============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 4 1.040 10.470 -4.058 -3.974 -99.200 -91.000 TRP6 4 1.020 10.287 -5.705 -5.681 -99.200 -91.000 HIS 7 0.900 22.473 -0.959 -3.621 -99.200 -91.000 TYR 8 0.840 19.212 -4.960 -11.805 -99.200 -91.000 TYR 11 0.840 16.946 1.761 -20.818 -99.200 -91.000 TYR 16 0.840 15.936 -2.445 -30.142 -99.200 -91.000 TYR 27 0.840 29.566 2.572 -28.596 -99.200 -91.000 PHE 33 1.000 21.375 2.929 -17.962 -99.200 -91.000 TRP 36 1.040 23.008 10.180 -15.880 -99.200 -91.000 TRP6 36 1.020 23.258 12.048 -14.457 -99.200 -91.000 PHE 44 1.000 21.173 3.977 -13.145 -99.200 -91.000 PHE 58 1.000 11.708 5.581 -29.107 -99.200 -91.000 HIS 63 0.900 2.917 11.296 -24.836 -99.200 -91.000 PHE 66 1.000 4.755 15.501 -17.891 -99.200 -91.000 HIS 67 0.900 -1.910 19.515 -18.853 -99.200 -91.000 PHE 69 1.000 6.648 14.490 -25.465 -99.200 -91.000 HIS 78 0.900 7.193 12.712 -20.849 -99.200 -91.000 PHE 80 1.000 5.652 11.859 -14.727 -99.200 -91.000 HIS 91 0.900 5.968 7.919 -22.242 -99.200 -91.000 PHE 92 1.000 13.285 8.768 -25.035 -99.200 -91.000 PHE 97 1.000 13.210 12.887 -40.237 -99.200 -91.000 TRP 98 1.040 13.714 10.138 -32.123 -99.200 -91.000 TRP6 98 1.020 14.127 11.471 -30.232 -99.200 -91.000 HIS 101 0.900 27.902 5.482 -35.451 -99.200 -91.000 PHE 108 1.000 25.658 11.077 -24.750 -99.200 -91.000 HIS 113 0.900 17.033 16.386 -19.994 -99.200 -91.000 HIS 117 0.900 14.451 15.153 -15.680 -99.200 -91.000 HIS 123 0.900 15.650 20.234 -16.190 -99.200 -91.000 PHE 132 1.000 21.035 23.260 -21.548 -99.200 -91.000 TYR 135 0.840 17.590 19.174 -28.254 -99.200 -91.000 TYR 137 0.840 20.928 21.595 -33.689 -99.200 -91.000 PHE 143 1.000 25.322 14.860 -22.296 -99.200 -91.000 TYR 157 0.840 19.845 8.916 -4.784 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2z2dA15 GLY 106 HA2 0.01 -0.02 0.21 -0.51 4.01 3.69 2z2dA15 GLY 106 HA3 -0.01 -0.06 0.18 -0.51 4.01 3.62 2z2dA15 PRO 107 HA -0.02 0.06 0.61 -0.51 4.44 4.58 2z2dA15 PRO 107 HB2 0.30 -0.01 -0.09 -0.04 2.28 2.44 2z2dA15 PRO 107 HB3 0.14 0.01 0.08 -0.04 2.02 2.21 2z2dA15 PRO 107 HG2 0.11 -0.00 0.07 -0.04 2.03 2.17 2z2dA15 PRO 107 HG3 0.09 0.00 0.06 -0.04 2.03 2.14 2z2dA15 PRO 107 HD2 0.04 0.05 0.19 -0.04 3.68 3.92 2z2dA15 PRO 107 HD3 0.04 0.16 0.14 -0.04 3.65 3.95 2z2dA15 VAL 108 H -0.22 0.20 0.17 -0.55 8.24 7.84 2z2dA15 VAL 108 HA -0.03 0.11 0.93 -0.75 4.13 4.39 2z2dA15 VAL 108 HB -0.21 -0.02 0.12 -0.04 2.12 1.97 