6.436 -10.472 -99.200 -91.000 PHE 23 1.000 -4.138 -8.271 1.176 -99.200 -91.000 TRP 27 1.040 4.275 -5.127 11.531 -99.200 -91.000 TRP6 27 1.020 2.048 -4.440 12.099 -99.200 -91.000 TYR 31 0.840 -1.921 5.409 -1.719 -99.200 -91.000 PHE 32 1.000 -8.083 1.130 0.890 -99.200 -91.000 PHE 34 1.000 -7.002 11.256 -7.141 -99.200 -91.000 HIS 36 0.900 -4.772 11.779 -14.120 -99.200 -91.000 PHE 68 1.000 -2.040 1.913 -6.871 -99.200 -91.000 TYR 84 0.840 1.409 5.209 -9.165 -99.200 -91.000 PHE 88 1.000 6.021 5.692 -6.442 -99.200 -91.000 HIS 89 0.900 11.909 -2.200 -7.411 -99.200 -91.000 HIS 107 0.900 -21.304 -2.018 2.409 -99.200 -91.000 TYR 109 0.840 -10.176 -2.870 3.784 -99.200 -91.000 TYR 112 0.840 -13.130 12.507 2.489 -99.200 -91.000 TYR 113 0.840 -14.647 6.878 -2.738 -99.200 -91.000 TYR 124 0.840 -12.108 20.136 -4.506 -99.200 -91.000 HIS 128 0.900 -6.806 10.897 -2.134 -99.200 -91.000 TYR 133 0.840 -6.447 3.432 6.315 -99.200 -91.000 PHE 141 1.000 -7.294 -3.951 8.678 -99.200 -91.000 TYR 144 0.840 -6.077 6.924 11.940 -99.200 -91.000 TYR 145 0.840 2.201 8.036 11.154 -99.200 -91.000 HIS 161 0.900 2.394 1.252 13.412 -99.200 -91.000 PHE 165 1.000 5.346 -9.070 14.592 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2rliA2 SER 97 H 0.07 0.05 0.01 -0.55 8.46 8.05 2rliA2 SER 97 HA 0.06 -0.08 0.22 -0.75 4.49 3.94 2rliA2 SER 97 HB2 0.06 -0.01 0.00 -0.04 3.95 3.96 2rliA2 SER 97 HB3 0.06 -0.04 -0.03 -0.04 3.93 3.87 2rliA2 PHE 98 H 0.08 0.16 0.08 -0.55 8.34 8.11 2rliA2 PHE 98 HA 0.01 0.02 0.31 -0.75 4.62 4.21 2rliA2 PHE 98 HB2 0.01 0.18 0.39 -0.04 3.15 3.69 2rliA2 PHE 98 HB3 0.01 0.01 -0.13 -0.04 3.06 2.90 2rliA2 PHE 98 HD2 0.01 0.01 -0.08 -0.04 7.28 7.18 2rliA2 PHE 98 HE2 0.01 0.02 -0.07 -0.04 7.38 7.29 2rliA2 PHE 98 HZ 0.01 0.02 -0.04 -0.04 7.32 7.27 2rliA2 THR 99 H -1.10 0.18 0.06 -0.55 8.28 6.87 2rliA2 THR 99 HA -0.28 0.10 0.52 -0.75 4.39 3.97 2rliA2 THR 99 HB -0.58 0.03 0.22 -0.04 4.32 3.94 2rliA2 THR 99 HG23 -0.15 0.01 0.07 -0.04 1.22 1.12 2rliA2 GLY 100 H -0.16 0.54 -0.21 -0.55 8.43 8.06 2rliA2 GLY 100 HA2 0.00 0.14 0.66 -0.51 4.01 4.30 2rliA2 GLY 100 HA3 0.23 0.00 0.19 -0.51 4.01 3.92 2rliA2 GLN 101 H -0.01 0.28 0.03 -0.55 8.47 8.23 2rliA2 GLN 101 HA 0.03 0.09 0.52 -0.75 4.36 4.25 2rliA2 GLN 101 HB2 0.03 0.10 -0.11 -0.04 2.15 2.13 2rliA2 GLN 101 HB3 0.01 -0.04 0.01 -0.04 2.02 1.96 2rliA2 GLN 101 HG2 0.01 -0.03 -0.10 -0.04 2.40 2.24 2rliA2 GLN 101 HG3 0.01 0.02 -0.34 -0.04 2.39 2.04 2rliA2 GLN 101 HE21 0.02 -0.12 0.10 -0.04 6.97 6.93 2rliA2 GLN 101 HE22 0.02 0.02 0.04 -0.04 7.69 7.72 2rliA2 GLY 102 H 0.02 0.18 0.07 -0.55 8.43 8.15 2rliA2 GLY 102 HA2 0.03 0.13 0.66 -0.51 4.01 4.33 2rliA2 GLY 102 HA3 0.02 0.04 0.37 -0.51 4.01 3.94 2rliA2 ASP 103 H 0.06 0.46 0.20 -0.55 8.40 8.57 2rliA2 ASP 103 HA 0.06 0.07 0.37 -0.75 4.63 4.38 2rliA2 ASP 103 HB2 -0.12 -0.12 0.17 -0.04 2.71 2.60 2rliA2 ASP 103 HB3 -0.03 0.14 -0.04 -0.04 2.70 2.72 2rliA2 PHE 104 H -0.28 0.16 0.23 -0.55 8.34 7.90 2rliA2 PHE 104 HA 0.08 0.17 0.72 -0.75 4.62 4.84 2rliA2 PHE 104 HB2 0.13 0.02 0.02 -0.04 3.15 3.27 2rliA2 PHE 104 HB3 0.13 0.09 -0.17 -0.04 3.06 3.07 2rliA2 PHE 104 HD2 0.14 0.02 -0.28 -0.04 7.28 7.13 2rliA2 PHE 104 HE2 0.22 0.05 -0.15 -0.04 7.38 7.45 2rliA2 PHE 104 HZ -0.18 0.05 -0.13 -0.04 7.32 7.02 2rliA2 HIS 105 H 0.31 0.25 0.17 -0.55 8.41 8.60 2rliA2 HIS 105 HA 0.04 0.19 0.88 -0.75 4.63 4.98 2rliA2 HIS 105 HB2 0.04 -0.05 -0.10 -0.04 3.26 3.11 2rliA2 HIS 105 HB3 0.05 0.00 -0.03 -0.04 3.20 3.17 2rliA2 HIS 105 HD2 0.01 0.19 -0.25 -0.04 6.97 6.88 2rliA2 HIS 105 HE1 -0.02 -0.00 -0.02 -0.04 7.75 7.66 2rliA2 LEU 106 H 0.33 0.72 0.26 -0.55 8.37 9.13 2rliA2 LEU 106 HA 0.12 0.12 0.65 -0.75 4.35 4.49 2rliA2 LEU 106 HB2 0.23 0.09 -0.04 -0.04 1.64 1.88 2rliA2 LEU 106 HB3 0.09 -0.11 0.04 -0.04 1.64 1.62 2rliA2 LEU 106 HG 0.36 -0.04 -0.49 -0.04 1.64 1.44 2rliA2 LEU 106 HD13 0.14 0.00 -0.17 -0.04 0.93 0.86 2rliA2 LEU 106 HD23 0.05 0.00 -0.10 -0.04 0.89 0.80 2rliA2 LEU 107 H 0.03 0.21 0.25 -0.55 8.37 8.32 2rliA2 LEU 107 HA 0.03 0.12 0.66 -0.75 4.35 4.40 2rliA2 LEU 107 HB2 0.00 0.02 -0.12 -0.04 1.64 1.50 2rliA2 LEU 107 HB3 -0.00 0.07 -0.12 -0.04 1.64 1.55 2rliA2 LEU 107 HG -0.01 -0.12 0.00 -0.04 1.64 1.47 2rliA2 LEU 107 HD13 -0.00 0.04 -0.07 -0.04 0.93 0.86 2rliA2 LEU 107 HD23 -0.01 -0.01 -0.08 -0.04 0.89 0.75 2rliA2 ASP 108 H -0.01 0.45 0.25 -0.55 8.40 8.55 2rliA2 ASP 108 HA -0.16 0.32 0.92 -0.75 4.63 4.97 2rliA2 ASP 108 HB2 -0.17 0.03 0.16 -0.04 2.71 2.69 2rliA2 ASP 108 HB3 -0.09 0.09 0.07 -0.04 2.70 2.73 2rliA2 HIS 109 H -0.41 0.39 0.26 -0.55 8.41 8.10 2rliA2 HIS 109 HA 0.01 -0.00 0.47 -0.75 4.63 4.35 2rliA2 HIS 109 HB2 0.02 0.04 0.10 -0.04 3.26 3.39 2rliA2 HIS 109 HB3 0.03 -0.02 0.17 -0.04 3.20 3.34 2rliA2 HIS 109 HD2 0.07 -0.03 -0.01 -0.04 6.97 6.95 2rliA2 HIS 109 HE1 0.02 0.06 0.02 -0.04 7.75 7.81 2rliA2 ARG 110 H 0.30 -0.04 -0.48 -0.55 8.46 7.69 2rliA2 ARG 110 HA 0.05 0.19 0.65 -0.75 4.34 4.48 2rliA2 ARG 110 HB2 0.12 -0.07 0.04 -0.04 1.90 1.95 2rliA2 ARG 110 HB3 0.04 0.06 0.08 -0.04 1.80 1.94 2rliA2 ARG 110 HG2 0.01 -0.08 -0.12 -0.04 1.67 1.44 2rliA2 ARG 110 HG3 0.06 0.05 -0.01 -0.04 1.67 1.74 2rliA2 ARG 110 HD2 -0.03 0.02 0.01 -0.04 3.22 3.18 2rliA2 ARG 110 HD3 -0.10 0.04 -0.03 -0.04 3.22 3.09 2rliA2 GLY 111 H 0.06 0.31 -0.13 -0.55 8.43 8.13 2rliA2 GLY 111 HA2 0.02 0.03 0.25 -0.51 4.01 3.79 2rliA2 GLY 111 HA3 0.02 0.17 0.58 -0.51 4.01 4.27 2rliA2 ARG 112 H 0.03 -0.03 -0.01 -0.55 8.46 7.89 2rliA2 ARG 112 HA 0.00 0.17 0.70 -0.75 4.34 4.46 2rliA2 ARG 112 HB2 0.01 -0.07 0.05 -0.04 1.90 1.85 2rliA2 ARG 112 HB3 0.00 0.07 -0.06 -0.04 1.80 1.78 2rliA2 ARG 112 HG2 0.01 0.07 -0.09 -0.04 1.67 1.61 2rliA2 ARG 112 HG3 0.02 -0.02 -0.13 -0.04 1.67 1.50 2rliA2 ARG 112 HD2 0.00 -0.01 -0.05 -0.04 3.22 3.13 2rliA2 ARG 112 HD3 -0.00 0.03 -0.04 -0.04 3.22 3.16 2rliA2 ALA 113 H 0.01 0.20 0.16 -0.55 8.40 8.22 2rliA2 ALA 113 HA 0.03 0.13 0.64 -0.75 4.34 4.40 2rliA2 ALA 113 HB3 -0.13 0.01 0.13 -0.04 1.41 1.38 2rliA2 ARG 114 H 0.07 0.19 0.22 -0.55 8.46 8.39 2rliA2 ARG 114 HA -0.07 0.05 0.56 -0.75 4.34 4.13 2rliA2 ARG 114 HB2 -0.02 -0.08 -0.03 -0.04 1.90 1.72 2rliA2 ARG 114 HB3 -0.18 0.03 -0.11 -0.04 1.80 1.50 2rliA2 ARG 114 HG2 -0.19 0.01 -0.10 -0.04 1.67 1.35 2rliA2 ARG 114 HG3 -0.26 0.03 -0.05 -0.04 1.67 1.34 2rliA2 ARG 114 HD2 -0.04 -0.07 -0.45 -0.04 3.22 2.62 2rliA2 ARG 114 HD3 -0.05 -0.05 -0.09 -0.04 3.22 2.98 2rliA2 CYS 115 H -0.20 0.13 0.24 -0.55 8.50 8.12 2rliA2 CYS 115 HA -0.44 0.29 0.90 -0.75 4.58 4.58 2rliA2 CYS 115 HB2 -0.98 0.09 0.03 -0.04 2.97 2.07 2rliA2 CYS 115 HB3 -0.32 -0.05 0.12 -0.04 2.97 2.67 2rliA2 LYS 116 H -0.61 0.31 0.25 -0.55 8.42 7.81 2rliA2 LYS 116 HA -0.07 0.07 0.29 -0.75 4.32 3.85 2rliA2 LYS 116 HB2 -0.05 0.10 0.12 -0.04 1.87 1.99 2rliA2 LYS 116 HB3 -0.65 -0.08 0.20 -0.04 1.79 1.21 2rliA2 LYS 116 HG2 -0.21 -0.08 0.14 -0.04 1.46 1.27 2rliA2 LYS 116 HG3 -0.10 0.06 -0.15 -0.04 1.46 1.24 2rliA2 LYS 116 HD2 -0.01 0.05 0.05 -0.04 1.69 1.73 2rliA2 LYS 116 HD3 -0.03 0.01 0.21 -0.04 1.68 1.82 2rliA2 LYS 116 HE2 -0.05 -0.09 0.04 -0.04 2.99 2.84 2rliA2 LYS 116 HE3 -0.04 -0.02 0.00 -0.04 2.99 2.89 2rliA2 ALA 117 H -0.14 0.00 -0.44 -0.55 8.40 7.28 2rliA2 ALA 117 HA -0.02 0.17 0.51 -0.75 4.34 4.24 2rliA2 ALA 117 HB3 -0.07 0.02 0.03 -0.04 1.41 1.34 2rliA2 ASP 118 H -0.16 0.46 -0.13 -0.55 8.40 8.02 2rliA2 ASP 118 HA -0.14 0.11 0.20 -0.75 4.63 4.04 2rliA2 ASP 118 HB2 -0.56 0.08 0.07 -0.04 2.71 2.26 2rliA2 ASP 118 HB3 -0.36 0.04 -0.05 -0.04 2.70 2.29 2rliA2 PHE 119 H -0.07 0.14 -0.39 -0.55 8.34 7.46 2rliA2 PHE 119 HA 0.01 0.05 0.34 -0.75 4.62 4.27 2rliA2 PHE 119 HB2 0.01 0.18 -0.05 -0.04 3.15 3.25 2rliA2 PHE 119 HB3 0.04 -0.00 -0.01 -0.04 3.06 3.04 2rliA2 PHE 119 HD2 0.04 0.07 -0.08 -0.04 7.28 7.27 2rliA2 PHE 119 HE2 0.09 -0.04 -0.29 -0.04 7.38 7.09 2rliA2 PHE 119 HZ 0.19 -0.05 -0.20 -0.04 7.32 7.21 2rliA2 ARG 120 H 0.04 0.33 -0.54 -0.55 8.46 7.73 2rliA2 ARG 120 HA -0.02 0.10 0.42 -0.75 4.34 4.08 2rliA2 ARG 120 HB2 -0.01 -0.05 0.01 -0.04 1.90 1.82 2rliA2 ARG 120 HB3 -0.02 0.07 0.15 -0.04 1.80 1.96 2rliA2 ARG 120 HG2 -0.04 0.09 -0.02 -0.04 1.67 1.65 2rliA2 ARG 120 HG3 -0.07 -0.17 -0.33 -0.04 1.67 1.06 2rliA2 ARG 120 HD2 -0.05 0.00 -0.37 -0.04 3.22 2.76 2rliA2 ARG 120 HD3 -0.04 -0.01 -0.47 -0.04 3.22 2.66 2rliA2 GLY 121 H 0.00 0.48 -0.21 -0.55 8.43 8.16 2rliA2 GLY 121 HA2 -0.02 0.13 0.73 -0.51 4.01 4.34 2rliA2 GLY 121 HA3 -0.01 -0.00 0.19 -0.51 4.01 3.68 2rliA2 GLN 122 H -0.02 0.32 0.21 -0.55 8.47 8.43 2rliA2 GLN 122 HA -0.04 0.09 0.47 -0.75 4.36 4.12 2rliA2 GLN 122 HB2 0.03 0.16 -0.20 -0.04 2.15 2.09 2rliA2 GLN 122 HB3 0.06 -0.03 -0.19 -0.04 2.02 1.82 2rliA2 GLN 122 HG2 0.11 0.09 0.02 -0.04 2.40 2.58 2rliA2 GLN 122 HG3 0.08 -0.03 0.16 -0.04 2.39 2.56 2rliA2 GLN 122 HE21 0.06 -0.03 -0.02 -0.04 6.97 6.94 2rliA2 GLN 122 HE22 0.08 0.04 0.03 -0.04 7.69 7.80 2rliA2 TRP 123 H 0.12 0.20 0.15 -0.55 7.97 7.89 2rliA2 TRP 123 HA -0.16 0.13 0.82 -0.75 4.62 4.65 2rliA2 TRP 123 HB2 -0.10 0.12 0.23 -0.04 3.23 3.45 2rliA2 TRP 123 HB3 -0.07 -0.08 0.01 -0.04 3.23 3.05 2rliA2 TRP 123 HD1 -0.09 0.07 0.01 -0.04 7.22 7.16 2rliA2 TRP 123 HE1 0.07 0.21 -0.04 -0.04 10.20 10.39 2rliA2 TRP 123 HE3 -0.12 0.20 0.01 -0.04 7.59 7.64 2rliA2 TRP 123 HZ2 0.09 0.12 0.02 -0.04 7.44 7.63 2rliA2 TRP 123 HZ3 -0.08 -0.10 -0.48 -0.04 7.13 6.42 2rliA2 TRP 123 HH2 0.00 -0.03 -0.12 -0.04 7.19 7.01 2rliA2 VAL 124 H 0.33 0.71 0.41 -0.55 8.24 9.14 2rliA2 VAL 124 HA 0.17 0.13 0.91 -0.75 4.13 4.58 2rliA2 VAL 124 HB 0.16 0.08 0.15 -0.04 2.12 2.47 2rliA2 VAL 124 HG13 0.19 -0.04 -0.15 -0.04 0.97 0.94 2rliA2 VAL 124 HG23 0.22 0.01 -0.06 -0.04 0.95 1.07 2rliA2 LEU 125 H 0.11 0.77 0.29 -0.55 8.37 8.99 2rliA2 LEU 125 HA 0.09 0.25 0.84 -0.75 4.35 4.77 2rliA2 LEU 125 HB2 -0.04 0.01 -0.24 -0.04 1.64 1.33 2rliA2 LEU 125 HB3 0.03 0.03 -0.18 -0.04 1.64 1.48 2rliA2 LEU 125 HG 0.06 -0.05 -0.30 -0.04 1.64 1.31 2rliA2 LEU 125 HD13 -0.03 0.01 -0.25 -0.04 0.93 0.61 2rliA2 LEU 125 HD23 -0.03 -0.01 -0.19 -0.04 0.89 0.62 2rliA2 MET 126 H 0.22 0.70 0.32 -0.55 8.47 9.16 2rliA2 MET 126 HA 0.06 0.14 0.87 -0.75 4.52 4.84 2rliA2 MET 126 HB2 0.34 -0.03 0.15 -0.04 2.15 2.57 2rliA2 MET 126 HB3 -0.15 0.01 -0.02 -0.04 2.03 1.83 2rliA2 MET 126 HG2 -0.03 0.01 -0.10 -0.04 2.63 2.46 2rliA2 MET 126 HG3 0.16 0.05 -0.13 -0.04 2.56 2.60 2rliA2 MET 126 HE3 -0.57 0.00 -0.11 -0.04 2.10 1.38 2rliA2 TYR 127 H 0.09 0.59 0.40 -0.55 8.29 8.81 2rliA2 TYR 127 HA 0.21 0.18 0.89 -0.75 4.56 5.08 2rliA2 TYR 127 HB2 0.07 -0.01 -0.06 -0.04 3.06 3.02 2rliA2 TYR 127 HB3 0.08 0.13 0.14 -0.04 2.98 3.28 2rliA2 TYR 127 HD2 0.16 0.04 -0.05 -0.04 7.15 7.26 2rliA2 TYR 127 HE2 0.03 -0.03 -0.08 -0.04 6.85 6.73 2rliA2 PHE 128 H 0.01 0.31 0.18 -0.55 8.34 8.29 2rliA2 PHE 128 HA -0.21 0.28 0.87 -0.75 4.62 4.81 2rliA2 PHE 128 HB2 0.01 0.03 0.22 -0.04 3.15 3.38 2rliA2 PHE 128 HB3 -0.06 -0.00 0.02 -0.04 3.06 2.98 2rliA2 PHE 128 HD2 -0.01 0.02 -0.11 -0.04 7.28 7.14 2rliA2 PHE 128 HE2 -0.39 -0.00 -0.12 -0.04 7.38 6.82 2rliA2 PHE 128 HZ -1.49 0.01 -0.10 -0.04 7.32 5.69 2rliA2 GLY 129 H -0.14 0.66 0.26 -0.55 8.43 8.66 2rliA2 GLY 129 HA2 -0.09 0.12 0.67 -0.51 4.01 4.20 2rliA2 GLY 129 HA3 0.02 0.02 0.19 -0.51 4.01 3.72 2rliA2 PHE 130 H 0.04 0.18 0.16 -0.55 8.34 8.16 2rliA2 PHE 130 HA -0.10 0.12 0.74 -0.75 4.62 4.63 2rliA2 PHE 130 HB2 -0.16 0.13 0.09 -0.04 3.15 3.17 2rliA2 PHE 130 HB3 -0.24 0.01 -0.13 -0.04 3.06 2.66 2rliA2 PHE 130 HD2 -0.43 0.05 -0.09 -0.04 7.28 6.77 2rliA2 PHE 130 HE2 -0.08 0.01 -0.14 -0.04 7.38 7.13 2rliA2 PHE 130 HZ 0.01 0.06 -0.17 -0.04 7.32 7.18 2rliA2 THR 131 H -0.06 0.44 0.21 -0.55 8.28 8.33 2rliA2 THR 131 HA -0.48 0.03 0.67 -0.75 4.39 3.85 2rliA2 THR 131 HB -0.57 0.05 -0.01 -0.04 4.32 3.76 2rliA2 THR 131 HG23 -0.19 -0.00 0.03 -0.04 1.22 1.02 2rliA2 HIS 132 H -0.48 0.12 0.21 -0.55 8.41 7.73 2rliA2 HIS 132 HA -0.17 0.07 0.24 -0.75 4.63 4.02 2rliA2 HIS 132 HB2 0.01 0.10 0.30 -0.04 3.26 3.63 2rliA2 HIS 132 HB3 -0.03 -0.00 0.16 -0.04 3.20 3.30 2rliA2 HIS 132 HD2 0.03 0.08 -0.03 -0.04 6.97 7.01 2rliA2 HIS 132 HE1 -0.01 0.01 -0.04 -0.04 7.75 7.66 2rliA2 CYS 133 H -0.79 0.10 0.05 -0.55 8.50 7.31 2rliA2 CYS 133 HA -0.02 0.15 0.65 -0.75 4.58 4.60 2rliA2 CYS 133 HB2 -0.33 0.07 0.16 -0.04 2.97 2.83 2rliA2 CYS 133 HB3 -0.12 -0.01 0.16 -0.04 2.97 2.96 2rliA2 PRO 134 HA 0.05 0.21 0.32 -0.51 4.44 4.51 2rliA2 PRO 134 HB2 0.08 0.04 0.02 -0.04 2.28 2.38 2rliA2 PRO 134 HB3 0.08 0.14 0.03 -0.04 2.02 2.24 2rliA2 PRO 134 HG2 0.13 0.01 0.04 -0.04 2.03 2.17 2rliA2 PRO 134 HG3 0.16 0.10 0.10 -0.04 2.03 2.35 2rliA2 PRO 134 HD2 0.17 -0.13 0.26 -0.04 3.68 3.94 2rliA2 PRO 134 HD3 0.24 0.19 0.33 -0.04 3.65 4.37 2rliA2 ASP 135 H 0.10 -0.06 0.10 -0.55 8.40 7.99 2rliA2 ASP 135 HA 0.06 0.20 0.73 -0.75 4.63 4.86 2rliA2 ASP 135 HB2 0.07 0.05 -0.46 -0.04 2.71 2.32 2rliA2 ASP 135 HB3 0.08 -0.02 -0.05 -0.04 2.70 2.67 2rliA2 ILE 136 H 0.10 -0.05 0.06 -0.55 8.25 7.81 2rliA2 ILE 136 HA 0.07 0.22 0.89 -0.75 4.18 4.60 2rliA2 ILE 136 HB 0.09 0.18 -0.12 -0.04 1.89 1.99 2rliA2 ILE 136 HG12 0.07 0.06 0.06 -0.04 1.49 1.64 2rliA2 ILE 136 HG13 0.09 -0.03 -0.07 -0.04 1.21 1.16 2rliA2 ILE 136 HG23 0.18 -0.03 0.10 -0.04 0.93 1.14 2rliA2 ILE 136 HD13 0.04 -0.02 0.09 -0.04 0.88 0.95 2rliA2 CYS 137 H 0.18 0.13 0.16 -0.55 8.50 8.42 2rliA2 CYS 137 HA 0.07 0.07 0.34 -0.75 4.58 4.30 2rliA2 CYS 137 HB2 0.18 -0.00 0.16 -0.04 2.97 3.26 2rliA2 CYS 137 HB3 0.13 0.07 -0.00 -0.04 2.97 3.13 2rliA2 PRO 138 HA 0.18 0.10 0.40 -0.51 4.44 4.60 2rliA2 PRO 138 HB2 0.08 0.11 -0.07 -0.04 2.28 2.36 2rliA2 PRO 138 HB3 0.17 0.07 0.04 -0.04 2.02 2.25 2rliA2 PRO 138 HG2 0.06 0.03 -0.18 -0.04 2.03 1.91 2rliA2 PRO 138 HG3 0.06 0.22 -0.10 -0.04 2.03 2.17 2rliA2 PRO 138 HD2 0.09 -0.24 -0.14 -0.04 3.68 3.35 2rliA2 PRO 138 HD3 0.07 0.18 0.02 -0.04 3.65 3.88 2rliA2 ASP 139 H 0.06 0.19 -0.50 -0.55 8.40 7.61 2rliA2 ASP 139 HA 0.04 0.11 0.48 -0.75 4.63 4.51 2rliA2 ASP 139 HB2 0.04 0.01 -0.03 -0.04 2.71 2.68 2rliA2 ASP 139 HB3 0.04 0.09 0.11 -0.04 2.70 2.89 2rliA2 GLU 140 H 0.03 0.52 0.03 -0.55 8.60 8.63 2rliA2 GLU 140 HA 0.01 -0.01 0.37 -0.75 4.29 3.92 2rliA2 GLU 140 HB2 -0.01 0.08 0.06 -0.04 2.09 2.18 2rliA2 GLU 140 HB3 -0.00 -0.01 -0.04 -0.04 1.99 1.90 2rliA2 GLU 140 HG2 0.03 0.13 0.04 -0.04 2.34 2.49 2rliA2 GLU 140 HG3 0.03 -0.04 -0.03 -0.04 2.34 2.26 2rliA2 LEU 141 H -0.03 0.57 -0.22 -0.55 8.37 8.14 2rliA2 LEU 141 HA -0.16 0.04 0.45 -0.75 4.35 3.92 2rliA2 LEU 141 HB2 0.01 0.02 0.14 -0.04 1.64 1.77 2rliA2 LEU 141 HB3 -0.49 0.03 -0.04 -0.04 1.64 1.09 2rliA2 LEU 141 HG -0.45 0.02 -0.05 -0.04 1.64 1.12 2rliA2 LEU 141 HD13 -0.40 -0.03 -0.18 -0.04 0.93 0.28 2rliA2 LEU 141 HD23 -0.65 -0.00 -0.09 -0.04 0.89 0.11 2rliA2 GLU 142 H 0.16 0.54 -0.05 -0.55 8.60 8.70 2rliA2 GLU 142 HA 0.22 0.06 0.42 -0.75 4.29 4.23 2rliA2 GLU 142 HB2 0.05 0.08 0.16 -0.04 2.09 2.34 2rliA2 GLU 142 HB3 0.03 0.02 0.07 -0.04 1.99 2.06 2rliA2 GLU 142 HG2 0.01 -0.06 0.11 -0.04 2.34 2.36 2rliA2 GLU 142 HG3 -0.06 0.04 0.07 -0.04 2.34 2.35 2rliA2 LYS 143 H 0.04 0.42 -0.33 -0.55 8.42 8.00 2rliA2 LYS 143 HA 0.02 -0.00 0.45 -0.75 4.32 4.03 2rliA2 LYS 143 HB2 0.02 0.13 0.10 -0.04 1.87 2.08 2rliA2 LYS 143 HB3 0.02 0.05 0.16 -0.04 1.79 1.98 2rliA2 LYS 143 HG2 0.02 0.02 -0.25 -0.04 1.46 1.21 2rliA2 LYS 143 HG3 0.02 -0.15 -0.01 -0.04 1.46 1.28 2rliA2 LYS 143 HD2 0.02 -0.02 -0.17 -0.04 1.69 1.48 2rliA2 LYS 143 HD3 0.02 -0.16 -0.46 -0.04 1.68 1.04 2rliA2 LYS 143 HE2 0.02 -0.04 -0.05 -0.04 2.99 2.88 2rliA2 LYS 143 HE3 0.02 0.16 -0.42 -0.04 2.99 2.71 2rliA2 LEU 144 H 0.00 0.68 -0.04 -0.55 8.37 8.46 2rliA2 LEU 144 HA -0.00 -0.02 0.41 -0.75 4.35 3.99 2rliA2 LEU 144 HB2 -0.02 -0.01 0.04 -0.04 1.64 1.60 2rliA2 LEU 144 HB3 -0.01 -0.04 0.07 -0.04 1.64 1.63 2rliA2 LEU 144 HG -0.07 0.13 0.20 -0.04 1.64 1.86 2rliA2 LEU 144 HD13 -0.05 0.00 -0.17 -0.04 0.93 0.66 2rliA2 LEU 144 HD23 -0.07 -0.03 -0.13 -0.04 0.89 0.62 2rliA2 VAL 145 H 0.01 0.73 -0.07 -0.55 8.24 8.35 2rliA2 VAL 145 HA 0.00 0.03 0.33 -0.75 4.13 3.73 2rliA2 VAL 145 HB 0.13 0.03 0.13 -0.04 2.12 2.36 2rliA2 VAL 145 HG13 0.10 0.00 -0.10 -0.04 0.97 0.93 2rliA2 VAL 145 HG23 -0.03 -0.01 -0.01 -0.04 0.95 0.86 2rliA2 GLN 146 H 0.03 0.67 -0.06 -0.55 8.47 8.56 2rliA2 GLN 146 HA -0.00 0.05 0.60 -0.75 4.36 4.25 2rliA2 GLN 146 HB2 -0.00 -0.05 0.13 -0.04 2.15 2.18 2rliA2 GLN 146 HB3 0.01 0.04 0.15 -0.04 2.02 2.18 2rliA2 GLN 146 HG2 0.01 0.19 0.24 -0.04 2.40 2.80 2rliA2 GLN 146 HG3 0.00 -0.08 -0.05 -0.04 2.39 2.22 2rliA2 GLN 146 HE21 0.01 0.31 -0.39 -0.04 6.97 6.86 2rliA2 GLN 146 HE22 -0.00 -0.07 -0.09 -0.04 7.69 7.49 2rliA2 VAL 147 H 0.00 0.54 -0.11 -0.55 8.24 8.13 2rliA2 VAL 147 HA -0.00 -0.02 0.53 -0.75 4.13 3.88 2rliA2 VAL 147 HB -0.01 0.10 0.19 -0.04 2.12 2.36 2rliA2 VAL 147 HG13 -0.02 -0.02 -0.10 -0.04 0.97 0.79 2rliA2 VAL 147 HG23 0.00 -0.01 0.09 -0.04 0.95 0.99 2rliA2 VAL 148 H -0.01 0.72 -0.04 -0.55 8.24 8.36 2rliA2 VAL 148 HA -0.01 0.00 0.44 -0.75 4.13 3.81 2rliA2 VAL 148 HB -0.01 0.11 0.19 -0.04 2.12 2.37 2rliA2 VAL 148 HG13 0.00 -0.02 -0.00 -0.04 0.97 0.91 2rliA2 VAL 148 HG23 -0.01 -0.00 0.03 -0.04 0.95 0.93 2rliA2 ARG 149 H -0.01 0.39 -0.24 -0.55 8.46 8.04 2rliA2 ARG 149 HA -0.02 0.02 0.48 -0.75 4.34 4.06 2rliA2 ARG 149 HB2 -0.02 0.06 0.20 -0.04 1.90 2.09 2rliA2 ARG 149 HB3 -0.01 0.07 0.15 -0.04 1.80 1.96 2rliA2 ARG 149 HG2 -0.02 -0.03 0.04 -0.04 1.67 1.62 2rliA2 ARG 149 HG3 -0.04 -0.01 0.08 -0.04 1.67 1.66 2rliA2 ARG 149 HD2 -0.04 -0.02 0.02 -0.04 3.22 3.13 2rliA2 ARG 149 HD3 -0.03 0.01 0.03 -0.04 3.22 3.18 2rliA2 GLN 150 H -0.01 0.41 -0.10 -0.55 8.47 8.23 2rliA2 GLN 150 HA -0.00 -0.02 0.54 -0.75 4.36 4.13 2rliA2 GLN 150 HB2 -0.01 0.11 0.18 -0.04 2.15 2.39 2rliA2 GLN 150 HB3 -0.00 -0.05 0.02 -0.04 2.02 1.95 2rliA2 GLN 150 HG2 -0.00 -0.02 0.03 -0.04 2.40 2.36 2rliA2 GLN 150 HG3 -0.00 0.08 0.05 -0.04 2.39 2.47 2rliA2 GLN 150 HE21 -0.00 0.01 -0.02 -0.04 6.97 6.92 2rliA2 GLN 150 HE22 -0.00 -0.04 -0.02 -0.04 7.69 7.59 2rliA2 LEU 151 H -0.00 0.57 -0.09 -0.55 8.37 8.30 2rliA2 LEU 151 HA 0.00 0.00 0.23 -0.75 4.35 3.83 2rliA2 LEU 151 HB2 -0.01 -0.04 0.10 -0.04 1.64 1.65 2rliA2 LEU 151 HB3 0.01 0.17 -0.13 -0.04 1.64 1.65 2rliA2 LEU 151 HG -0.00 0.03 -0.06 -0.04 1.64 1.57 2rliA2 LEU 151 HD13 -0.01 -0.02 -0.11 -0.04 0.93 0.74 2rliA2 LEU 151 HD23 -0.03 -0.02 -0.10 -0.04 0.89 0.71 2rliA2 GLU 152 H 0.00 0.33 -0.28 -0.55 8.60 8.11 2rliA2 GLU 152 HA 0.02 0.09 0.58 -0.75 4.29 4.22 2rliA2 GLU 152 HB2 -0.00 0.08 0.19 -0.04 2.09 2.31 2rliA2 GLU 152 HB3 0.00 -0.06 0.02 -0.04 1.99 1.91 2rliA2 GLU 152 HG2 0.01 -0.00 0.03 -0.04 2.34 2.34 2rliA2 GLU 152 HG3 -0.00 -0.07 0.02 -0.04 2.34 2.25 2rliA2 ALA 153 H 0.00 0.32 -0.05 -0.55 8.40 8.13 2rliA2 ALA 153 HA 0.00 -0.05 0.15 -0.75 4.34 3.69 2rliA2 ALA 153 HB3 -0.00 -0.04 0.11 -0.04 1.41 1.44 2rliA2 GLU 154 H 0.00 0.76 -0.03 -0.55 8.60 8.79 2rliA2 GLU 154 HA 0.00 -0.03 0.60 -0.75 4.29 4.11 2rliA2 GLU 154 HB2 0.00 -0.05 0.09 -0.04 2.09 2.08 2rliA2 GLU 154 HB3 0.00 0.05 0.02 -0.04 1.99 2.02 2rliA2 GLU 154 HG2 0.00 -0.03 -0.09 -0.04 2.34 2.19 2rliA2 GLU 154 HG3 0.00 -0.04 0.04 -0.04 2.34 2.31 2rliA2 PRO 155 HA 0.01 0.22 -0.06 -0.51 4.44 4.09 2rliA2 PRO 155 HB2 0.01 -0.01 0.10 -0.04 2.28 2.34 2rliA2 PRO 155 HB3 0.01 0.05 0.12 -0.04 2.02 2.16 2rliA2 PRO 155 HG2 0.01 -0.11 0.16 -0.04 2.03 2.05 2rliA2 PRO 155 HG3 0.01 0.01 0.13 -0.04 2.03 2.13 2rliA2 PRO 155 HD2 0.01 0.01 0.17 -0.04 3.68 3.82 2rliA2 PRO 155 HD3 0.01 0.22 0.32 -0.04 3.65 4.16 2rliA2 GLY 156 H 0.01 0.01 0.10 -0.55 8.43 8.01 2rliA2 GLY 156 HA2 0.02 0.07 0.22 -0.51 4.01 3.81 2rliA2 GLY 156 HA3 0.02 -0.08 0.30 -0.51 4.01 3.74 2rliA2 LEU 157 H 0.02 0.20 -0.59 -0.55 8.37 7.45 2rliA2 LEU 157 HA 0.04 -0.01 0.65 -0.75 4.35 4.28 2rliA2 LEU 157 HB2 0.02 0.31 0.04 -0.04 1.64 1.97 2rliA2 LEU 157 HB3 0.02 -0.01 0.01 -0.04 1.64 1.61 2rliA2 LEU 157 HG 0.01 -0.10 -0.13 -0.04 1.64 1.38 2rliA2 LEU 157 HD13 -0.00 -0.03 -0.08 -0.04 0.93 0.77 2rliA2 LEU 157 HD23 0.01 -0.02 -0.09 -0.04 0.89 0.75 2rliA2 PRO 158 HA 0.09 0.16 0.61 -0.51 4.44 4.78 2rliA2 PRO 158 HB2 0.20 0.09 0.03 -0.04 2.28 2.56 2rliA2 PRO 158 HB3 0.18 0.01 0.09 -0.04 2.02 2.25 2rliA2 PRO 158 HG2 0.12 -0.04 -0.01 -0.04 2.03 2.06 2rliA2 PRO 158 HG3 0.23 -0.02 0.07 -0.04 2.03 2.27 2rliA2 PRO 158 HD2 0.06 -0.03 0.21 -0.04 3.68 3.88 2rliA2 PRO 158 HD3 0.09 0.20 0.23 -0.04 3.65 4.14 2rliA2 PRO 159 HA 0.03 0.09 0.57 -0.51 4.44 4.62 2rliA2 PRO 159 HB2 0.05 -0.02 -0.06 -0.04 2.28 2.21 2rliA2 PRO 159 HB3 0.03 0.07 0.03 -0.04 2.02 2.11 2rliA2 PRO 159 HG2 0.08 -0.04 0.00 -0.04 2.03 2.03 2rliA2 PRO 159 HG3 0.05 0.02 0.04 -0.04 2.03 2.11 2rliA2 PRO 159 HD2 0.10 0.03 0.24 -0.04 3.68 4.01 2rliA2 PRO 159 HD3 0.06 0.28 0.17 -0.04 3.65 4.12 2rliA2 VAL 160 H 0.02 0.23 0.14 -0.55 8.24 8.09 2rliA2 VAL 160 HA 0.10 0.20 0.66 -0.75 4.13 4.33 2rliA2 VAL 160 HB -0.05 -0.06 -0.06 -0.04 2.12 1.90 2rliA2 VAL 160 HG13 -0.08 -0.02 -0.33 -0.04 0.97 0.50 2rliA2 VAL 160 HG23 -0.17 0.02 -0.28 -0.04 0.95 0.49 2rliA2 GLN 161 H 0.10 0.64 0.21 -0.55 8.47 8.87 2rliA2 GLN 161 HA 0.06 0.18 0.69 -0.75 4.36 4.54 2rliA2 GLN 161 HB2 0.11 0.04 0.18 -0.04 2.15 2.43 2rliA2 GLN 161 HB3 0.09 -0.02 -0.11 -0.04 2.02 1.94 2rliA2 GLN 161 HG2 0.06 0.04 -0.07 -0.04 2.40 2.39 2rliA2 GLN 161 HG3 0.08 0.02 -0.13 -0.04 2.39 2.32 2rliA2 GLN 161 HE21 0.04 -0.01 -0.11 -0.04 6.97 6.85 2rliA2 GLN 161 HE22 0.05 0.03 -0.12 -0.04 7.69 7.61 2rliA2 PRO 162 HA 0.06 0.20 0.71 -0.51 4.44 4.90 2rliA2 PRO 162 HB2 -0.00 -0.04 -0.07 -0.04 2.28 2.13 2rliA2 PRO 162 HB3 -0.00 -0.01 -0.00 -0.04 2.02 1.96 2rliA2 PRO 162 HG2 0.02 -0.03 0.12 -0.04 2.03 2.11 2rliA2 PRO 162 HG3 -0.01 0.03 0.02 -0.04 2.03 2.03 2rliA2 PRO 162 HD2 0.04 0.10 0.26 -0.04 3.68 4.04 2rliA2 PRO 162 HD3 0.02 0.29 0.14 -0.04 3.65 4.06 2rliA2 VAL 163 H 0.11 0.80 0.44 -0.55 8.24 9.04 2rliA2 VAL 163 HA 0.12 0.13 0.87 -0.75 4.13 4.49 2rliA2 VAL 163 HB 0.09 -0.07 0.15 -0.04 2.12 2.24 2rliA2 VAL 163 HG13 0.14 -0.02 -0.21 -0.04 0.97 0.84 2rliA2 VAL 163 HG23 0.26 0.03 -0.08 -0.04 0.95 1.12 2rliA2 PHE 164 H 0.19 0.60 0.20 -0.55 8.34 8.78 2rliA2 PHE 164 HA 0.14 0.12 0.83 -0.75 4.62 4.96 2rliA2 PHE 164 HB2 0.12 0.01 -0.05 -0.04 3.15 3.18 2rliA2 PHE 164 HB3 0.06 0.03 0.00 -0.04 3.06 3.12 2rliA2 PHE 164 HD2 0.13 0.07 -0.14 -0.04 7.28 7.30 2rliA2 PHE 164 HE2 -0.02 -0.02 -0.13 -0.04 7.38 7.16 2rliA2 PHE 164 HZ -0.19 -0.06 -0.18 -0.04 7.32 6.84 2rliA2 ILE 165 H -0.09 0.74 0.31 -0.55 8.25 8.66 2rliA2 ILE 165 HA -0.37 0.08 0.93 -0.75 4.18 4.06 2rliA2 ILE 165 HB -0.91 0.04 0.14 -0.04 1.89 1.12 2rliA2 ILE 165 HG12 -0.26 -0.03 -0.11 -0.04 1.49 1.05 2rliA2 ILE 165 HG13 -0.40 0.05 -0.05 -0.04 1.21 0.77 2rliA2 ILE 165 HG23 -0.32 0.02 -0.08 -0.04 0.93 0.51 2rliA2 ILE 165 HD13 -0.91 -0.00 -0.10 -0.04 0.88 -0.18 2rliA2 THR 166 H -0.52 0.36 0.25 -0.55 8.28 7.82 2rliA2 THR 166 HA -0.14 0.23 0.87 -0.75 4.39 4.60 2rliA2 THR 166 HB -0.61 0.04 0.06 -0.04 4.32 3.77 2rliA2 THR 166 HG23 -0.19 0.02 0.08 -0.04 1.22 1.08 2rliA2 VAL 167 H -0.02 0.76 0.23 -0.55 8.24 8.66 2rliA2 VAL 167 HA -0.06 0.17 0.73 -0.75 4.13 4.21 2rliA2 VAL 167 HB 0.14 -0.02 -0.26 -0.04 2.12 1.94 2rliA2 VAL 167 HG13 -0.00 0.02 -0.34 -0.04 0.97 0.60 2rliA2 VAL 167 HG23 -0.00 0.01 0.01 -0.04 0.95 0.93 2rliA2 ASP 168 H -0.06 0.02 -0.07 -0.55 8.40 7.75 2rliA2 ASP 168 HA -0.09 0.09 0.29 -0.75 4.63 4.17 2rliA2 ASP 168 HB2 -0.24 0.29 0.33 -0.04 2.71 3.05 2rliA2 ASP 168 HB3 -0.05 -0.07 0.13 -0.04 2.70 2.67 2rliA2 PRO 169 HA -0.03 0.14 0.59 -0.51 4.44 4.64 2rliA2 PRO 169 HB2 -0.03 -0.12 0.14 -0.04 2.28 2.24 2rliA2 PRO 169 HB3 -0.05 0.08 0.10 -0.04 2.02 2.11 2rliA2 PRO 169 HG2 -0.04 0.00 -0.07 -0.04 2.03 1.89 2rliA2 PRO 169 HG3 -0.06 0.08 -0.08 -0.04 2.03 1.94 2rliA2 PRO 169 HD2 -0.06 0.24 0.06 -0.04 3.68 3.89 2rliA2 PRO 169 HD3 -0.07 0.10 -0.04 -0.04 3.65 3.60 2rliA2 GLU 170 H -0.01 0.12 -0.62 -0.55 8.60 7.55 2rliA2 GLU 170 HA 0.01 0.10 0.31 -0.75 4.29 3.95 2rliA2 GLU 170 HB2 0.05 0.06 -0.14 -0.04 2.09 2.02 2rliA2 GLU 170 HB3 0.02 0.05 0.17 -0.04 1.99 2.19 2rliA2 GLU 170 HG2 0.06 0.01 -0.09 -0.04 2.34 2.28 2rliA2 GLU 170 HG3 0.07 0.01 0.03 -0.04 2.34 2.42 2rliA2 ARG 171 H -0.00 0.61 0.22 -0.55 8.46 8.73 2rliA2 ARG 171 HA 0.00 0.20 0.64 -0.75 4.34 4.43 2rliA2 ARG 171 HB2 0.01 0.03 0.05 -0.04 1.90 1.95 2rliA2 ARG 171 HB3 0.00 -0.05 0.02 -0.04 1.80 1.74 2rliA2 ARG 171 HG2 0.01 0.00 -0.01 -0.04 1.67 1.64 2rliA2 ARG 171 HG3 0.01 -0.03 0.01 -0.04 1.67 1.61 2rliA2 ARG 171 HD2 0.01 0.03 0.07 -0.04 3.22 3.29 2rliA2 ARG 171 HD3 0.01 0.02 -0.01 -0.04 3.22 3.20 2rliA2 ASP 172 H -0.02 0.01 -0.39 -0.55 8.40 7.45 2rliA2 ASP 172 HA -0.02 -0.07 0.25 -0.75 4.63 4.04 2rliA2 ASP 172 HB2 -0.03 0.00 -0.16 -0.04 2.71 2.49 2rliA2 ASP 172 HB3 -0.02 0.16 -0.12 -0.04 2.70 2.68 2rliA2 ASP 173 H -0.01 0.13 0.06 -0.55 8.40 8.03 2rliA2 ASP 173 HA -0.00 0.21 0.71 -0.75 4.63 4.80 2rliA2 ASP 173 HB2 0.00 0.27 -0.22 -0.04 2.71 2.72 2rliA2 ASP 173 HB3 0.01 -0.11 -0.03 -0.04 2.70 2.52 2rliA2 VAL 174 H 0.01 0.28 0.14 -0.55 8.24 8.12 2rliA2 VAL 174 HA 0.03 0.04 0.42 -0.75 4.13 3.86 2rliA2 VAL 174 HB 0.06 0.10 0.11 -0.04 2.12 2.35 2rliA2 VAL 174 HG13 0.02 0.02 0.01 -0.04 0.97 0.98 2rliA2 VAL 174 HG23 0.02 0.03 0.05 -0.04 0.95 1.01 2rliA2 GLU 175 H 0.03 0.09 -0.28 -0.55 8.60 7.88 2rliA2 GLU 175 HA 0.05 0.13 0.39 -0.75 4.29 4.10 2rliA2 GLU 175 HB2 0.02 -0.03 0.02 -0.04 2.09 2.06 2rliA2 GLU 175 HB3 0.03 0.07 -0.00 -0.04 1.99 2.05 2rliA2 GLU 175 HG2 0.02 0.07 0.02 -0.04 2.34 2.41 2rliA2 GLU 175 HG3 0.02 -0.07 0.01 -0.04 2.34 2.27 2rliA2 ALA 176 H 0.04 0.31 -0.29 -0.55 8.40 7.91 2rliA2 ALA 176 HA 0.05 0.11 0.46 -0.75 4.34 4.21 2rliA2 ALA 176 HB3 0.02 0.02 0.14 -0.04 1.41 1.54 2rliA2 MET 177 H 0.07 0.22 -0.07 -0.55 8.47 8.14 2rliA2 MET 177 HA 0.33 0.04 0.40 -0.75 4.52 4.53 2rliA2 MET 177 HB2 0.05 0.04 0.10 -0.04 2.15 2.29 2rliA2 MET 177 HB3 0.09 0.05 -0.02 -0.04 2.03 2.11 2rliA2 MET 177 HG2 -0.20 0.03 -0.33 -0.04 2.63 2.09 2rliA2 MET 177 HG3 -0.22 0.03 -0.07 -0.04 2.56 2.26 2rliA2 MET 177 HE3 -0.05 -0.02 -0.07 -0.04 2.10 1.92 2rliA2 ALA 178 H 0.13 0.55 -0.07 -0.55 8.40 8.47 2rliA2 ALA 178 HA 0.18 0.03 0.37 -0.75 4.34 4.17 2rliA2 ALA 178 HB3 0.07 0.01 0.10 -0.04 1.41 1.55 2rliA2 ARG 179 H 0.11 0.47 -0.26 -0.55 8.46 8.23 2rliA2 ARG 179 HA 0.06 0.05 0.47 -0.75 4.34 4.17 2rliA2 ARG 179 HB2 0.06 0.06 0.15 -0.04 1.90 2.13 2rliA2 ARG 179 HB3 0.10 0.03 0.18 -0.04 1.80 2.07 2rliA2 ARG 179 HG2 0.07 -0.01 -0.09 -0.04 1.67 1.60 2rliA2 ARG 179 HG3 0.04 -0.00 0.05 -0.04 1.67 1.72 2rliA2 ARG 179 HD2 0.04 -0.01 0.00 -0.04 3.22 3.21 2rliA2 ARG 179 HD3 0.05 -0.03 -0.00 -0.04 3.22 3.20 2rliA2 TYR 180 H 0.26 0.47 -0.05 -0.55 8.29 8.42 2rliA2 TYR 180 HA 0.07 0.03 0.34 -0.75 4.56 4.25 2rliA2 TYR 180 HB2 0.06 0.02 0.11 -0.04 3.06 3.21 2rliA2 TYR 180 HB3 0.16 0.04 0.11 -0.04 2.98 3.25 2rliA2 TYR 180 HD2 -0.20 0.02 -0.08 -0.04 7.15 6.85 2rliA2 TYR 180 HE2 -0.39 -0.00 -0.06 -0.04 6.85 6.35 2rliA2 VAL 181 H 0.27 0.70 -0.08 -0.55 8.24 8.58 2rliA2 VAL 181 HA 0.12 -0.03 0.39 -0.75 4.13 3.87 2rliA2 VAL 181 HB 0.24 0.04 0.13 -0.04 2.12 2.49 2rliA2 VAL 181 HG13 0.17 -0.01 -0.10 -0.04 0.97 0.99 2rliA2 VAL 181 HG23 0.33 -0.07 -0.06 -0.04 0.95 1.11 2rliA2 GLN 182 H 0.06 0.51 -0.16 -0.55 8.47 8.34 2rliA2 GLN 182 HA -0.05 -0.03 0.27 -0.75 4.36 3.80 2rliA2 GLN 182 HB2 0.01 0.13 0.13 -0.04 2.15 2.38 2rliA2 GLN 182 HB3 -0.03 -0.04 -0.03 -0.04 2.02 1.88 2rliA2 GLN 182 HG2 -0.05 -0.05 0.04 -0.04 2.40 2.30 2rliA2 GLN 182 HG3 -0.02 0.06 0.09 -0.04 2.39 2.48 2rliA2 GLN 182 HE21 0.02 0.36 -0.25 -0.04 6.97 7.06 2rliA2 GLN 182 HE22 0.01 -0.09 -0.09 -0.04 7.69 7.47 2rliA2 ASP 183 H 0.00 0.30 -0.39 -0.55 8.40 7.76 2rliA2 ASP 183 HA -0.06 0.04 0.34 -0.75 4.63 4.20 2rliA2 ASP 183 HB2 -0.02 0.05 0.08 -0.04 2.71 2.77 2rliA2 ASP 183 HB3 -0.10 0.04 0.09 -0.04 2.70 2.69 2rliA2 PHE 184 H 0.03 0.32 -0.18 -0.55 8.34 7.97 2rliA2 PHE 184 HA -0.11 0.03 0.67 -0.75 4.62 4.46 2rliA2 PHE 184 HB2 -0.23 0.10 0.18 -0.04 3.15 3.16 2rliA2 PHE 184 HB3 -0.08 0.00 0.03 -0.04 3.06 2.97 2rliA2 PHE 184 HD2 -0.50 0.08 -0.03 -0.04 7.28 6.79 2rliA2 PHE 184 HE2 -0.25 -0.06 -0.15 -0.04 7.38 6.88 2rliA2 PHE 184 HZ -0.12 -0.06 0.02 -0.04 7.32 7.13 2rliA2 HIS 185 H 0.13 0.48 0.05 -0.55 8.41 8.53 2rliA2 HIS 185 HA 0.02 0.17 0.37 -0.75 4.63 4.43 2rliA2 HIS 185 HB2 0.04 0.23 0.01 -0.04 3.26 3.51 2rliA2 HIS 185 HB3 0.06 -0.12 -0.07 -0.04 3.20 3.03 2rliA2 HIS 185 HD2 0.01 0.08 0.09 -0.04 6.97 7.11 2rliA2 HIS 185 HE1 0.02 0.02 -0.03 -0.04 7.75 7.71 2rliA2 PRO 186 HA -0.08 0.05 0.11 -0.51 4.44 4.00 2rliA2 PRO 186 HB2 -0.14 0.02 0.03 -0.04 2.28 2.15 2rliA2 PRO 186 HB3 -0.14 0.01 0.10 -0.04 2.02 1.94 2rliA2 PRO 186 HG2 -0.47 0.02 0.06 -0.04 2.03 1.60 2rliA2 PRO 186 HG3 -0.23 0.04 0.08 -0.04 2.03 1.88 2rliA2 PRO 186 HD2 -1.09 0.11 0.21 -0.04 3.68 2.88 2rliA2 PRO 186 HD3 -0.28 0.24 0.19 -0.04 3.65 3.76 2rliA2 ARG 187 H 0.16 0.08 -0.44 -0.55 8.46 7.71 2rliA2 ARG 187 HA 0.12 0.09 0.61 -0.75 4.34 4.40 2rliA2 ARG 187 HB2 0.37 0.00 -0.02 -0.04 1.90 2.21 2rliA2 ARG 187 HB3 0.14 0.01 0.04 -0.04 1.80 1.95 2rliA2 ARG 187 HG2 0.11 0.01 0.00 -0.04 1.67 1.75 2rliA2 ARG 187 HG3 0.23 -0.04 -0.05 -0.04 1.67 1.77 2rliA2 ARG 187 HD2 0.09 -0.00 -0.02 -0.04 3.22 3.24 2rliA2 ARG 187 HD3 0.09 0.01 -0.03 -0.04 3.22 3.25 2rliA2 LEU 188 H 0.15 0.58 -0.12 -0.55 8.37 8.43 2rliA2 LEU 188 HA 0.11 0.06 0.50 -0.75 4.35 4.26 2rliA2 LEU 188 HB2 0.12 0.14 0.19 -0.04 1.64 2.05 2rliA2 LEU 188 HB3 0.13 -0.07 0.13 -0.04 1.64 1.79 2rliA2 LEU 188 HG -0.09 -0.03 -0.02 -0.04 1.64 1.46 2rliA2 LEU 188 HD13 0.13 -0.04 -0.19 -0.04 0.93 0.78 2rliA2 LEU 188 HD23 -0.07 0.01 -0.02 -0.04 0.89 0.77 2rliA2 LEU 189 H 0.11 0.28 0.20 -0.55 8.37 8.41 2rliA2 LEU 189 HA 0.03 0.11 0.58 -0.75 4.35 4.30 2rliA2 LEU 189 HB2 0.07 0.18 0.12 -0.04 1.64 1.97 2rliA2 LEU 189 HB3 0.07 -0.09 0.25 -0.04 1.64 1.83 2rliA2 LEU 189 HG 0.02 0.04 -0.03 -0.04 1.64 1.62 2rliA2 LEU 189 HD13 0.02 0.01 -0.07 -0.04 0.93 0.85 2rliA2 LEU 189 HD23 -0.06 -0.03 -0.21 -0.04 0.89 0.55 2rliA2 GLY 190 H -0.18 0.32 0.16 -0.55 8.43 8.18 2rliA2 GLY 190 HA2 -0.05 0.21 0.74 -0.51 4.01 4.40 2rliA2 GLY 190 HA3 0.01 -0.04 0.32 -0.51 4.01 3.78 2rliA2 LEU 191 H -0.26 0.77 0.37 -0.55 8.37 8.71 2rliA2 LEU 191 HA -0.13 0.23 0.91 -0.75 4.35 4.61 2rliA2 LEU 191 HB2 -0.12 0.02 0.12 -0.04 1.64 1.62 2rliA2 LEU 191 HB3 -0.02 -0.05 -0.06 -0.04 1.64 1.47 2rliA2 LEU 191 HG -0.02 0.06 -0.22 -0.04 1.64 1.42 2rliA2 LEU 191 HD13 0.24 0.01 -0.16 -0.04 0.93 0.98 2rliA2 LEU 191 HD23 -0.04 -0.02 -0.29 -0.04 0.89 0.50 2rliA2 THR 192 H -0.08 0.62 0.29 -0.55 8.28 8.57 2rliA2 THR 192 HA -0.14 0.05 0.58 -0.75 4.39 4.12 2rliA2 THR 192 HB -0.05 -0.05 -0.07 -0.04 4.32 4.10 2rliA2 THR 192 HG23 -0.05 0.02 -0.14 -0.04 1.22 1.01 2rliA2 GLY 193 H -0.15 0.27 0.22 -0.55 8.43 8.22 2rliA2 GLY 193 HA2 -0.03 0.09 0.62 -0.51 4.01 4.18 2rliA2 GLY 193 HA3 -0.08 0.28 0.44 -0.51 4.01 4.15 2rliA2 SER 194 H -0.03 0.49 -0.33 -0.55 8.46 8.04 2rliA2 SER 194 HA -0.03 0.09 0.45 -0.75 4.49 4.24 2rliA2 SER 194 HB2 -0.01 0.03 0.04 -0.04 3.95 3.97 2rliA2 SER 194 HB3 -0.01 0.01 0.10 -0.04 3.93 3.98 2rliA2 THR 195 H -0.02 0.19 0.12 -0.55 8.28 8.03 2rliA2 THR 195 HA -0.02 0.10 0.13 -0.75 4.39 3.85 2rliA2 THR 195 HB -0.01 0.08 0.04 -0.04 4.32 4.39 2rliA2 THR 195 HG23 -0.02 0.02 0.06 -0.04 1.22 1.24 2rliA2 LYS 196 H -0.00 0.10 -0.02 -0.55 8.42 7.94 2rliA2 LYS 196 HA 0.01 0.11 0.45 -0.75 4.32 4.14 2rliA2 LYS 196 HB2 0.01 -0.02 0.06 -0.04 1.87 1.87 2rliA2 LYS 196 HB3 0.01 0.07 0.06 -0.04 1.79 1.88 2rliA2 LYS 196 HG2 0.00 0.04 0.02 -0.04 1.46 1.48 2rliA2 LYS 196 HG3 -0.00 -0.06 0.03 -0.04 1.46 1.39 2rliA2 LYS 196 HD2 0.00 -0.00 0.01 -0.04 1.69 1.65 2rliA2 LYS 196 HD3 0.00 0.03 0.01 -0.04 1.68 1.69 2rliA2 LYS 196 HE2 -0.00 0.02 -0.00 -0.04 2.99 2.96 2rliA2 LYS 196 HE3 -0.00 -0.02 0.00 -0.04 2.99 2.93 2rliA2 GLN 197 H 0.02 0.22 -0.26 -0.55 8.47 7.90 2rliA2 GLN 197 HA 0.07 0.11 0.78 -0.75 4.36 4.57 2rliA2 GLN 197 HB2 0.03 -0.02 0.17 -0.04 2.15 2.28 2rliA2 GLN 197 HB3 0.08 0.03 0.12 -0.04 2.02 2.20 2rliA2 GLN 197 HG2 0.07 0.14 0.19 -0.04 2.40 2.76 2rliA2 GLN 197 HG3 0.06 -0.01 0.06 -0.04 2.39 2.45 2rliA2 GLN 197 HE21 0.01 0.26 0.25 -0.04 6.97 7.46 2rliA2 GLN 197 HE22 -0.00 -0.11 0.08 -0.04 7.69 7.62 2rliA2 VAL 198 H 0.01 0.63 -0.14 -0.55 8.24 8.18 2rliA2 VAL 198 HA 0.02 -0.03 0.21 -0.75 4.13 3.58 2rliA2 VAL 198 HB -0.02 0.07 0.04 -0.04 2.12 2.17 2rliA2 VAL 198 HG13 -0.03 -0.00 -0.19 -0.04 0.97 0.71 2rliA2 VAL 198 HG23 -0.02 -0.00 -0.01 -0.04 0.95 0.88 2rliA2 ALA 199 H 0.02 0.54 -0.18 -0.55 8.40 8.23 2rliA2 ALA 199 HA 0.04 0.04 0.39 -0.75 4.34 4.06 2rliA2 ALA 199 HB3 0.01 0.01 0.05 -0.04 1.41 1.44 2rliA2 GLN 200 H 0.06 0.33 -0.33 -0.55 8.47 7.99 2rliA2 GLN 200 HA 0.13 0.10 0.76 -0.75 4.36 4.60 2rliA2 GLN 200 HB2 0.09 0.10 0.21 -0.04 2.15 2.52 2rliA2 GLN 200 HB3 0.11 -0.02 0.09 -0.04 2.02 2.15 2rliA2 GLN 200 HG2 0.06 -0.02 0.06 -0.04 2.40 2.46 2rliA2 GLN 200 HG3 0.05 0.02 0.06 -0.04 2.39 2.48 2rliA2 GLN 200 HE21 0.05 0.56 0.23 -0.04 6.97 7.77 2rliA2 GLN 200 HE22 0.06 -0.12 0.04 -0.04 7.69 7.63 2rliA2 ALA 201 H 0.07 0.59 0.07 -0.55 8.40 8.58 2rliA2 ALA 201 HA 0.06 0.02 0.36 -0.75 4.34 4.02 2rliA2 ALA 201 HB3 -0.02 -0.00 0.01 -0.04 1.41 1.36 2rliA2 SER 202 H 0.05 0.68 0.04 -0.55 8.46 8.69 2rliA2 SER 202 HA -0.07 0.23 0.59 -0.75 4.49 4.48 2rliA2 SER 202 HB2 0.07 0.04 0.12 -0.04 3.95 4.13 2rliA2 SER 202 HB3 0.12 -0.08 0.10 -0.04 3.93 4.02 2rliA2 HIS 203 H 0.12 0.13 -0.53 -0.55 8.41 7.59 2rliA2 HIS 203 HA -0.04 0.06 0.58 -0.75 4.63 4.47 2rliA2 HIS 203 HB2 -0.01 -0.01 0.09 -0.04 3.26 3.29 2rliA2 HIS 203 HB3 -0.00 0.13 0.11 -0.04 3.20 3.40 2rliA2 HIS 203 HD2 -0.03 -0.01 0.05 -0.04 6.97 6.93 2rliA2 HIS 203 HE1 -0.01 -0.04 -0.01 -0.04 7.75 7.64 2rliA2 SER 204 H 0.00 0.25 -0.31 -0.55 8.46 7.87 2rliA2 SER 204 HA -0.24 0.03 0.46 -0.75 4.49 3.99 2rliA2 SER 204 HB2 0.07 0.01 0.20 -0.04 3.95 4.19 2rliA2 SER 204 HB3 -0.06 -0.08 -0.00 -0.04 3.93 3.74 2rliA2 TYR 205 H 0.11 0.71 0.12 -0.55 8.29 8.68 2rliA2 TYR 205 HA -0.30 0.06 0.64 -0.75 4.56 4.20 2rliA2 TYR 205 HB2 -0.34 0.05 0.14 -0.04 3.06 2.86 2rliA2 TYR 205 HB3 -0.56 -0.05 -0.06 -0.04 2.98 2.28 2rliA2 TYR 205 HD2 -0.32 0.04 -0.02 -0.04 7.15 6.81 2rliA2 TYR 205 HE2 -0.47 -0.03 -0.09 -0.04 6.85 6.22 2rliA2 ARG 206 H -0.19 0.20 -0.09 -0.55 8.46 7.83 2rliA2 ARG 206 HA -0.14 0.34 0.38 -0.75 4.34 4.17 2rliA2 ARG 206 HB2 -0.15 -0.07 0.14 -0.04 1.90 1.78 2rliA2 ARG 206 HB3 -0.12 -0.05 0.09 -0.04 1.80 1.68 2rliA2 ARG 206 HG2 -0.09 -0.09 0.02 -0.04 1.67 1.48 2rliA2 ARG 206 HG3 -0.09 0.10 -0.01 -0.04 1.67 1.64 2rliA2 ARG 206 HD2 -0.15 0.08 0.04 -0.04 3.22 3.15 2rliA2 ARG 206 HD3 -0.17 0.08 -0.21 -0.04 3.22 2.89 2rliA2 VAL 207 H -0.23 0.66 0.42 -0.55 8.24 8.54 2rliA2 VAL 207 HA -0.19 0.02 0.65 -0.75 4.13 3.85 2rliA2 VAL 207 HB -0.20 -0.05 0.04 -0.04 2.12 1.87 2rliA2 VAL 207 HG13 -1.09 0.00 -0.10 -0.04 0.97 -0.25 2rliA2 VAL 207 HG23 -0.20 0.04 0.03 -0.04 0.95 0.78 2rliA2 TYR 208 H 0.06 0.08 0.16 -0.55 8.29 8.04 2rliA2 TYR 208 HA -0.24 0.18 0.65 -0.75 4.56 4.39 2rliA2 TYR 208 HB2 -0.10 0.09 -0.01 -0.04 3.06 3.00 2rliA2 TYR 208 HB3 -0.05 -0.08 0.08 -0.04 2.98 2.89 2rliA2 TYR 208 HD2 -0.05 -0.02 -0.25 -0.04 7.15 6.79 2rliA2 TYR 208 HE2 -0.00 -0.03 -0.22 -0.04 6.85 6.55 2rliA2 TYR 209 H -0.70 0.35 0.21 -0.55 8.29 7.60 2rliA2 TYR 209 HA -0.53 0.15 0.60 -0.75 4.56 4.02 2rliA2 TYR 209 HB2 -0.23 -0.01 0.06 -0.04 3.06 2.83 2rliA2 TYR 209 HB3 -0.15 0.03 0.12 -0.04 2.98 2.94 2rliA2 TYR 209 HD2 -0.13 -0.02 -0.25 -0.04 7.15 6.71 2rliA2 TYR 209 HE2 -0.09 -0.02 -0.03 -0.04 6.85 6.67 2rliA2 ASN 210 H -0.23 0.59 0.30 -0.55 8.53 8.65 2rliA2 ASN 210 HA -0.08 0.14 0.87 -0.75 4.76 4.93 2rliA2 ASN 210 HB2 -0.27 0.06 -0.30 -0.04 2.88 2.33 2rliA2 ASN 210 HB3 -0.13 -0.04 0.05 -0.04 2.79 2.62 2rliA2 ASN 210 HD21 0.29 -0.03 -0.07 -0.04 7.03 7.18 2rliA2 ASN 210 HD22 0.13 0.02 -0.07 -0.04 7.74 7.78 2rliA2 ALA 211 H -0.02 0.31 0.24 -0.55 8.40 8.38 2rliA2 ALA 211 HA -0.05 0.06 0.76 -0.75 4.34 4.35 2rliA2 ALA 211 HB3 -0.13 0.03 -0.01 -0.04 1.41 1.26 2rliA2 GLY 212 H -0.05 0.14 0.04 -0.55 8.43 8.01 2rliA2 GLY 212 HA2 -0.01 0.10 0.42 -0.51 4.01 4.00 2rliA2 GLY 212 HA3 0.02 0.06 0.42 -0.51 4.01 4.01 2rliA2 PRO 213 HA 0.02 -0.03 0.49 -0.51 4.44 4.41 2rliA2 PRO 213 HB2 -0.00 0.11 0.04 -0.04 2.28 2.38 2rliA2 PRO 213 HB3 -0.02 0.05 0.10 -0.04 2.02 2.11 2rliA2 PRO 213 HG2 -0.01 0.06 0.06 -0.04 2.03 2.10 2rliA2 PRO 213 HG3 -0.02 0.06 0.06 -0.04 2.03 2.09 2rliA2 PRO 213 HD2 -0.01 0.13 0.20 -0.04 3.68 3.95 2rliA2 PRO 213 HD3 -0.04 0.11 0.13 -0.04 3.65 3.82 2rliA2 LYS 214 H 0.03 -0.02 -0.11 -0.55 8.42 7.76 2rliA2 LYS 214 HA 0.02 0.22 0.60 -0.75 4.32 4.41 2rliA2 LYS 214 HB2 0.03 0.15 -0.16 -0.04 1.87 1.85 2rliA2 LYS 214 HB3 0.02 -0.26 0.10 -0.04 1.79 1.61 2rliA2 LYS 214 HG2 0.03 0.06 -0.07 -0.04 1.46 1.44 2rliA2 LYS 214 HG3 0.06 0.04 -0.12 -0.04 1.46 1.39 2rliA2 LYS 214 HD2 0.03 -0.04 0.03 -0.04 1.69 1.67 2rliA2 LYS 214 HD3 0.04 0.03 0.01 -0.04 1.68 1.72 2rliA2 LYS 214 HE2 0.07 -0.08 0.13 -0.04 2.99 3.06 2rliA2 LYS 214 HE3 0.04 0.11 0.10 -0.04 2.99 3.19 2rliA2 ASP 215 H 0.01 0.08 0.13 -0.55 8.40 8.07 2rliA2 ASP 215 HA 0.01 0.20 0.52 -0.75 4.63 4.60 2rliA2 ASP 215 HB2 0.01 0.04 0.03 -0.04 2.71 2.75 2rliA2 ASP 215 HB3 0.01 -0.05 0.08 -0.04 2.70 2.70 2rliA2 GLU 216 H 0.01 -0.04 0.03 -0.55 8.60 8.06 2rliA2 GLU 216 HA 0.01 0.08 0.36 -0.75 4.29 3.99 2rliA2 GLU 216 HB2 0.01 -0.02 0.13 -0.04 2.09 2.17 2rliA2 GLU 216 HB3 0.02 -0.02 0.10 -0.04 1.99 2.04 2rliA2 GLU 216 HG2 0.01 0.04 -0.12 -0.04 2.34 2.24 2rliA2 GLU 216 HG3 0.01 0.01 0.06 -0.04 2.34 2.38 2rliA2 ASP 217 H 0.02 -0.01 -0.45 -0.55 8.40 7.41 2rliA2 ASP 217 HA 0.01 0.15 0.23 -0.75 4.63 4.27 2rliA2 ASP 217 HB2 0.01 0.03 -0.16 -0.04 2.71 2.56 2rliA2 ASP 217 HB3 0.02 -0.06 0.05 -0.04 2.70 2.66 2rliA2 GLN 218 H 0.02 0.29 0.14 -0.55 8.47 8.37 2rliA2 GLN 218 HA 0.02 0.34 0.26 -0.75 4.36 4.23 2rliA2 GLN 218 HB2 0.01 0.11 -0.17 -0.04 2.15 2.06 2rliA2 GLN 218 HB3 0.02 0.04 0.08 -0.04 2.02 2.11 2rliA2 GLN 218 HG2 0.00 0.03 0.11 -0.04 2.40 2.50 2rliA2 GLN 218 HG3 0.01 -0.12 0.20 -0.04 2.39 2.44 2rliA2 GLN 218 HE21 0.01 0.26 0.12 -0.04 6.97 7.32 2rliA2 GLN 218 HE22 0.00 -0.06 0.07 -0.04 7.69 7.66 2rliA2 ASP 219 H 0.03 0.35 0.24 -0.55 8.40 8.46 2rliA2 ASP 219 HA 0.10 0.16 0.54 -0.75 4.63 4.68 2rliA2 ASP 219 HB2 0.08 -0.19 0.00 -0.04 2.71 2.57 2rliA2 ASP 219 HB3 0.12 0.10 -0.00 -0.04 2.70 2.87 2rliA2 TYR 220 H 0.40 0.11 0.10 -0.55 8.29 8.36 2rliA2 TYR 220 HA 0.02 0.08 0.23 -0.75 4.56 4.13 2rliA2 TYR 220 HB2 0.03 0.05 0.03 -0.04 3.06 3.13 2rliA2 TYR 220 HB3 0.02 0.02 0.12 -0.04 2.98 3.10 2rliA2 TYR 220 HD2 0.03 0.01 0.00 -0.04 7.15 7.15 2rliA2 TYR 220 HE2 0.03 0.06 -0.18 -0.04 6.85 6.72 2rliA2 ILE 221 H -1.65 0.04 -0.07 -0.55 8.25 6.02 2rliA2 ILE 221 HA -0.24 0.11 0.54 -0.75 4.18 3.84 2rliA2 ILE 221 HB -0.04 0.23 0.01 -0.04 1.89 2.05 2rliA2 ILE 221 HG12 0.03 -0.04 0.08 -0.04 1.49 1.53 2rliA2 ILE 221 HG13 -0.03 0.01 0.02 -0.04 1.21 1.18 2rliA2 ILE 221 HG23 0.10 -0.03 -0.07 -0.04 0.93 0.88 2rliA2 ILE 221 HD13 0.13 0.02 0.05 -0.04 0.88 1.03 2rliA2 VAL 222 H -0.23 0.29 0.15 -0.55 8.24 7.90 2rliA2 VAL 222 HA -0.26 0.21 0.71 -0.75 4.13 4.04 2rliA2 VAL 222 HB -0.30 0.08 -0.05 -0.04 2.12 1.81 2rliA2 VAL 222 HG13 -0.61 -0.02 -0.12 -0.04 0.97 0.18 2rliA2 VAL 222 HG23 -0.33 -0.00 -0.17 -0.04 0.95 0.40 2rliA2 ASP 223 H 0.08 0.68 0.36 -0.55 8.40 8.96 2rliA2 ASP 223 HA 0.24 0.10 0.86 -0.75 4.63 5.08 2rliA2 ASP 223 HB2 0.32 -0.01 0.07 -0.04 2.71 3.04 2rliA2 ASP 223 HB3 0.26 0.03 0.11 -0.04 2.70 3.06 2rliA2 HIS 224 H 0.18 0.19 0.19 -0.55 8.41 8.42 2rliA2 HIS 224 HA -0.16 0.20 0.62 -0.75 4.63 4.53 2rliA2 HIS 224 HB2 0.01 0.14 0.19 -0.04 3.26 3.57 2rliA2 HIS 224 HB3 -0.15 -0.01 -0.41 -0.04 3.20 2.59 2rliA2 HIS 224 HD2 0.16 0.22 -0.03 -0.04 6.97 7.27 2rliA2 HIS 224 HE1 0.36 -0.15 0.01 -0.04 7.75 7.92 2rliA2 SER 225 H 0.21 0.68 0.29 -0.55 8.46 9.09 2rliA2 SER 225 HA 0.11 0.04 0.53 -0.75 4.49 4.42 2rliA2 SER 225 HB2 0.16 -0.09 0.27 -0.04 3.95 4.25 2rliA2 SER 225 HB3 0.22 0.08 0.32 -0.04 3.93 4.51 2rliA2 ILE 226 H -0.15 0.55 0.33 -0.55 8.25 8.43 2rliA2 ILE 226 HA 0.08 0.07 0.66 -0.75 4.18 4.23 2rliA2 ILE 226 HB 0.04 -0.11 0.25 -0.04 1.89 2.02 2rliA2 ILE 226 HG12 -0.03 0.20 0.23 -0.04 1.49 1.85 2rliA2 ILE 226 HG13 0.00 -0.04 0.16 -0.04 1.21 1.30 2rliA2 ILE 226 HG23 -0.08 0.01 0.08 -0.04 0.93 0.90 2rliA2 ILE 226 HD13 0.02 -0.01 0.10 -0.04 0.88 0.95 2rliA2 ALA 227 H 0.18 0.73 -0.33 -0.55 8.40 8.43 2rliA2 ALA 227 HA 0.03 0.14 0.97 -0.75 4.34 4.73 2rliA2 ALA 227 HB3 0.01 0.01 -0.11 -0.04 1.41 1.28 2rliA2 ILE 228 H -0.18 0.65 0.36 -0.55 8.25 8.53 2rliA2 ILE 228 HA 0.02 0.31 0.97 -0.75 4.18 4.73 2rliA2 ILE 228 HB 0.09 0.05 -0.12 -0.04 1.89 1.87 2rliA2 ILE 228 HG12 0.07 -0.01 -0.28 -0.04 1.49 1.23 2rliA2 ILE 228 HG13 0.05 -0.01 -0.21 -0.04 1.21 1.00 2rliA2 ILE 228 HG23 0.23 -0.02 -0.24 -0.04 0.93 0.86 2rliA2 ILE 228 HD13 0.06 -0.00 -0.19 -0.04 0.88 0.71 2rliA2 TYR 229 H 0.25 0.58 0.34 -0.55 8.29 8.91 2rliA2 TYR 229 HA 0.20 0.17 0.93 -0.75 4.56 5.11 2rliA2 TYR 229 HB2 0.28 -0.03 0.10 -0.04 3.06 3.37 2rliA2 TYR 229 HB3 0.21 0.06 -0.02 -0.04 2.98 3.20 2rliA2 TYR 229 HD2 0.22 0.09 -0.05 -0.04 7.15 7.37 2rliA2 TYR 229 HE2 0.04 0.04 -0.10 -0.04 6.85 6.79 2rliA2 LEU 230 H 0.19 0.57 0.41 -0.55 8.37 8.99 2rliA2 LEU 230 HA 0.06 0.27 0.88 -0.75 4.35 4.80 2rliA2 LEU 230 HB2 -0.21 -0.05 0.19 -0.04 1.64 1.52 2rliA2 LEU 230 HB3 -0.28 0.05 -0.03 -0.04 1.64 1.33 2rliA2 LEU 230 HG -1.70 0.00 -0.08 -0.04 1.64 -0.17 2rliA2 LEU 230 HD13 -0.61 0.02 -0.12 -0.04 0.93 0.18 2rliA2 LEU 230 HD23 -0.41 -0.03 -0.20 -0.04 0.89 0.20 2rliA2 LEU 231 H 0.30 0.80 0.40 -0.55 8.37 9.32 2rliA2 LEU 231 HA -0.08 0.09 0.75 -0.75 4.35 4.35 2rliA2 LEU 231 HB2 -0.06 -0.05 -0.21 -0.04 1.64 1.28 2rliA2 LEU 231 HB3 0.06 -0.01 0.06 -0.04 1.64 1.70 2rliA2 LEU 231 HG -0.36 -0.06 -0.13 -0.04 1.64 1.05 2rliA2 LEU 231 HD13 -0.05 0.04 -0.25 -0.04 0.93 0.64 2rliA2 LEU 231 HD23 -0.97 0.02 -0.35 -0.04 0.89 -0.46 2rliA2 ASN 232 H -0.16 0.60 0.24 -0.55 8.53 8.66 2rliA2 ASN 232 HA -0.86 0.16 0.54 -0.75 4.76 3.83 2rliA2 ASN 232 HB2 -0.91 0.06 0.11 -0.04 2.88 2.10 2rliA2 ASN 232 HB3 -0.36 0.06 0.06 -0.04 2.79 2.52 2rliA2 ASN 232 HD21 -0.13 0.09 -0.01 -0.04 7.03 6.93 2rliA2 ASN 232 HD22 -0.09 -0.04 0.00 -0.04 7.74 7.57 2rliA2 PRO 233 HA -0.16 0.12 0.32 -0.51 4.44 4.21 2rliA2 PRO 233 HB2 -0.12 0.07 0.03 -0.04 2.28 2.21 2rliA2 PRO 233 HB3 -0.26 0.02 -0.11 -0.04 2.02 1.64 2rliA2 PRO 233 HG2 -0.19 0.05 -0.04 -0.04 2.03 1.80 2rliA2 PRO 233 HG3 -0.62 0.06 -0.02 -0.04 2.03 1.41 2rliA2 PRO 233 HD2 -0.77 0.10 0.16 -0.04 3.68 3.13 2rliA2 PRO 233 HD3 -1.14 0.15 0.11 -0.04 3.65 2.72 2rliA2 ASP 234 H -0.18 -0.04 -0.49 -0.55 8.40 7.14 2rliA2 ASP 234 HA -0.06 0.20 0.72 -0.75 4.63 4.74 2rliA2 ASP 234 HB2 -0.05 0.05 0.03 -0.04 2.71 2.69 2rliA2 ASP 234 HB3 -0.08 -0.05 0.05 -0.04 2.70 2.58 2rliA2 GLY 235 H -0.14 0.18 -0.03 -0.55 8.43 7.90 2rliA2 GLY 235 HA2 -0.11 0.08 0.27 -0.51 4.01 3.74 2rliA2 GLY 235 HA3 -0.07 0.14 0.71 -0.51 4.01 4.29 2rliA2 LEU 236 H -0.14 -0.02 0.06 -0.55 8.37 7.73 2rliA2 LEU 236 HA -0.11 0.15 0.87 -0.75 4.35 4.51 2rliA2 LEU 236 HB2 -0.03 -0.04 0.04 -0.04 1.64 1.57 2rliA2 LEU 236 HB3 0.04 0.12 0.06 -0.04 1.64 1.81 2rliA2 LEU 236 HG -0.03 -0.02 -0.33 -0.04 1.64 1.21 2rliA2 LEU 236 HD13 0.01 0.00 -0.04 -0.04 0.93 0.87 2rliA2 LEU 236 HD23 0.02 0.04 -0.04 -0.04 0.89 0.87 2rliA2 PHE 237 H 0.16 0.11 0.16 -0.55 8.34 8.22 2rliA2 PHE 237 HA 0.16 0.23 0.86 -0.75 4.62 5.12 2rliA2 PHE 237 HB2 0.07 -0.00 0.05 -0.04 3.15 3.23 2rliA2 PHE 237 HB3 0.15 -0.03 0.16 -0.04 3.06 3.29 2rliA2 PHE 237 HD2 0.09 0.05 -0.09 -0.04 7.28 7.28 2rliA2 PHE 237 HE2 0.04 0.00 -0.09 -0.04 7.38 7.29 2rliA2 PHE 237 HZ 0.03 -0.02 -0.09 -0.04 7.32 7.20 2rliA2 THR 238 H 0.37 0.22 0.31 -0.55 8.28 8.64 2rliA2 THR 238 HA 0.21 0.13 0.47 -0.75 4.39 4.45 2rliA2 THR 238 HB 0.27 0.09 -0.01 -0.04 4.32 4.63 2rliA2 THR 238 HG23 0.34 -0.00 -0.05 -0.04 1.22 1.47 2rliA2 ASP 239 H 0.25 0.19 0.35 -0.55 8.40 8.63 2rliA2 ASP 239 HA 0.28 0.11 0.59 -0.75 4.63 4.86 2rliA2 ASP 239 HB2 0.18 0.04 -0.44 -0.04 2.71 2.44 2rliA2 ASP 239 HB3 0.16 0.04 -0.01 -0.04 2.70 2.85 2rliA2 TYR 240 H -0.04 0.22 0.23 -0.55 8.29 8.15 2rliA2 TYR 240 HA 0.00 0.19 1.06 -0.75 4.56 5.06 2rliA2 TYR 240 HB2 -0.26 0.05 0.12 -0.04 3.06 2.93 2rliA2 TYR 240 HB3 0.20 -0.03 -0.13 -0.04 2.98 2.98 2rliA2 TYR 240 HD2 0.04 -0.02 -0.08 -0.04 7.15 7.05 2rliA2 TYR 240 HE2 0.02 0.01 -0.05 -0.04 6.85 6.79 2rliA2 TYR 241 H 0.07 0.63 0.42 -0.55 8.29 8.86 2rliA2 TYR 241 HA -0.09 0.16 0.60 -0.75 4.56 4.48 2rliA2 TYR 241 HB2 -0.03 0.02 -0.32 -0.04 3.06 2.69 2rliA2 TYR 241 HB3 -0.03 -0.04 -0.05 -0.04 2.98 2.82 2rliA2 TYR 241 HD2 -0.06 0.10 0.08 -0.04 7.15 7.23 2rliA2 TYR 241 HE2 -0.05 -0.01 -0.08 -0.04 6.85 6.66 2rliA2 GLY 242 H -0.31 0.23 0.14 -0.55 8.43 7.95 2rliA2 GLY 242 HA2 0.00 -0.05 0.27 -0.51 4.01 3.72 2rliA2 GLY 242 HA3 0.01 0.20 0.97 -0.51 4.01 4.69 2rliA2 ARG 243 H -0.00 0.62 0.30 -0.55 8.46 8.82 2rliA2 ARG 243 HA -0.01 -0.01 0.39 -0.75 4.34 3.95 2rliA2 ARG 243 HB2 -0.02 -0.05 -0.25 -0.04 1.90 1.54 2rliA2 ARG 243 HB3 -0.08 0.16 0.10 -0.04 1.80 1.94 2rliA2 ARG 243 HG2 -0.03 0.02 0.12 -0.04 1.67 1.74 2rliA2 ARG 243 HG3 -0.01 -0.04 0.05 -0.04 1.67 1.62 2rliA2 ARG 243 HD2 0.01 -0.01 -0.04 -0.04 3.22 3.13 2rliA2 ARG 243 HD3 -0.03 0.03 0.02 -0.04 3.22 3.20 2rliA2 SER 244 H -0.01 -0.03 -0.06 -0.55 8.46 7.82 2rliA2 SER 244 HA 0.00 -0.10 0.35 -0.75 4.49 3.99 2rliA2 SER 244 HB2 -0.01 0.20 0.01 -0.04 3.95 4.11 2rliA2 SER 244 HB3 0.00 0.03 0.04 -0.04 3.93 3.95 2rliA2 ARG 245 H -0.00 0.04 0.05 -0.55 8.46 8.00 2rliA2 ARG 245 HA -0.03 0.24 0.73 -0.75 4.34 4.52 2rliA2 ARG 245 HB2 0.02 -0.06 -0.07 -0.04 1.90 1.75 2rliA2 ARG 245 HB3 0.03 -0.13 0.08 -0.04 1.80 1.75 2rliA2 ARG 245 HG2 -0.14 -0.01 -0.62 -0.04 1.67 0.87 2rliA2 ARG 245 HG3 -0.25 -0.07 -0.11 -0.04 1.67 1.21 2rliA2 ARG 245 HD2 -0.36 -0.03 -0.04 -0.04 3.22 2.76 2rliA2 ARG 245 HD3 -0.09 -0.09 0.02 -0.04 3.22 3.02 2rliA2 SER 246 H 0.03 0.27 0.17 -0.55 8.46 8.39 2rliA2 SER 246 HA 0.02 0.19 0.73 -0.75 4.49 4.67 2rliA2 SER 246 HB2 0.01 0.20 -0.03 -0.04 3.95 4.08 2rliA2 SER 246 HB3 0.01 0.02 -0.07 -0.04 3.93 3.85 2rliA2 ALA 247 H 0.01 0.26 0.14 -0.55 8.40 8.27 2rliA2 ALA 247 HA 0.02 0.11 0.35 -0.75 4.34 4.06 2rliA2 ALA 247 HB3 0.01 0.06 0.13 -0.04 1.41 1.56 2rliA2 GLU 248 H 0.01 0.08 -0.29 -0.55 8.60 7.86 2rliA2 GLU 248 HA 0.00 0.15 0.38 -0.75 4.29 4.07 2rliA2 GLU 248 HB2 0.01 -0.02 0.08 -0.04 2.09 2.11 2rliA2 GLU 248 HB3 0.01 0.04 -0.01 -0.04 1.99 1.99 2rliA2 GLU 248 HG2 0.00 0.03 0.01 -0.04 2.34 2.34 2rliA2 GLU 248 HG3 0.00 0.03 0.05 -0.04 2.34 2.38 2rliA2 GLN 249 H 0.03 0.21 -0.18 -0.55 8.47 8.00 2rliA2 GLN 249 HA 0.06 0.11 0.69 -0.75 4.36 4.47 2rliA2 GLN 249 HB2 0.04 0.01 0.11 -0.04 2.15 2.26 2rliA2 GLN 249 HB3 0.07 -0.12 0.15 -0.04 2.02 2.08 2rliA2 GLN 249 HG2 0.11 0.02 0.02 -0.04 2.40 2.52 2rliA2 GLN 249 HG3 0.16 -0.02 0.15 -0.04 2.39 2.64 2rliA2 GLN 249 HE21 0.03 -0.02 0.02 -0.04 6.97 6.96 2rliA2 GLN 249 HE22 0.01 0.04 0.01 -0.04 7.69 7.71 2rliA2 ILE 250 H 0.05 0.33 -0.27 -0.55 8.25 7.80 2rliA2 ILE 250 HA -0.02 0.05 0.65 -0.75 4.18 4.11 2rliA2 ILE 250 HB -0.00 0.20 0.12 -0.04 1.89 2.17 2rliA2 ILE 250 HG12 0.05 0.04 -0.15 -0.04 1.49 1.39 2rliA2 ILE 250 HG13 0.02 0.01 -0.15 -0.04 1.21 1.05 2rliA2 ILE 250 HG23 -0.04 0.01 -0.05 -0.04 0.93 0.81 2rliA2 ILE 250 HD13 0.13 -0.02 -0.13 -0.04 0.88 0.82 2rliA2 SER 251 H -0.01 0.30 -0.17 -0.55 8.46 8.04 2rliA2 SER 251 HA -0.05 0.06 0.46 -0.75 4.49 4.21 2rliA2 SER 251 HB2 -0.02 0.02 0.09 -0.04 3.95 4.00 2rliA2 SER 251 HB3 -0.01 0.13 0.21 -0.04 3.93 4.22 2rliA2 ASP 252 H -0.01 0.24 -0.19 -0.55 8.40 7.89 2rliA2 ASP 252 HA -0.04 0.05 0.35 -0.75 4.63 4.24 2rliA2 ASP 252 HB2 0.07 0.12 0.13 -0.04 2.71 2.99 2rliA2 ASP 252 HB3 0.02 0.00 0.03 -0.04 2.70 2.70 2rliA2 SER 253 H -0.16 0.28 -0.44 -0.55 8.46 7.58 2rliA2 SER 253 HA -0.49 0.06 0.58 -0.75 4.49 3.89 2rliA2 SER 253 HB2 -1.18 0.08 0.18 -0.04 3.95 2.98 2rliA2 SER 253 HB3 -0.50 0.04 0.13 -0.04 3.93 3.56 2rliA2 VAL 254 H -0.19 0.75 0.09 -0.55 8.24 8.33 2rliA2 VAL 254 HA -0.09 -0.03 0.12 -0.75 4.13 3.38 2rliA2 VAL 254 HB -0.09 0.06 0.03 -0.04 2.12 2.08 2rliA2 VAL 254 HG13 -0.12 0.02 -0.08 -0.04 0.97 0.75 2rliA2 VAL 254 HG23 -0.13 0.00 -0.04 -0.04 0.95 0.74 2rliA2 ARG 255 H -0.12 0.49 -0.26 -0.55 8.46 8.02 2rliA2 ARG 255 HA -0.03 0.07 0.51 -0.75 4.34 4.13 2rliA2 ARG 255 HB2 -0.04 0.02 0.09 -0.04 1.90 1.92 2rliA2 ARG 255 HB3 -0.07 0.06 0.04 -0.04 1.80 1.79 2rliA2 ARG 255 HG2 -0.02 -0.03 -0.02 -0.04 1.67 1.55 2rliA2 ARG 255 HG3 -0.02 -0.02 -0.07 -0.04 1.67 1.52 2rliA2 ARG 255 HD2 0.00 -0.03 0.10 -0.04 3.22 3.25 2rliA2 ARG 255 HD3 -0.01 0.02 0.01 -0.04 3.22 3.20 2rliA2 ARG 256 H -0.23 0.36 -0.34 -0.55 8.46 7.70 2rliA2 ARG 256 HA -0.09 0.03 0.53 -0.75 4.34 4.06 2rliA2 ARG 256 HB2 -0.52 0.14 0.23 -0.04 1.90 1.71 2rliA2 ARG 256 HB3 -0.20 -0.06 0.06 -0.04 1.80 1.55 2rliA2 ARG 256 HG2 -0.09 -0.07 0.06 -0.04 1.67 1.52 2rliA2 ARG 256 HG3 -0.14 0.12 0.13 -0.04 1.67 1.73 2rliA2 ARG 256 HD2 -0.23 0.00 0.14 -0.04 3.22 3.08 2rliA2 ARG 256 HD3 -0.11 -0.08 0.04 -0.04 3.22 3.04 2rliA2 HIS 257 H -0.58 0.46 -0.02 -0.55 8.41 7.72 2rliA2 HIS 257 HA 0.05 -0.00 0.22 -0.75 4.63 4.14 2rliA2 HIS 257 HB2 -0.48 0.08 0.03 -0.04 3.26 2.84 2rliA2 HIS 257 HB3 -1.00 -0.02 -0.00 -0.04 3.20 2.13 2rliA2 HIS 257 HD2 -0.41 -0.06 -0.36 -0.04 6.97 6.10 2rliA2 HIS 257 HE1 -0.10 -0.03 -0.11 -0.04 7.75 7.47 2rliA2 MET 258 H 0.03 0.50 -0.32 -0.55 8.47 8.13 2rliA2 MET 258 HA 0.38 0.03 0.58 -0.75 4.52 4.74 2rliA2 MET 258 HB2 0.09 0.04 0.12 -0.04 2.15 2.36 2rliA2 MET 258 HB3 0.05 0.07 0.21 -0.04 2.03 2.32 2rliA2 MET 258 HG2 0.09 -0.00 -0.19 -0.04 2.63 2.48 2rliA2 MET 258 HG3 0.15 -0.01 0.01 -0.04 2.56 2.67 2rliA2 MET 258 HE3 0.05 0.02 -0.03 -0.04 2.10 2.09 2rliA2 ALA 259 H 0.07 0.51 0.00 -0.55 8.40 8.44 2rliA2 ALA 259 HA 0.07 0.08 0.39 -0.75 4.34 4.12 2rliA2 ALA 259 HB3 0.03 -0.00 0.15 -0.04 1.41 1.54 2rliA2 ALA 260 H 0.16 0.51 -0.26 -0.55 8.40 8.27 2rliA2 ALA 260 HA 0.12 0.04 0.51 -0.75 4.34 4.26 2rliA2 ALA 260 HB3 0.22 -0.02 -0.00 -0.04 1.41 1.56 2rliA2 PHE 261 H 0.46 0.33 -0.23 -0.55 8.34 8.35 2rliA2 PHE 261 HA 0.04 0.02 0.63 -0.75 4.62 4.56 2rliA2 PHE 261 HB2 0.30 -0.02 0.16 -0.04 3.15 3.56 2rliA2 PHE 261 HB3 0.34 0.19 0.29 -0.04 3.06 3.84 2rliA2 PHE 261 HD2 -0.01 0.05 0.08 -0.04 7.28 7.36 2rliA2 PHE 261 HE2 -0.10 0.01 0.01 -0.04 7.38 7.26 2rliA2 PHE 261 HZ -0.12 0.01 -0.01 -0.04 7.32 7.16 2rliA2 ARG 262 H 0.13 0.59 0.03 -0.55 8.46 8.66 2rliA2 ARG 262 HA -0.04 0.16 0.30 -0.75 4.34 4.01 2rliA2 ARG 262 HB2 0.02 0.16 -0.47 -0.04 1.90 1.56 2rliA2 ARG 262 HB3 -0.06 -0.04 -0.17 -0.04 1.80 1.49 2rliA2 ARG 262 HG2 -0.04 -0.16 0.04 -0.04 1.67 1.48 2rliA2 ARG 262 HG3 0.00 0.14 0.15 -0.04 1.67 1.92 2rliA2 ARG 262 HD2 0.01 0.11 0.03 -0.04 3.22 3.33 2rliA2 ARG 262 HD3 -0.01 -0.08 -0.03 -0.04 3.22 3.06 2rliA2 SER 263 H -0.88 0.20 -0.66 -0.55 8.46 6.57 2rliA2 SER 263 HA -0.32 -0.03 0.41 -0.75 4.49 3.79 2rliA2 SER 263 HB2 -0.98 0.03 0.07 -0.04 3.95 3.03 2rliA2 SER 263 HB3 -1.21 -0.00 0.08 -0.04 3.93 2.76 2rliA2 VAL 264 H -0.13 0.11 0.25 -0.55 8.24 7.92 2rliA2 VAL 264 HA -0.06 -0.03 0.32 -0.75 4.13 3.61 2rliA2 VAL 264 HB -0.03 -0.03 0.21 -0.04 2.12 2.23 2rliA2 VAL 264 HG13 -0.05 -0.02 0.01 -0.04 0.97 0.87 2rliA2 VAL 264 HG23 -0.03 0.01 -0.08 -0.04 0.95 0.81 2rliA2 LEU 265 H -0.08 0.55 -0.56 -0.55 8.37 7.73 2rliA2 LEU 265 HA -0.01 0.11 0.74 -0.75 4.35 4.44 2rliA2 LEU 265 HB2 -0.03 -0.08 -0.17 -0.04 1.64 1.31 2rliA2 LEU 265 HB3 0.02 -0.05 -0.04 -0.04 1.64 1.53 2rliA2 LEU 265 HG -0.01 0.15 -0.39 -0.04 1.64 1.35 2rliA2 LEU 265 HD13 0.08 -0.03 -0.05 -0.04 0.93 0.90 2rliA2 LEU 265 HD23 0.02 0.01 -0.00 -0.04 0.89 0.88 2rliA2 SER 266 H -0.01 0.34 -0.10 -0.55 8.46 8.14 2rliA2 SER 266 HA -0.00 0.12 0.20 -0.75 4.49 4.05 2rliA2 SER 266 HB2 -0.01 0.21 -0.11 -0.04 3.95 4.00 2rliA2 SER 266 HB3 -0.01 -0.04 -0.05 -0.04 3.93 3.79