2z2dA15 VAL 108 HG13 -0.19 -0.00 -0.12 -0.04 0.97 0.61 2z2dA15 VAL 108 HG23 -0.12 0.03 -0.16 -0.04 0.95 0.65 2z2dA15 TRP 109 H 0.16 0.15 0.15 -0.55 7.97 7.89 2z2dA15 TRP 109 HA -0.01 0.20 0.88 -0.75 4.62 4.93 2z2dA15 TRP 109 HB2 -0.02 -0.00 -0.06 -0.04 3.23 3.11 2z2dA15 TRP 109 HB3 -0.00 -0.00 0.05 -0.04 3.23 3.23 2z2dA15 TRP 109 HD1 -0.02 0.00 -0.30 -0.04 7.22 6.86 2z2dA15 TRP 109 HE1 -0.02 -0.02 -0.07 -0.04 10.20 10.04 2z2dA15 TRP 109 HE3 0.01 0.01 0.08 -0.04 7.59 7.65 2z2dA15 TRP 109 HZ2 -0.01 -0.03 -0.01 -0.04 7.44 7.35 2z2dA15 TRP 109 HZ3 0.00 -0.02 0.02 -0.04 7.13 7.09 2z2dA15 TRP 109 HH2 -0.01 -0.03 0.00 -0.04 7.19 7.11 2z2dA15 ARG 110 H 0.07 0.09 0.18 -0.55 8.46 8.24 2z2dA15 ARG 110 HA 0.06 0.19 0.80 -0.75 4.34 4.64 2z2dA15 ARG 110 HB2 -0.02 0.02 0.04 -0.04 1.90 1.90 2z2dA15 ARG 110 HB3 0.06 0.02 -0.01 -0.04 1.80 1.82 2z2dA15 ARG 110 HG2 0.05 -0.10 0.03 -0.04 1.67 1.61 2z2dA15 ARG 110 HG3 -0.01 0.01 -0.12 -0.04 1.67 1.51 2z2dA15 ARG 110 HD2 -0.03 0.02 -0.07 -0.04 3.22 3.09 2z2dA15 ARG 110 HD3 -0.02 0.05 -0.05 -0.04 3.22 3.17 2z2dA15 LYS 111 H -0.06 0.11 0.02 -0.55 8.42 7.92 2z2dA15 LYS 111 HA -0.18 0.07 0.22 -0.75 4.32 3.67 2z2dA15 LYS 111 HB2 -0.09 0.16 -0.03 -0.04 1.87 1.88 2z2dA15 LYS 111 HB3 -0.05 -0.04 0.12 -0.04 1.79 1.78 2z2dA15 LYS 111 HG2 -0.27 0.01 -0.07 -0.04 1.46 1.09 2z2dA15 LYS 111 HG3 -0.56 0.08 0.01 -0.04 1.46 0.94 2z2dA15 LYS 111 HD2 -0.25 -0.00 0.03 -0.04 1.69 1.43 2z2dA15 LYS 111 HD3 -0.16 -0.13 -0.17 -0.04 1.68 1.18 2z2dA15 LYS 111 HE2 -0.22 -0.03 -0.04 -0.04 2.99 2.67 2z2dA15 LYS 111 HE3 -1.17 0.04 -0.02 -0.04 2.99 1.80 2z2dA15 HIS 112 H -0.03 0.17 0.07 -0.55 8.41 8.07 2z2dA15 HIS 112 HA -0.10 0.08 0.55 -0.75 4.63 4.41 2z2dA15 HIS 112 HB2 -0.06 0.16 -0.45 -0.04 3.26 2.87 2z2dA15 HIS 112 HB3 -0.03 -0.02 0.11 -0.04 3.20 3.21 2z2dA15 HIS 112 HD2 -0.04 -0.04 -0.01 -0.04 6.97 6.84 2z2dA15 HIS 112 HE1 -0.01 -0.01 0.03 -0.04 7.75 7.71 2z2dA15 TYR 113 H 0.14 0.51 0.24 -0.55 8.29 8.63 2z2dA15 TYR 113 HA -0.14 0.18 0.74 -0.75 4.56 4.59 2z2dA15 TYR 113 HB2 -0.05 -0.04 -0.07 -0.04 3.06 2.86 2z2dA15 TYR 113 HB3 -0.04 0.02 0.10 -0.04 2.98 3.01 2z2dA15 TYR 113 HD2 -0.03 0.01 -0.18 -0.04 7.15 6.90 2z2dA15 TYR 113 HE2 -0.01 -0.04 -0.15 -0.04 6.85 6.61 2z2dA15 ILE 114 H -0.43 0.51 0.17 -0.55 8.25 7.94 2z2dA15 ILE 114 HA -0.01 0.19 0.85 -0.75 4.18 4.45 2z2dA15 ILE 114 HB 0.00 -0.02 0.02 -0.04 1.89 1.85 2z2dA15 ILE 114 HG12 -0.13 0.02 -0.43 -0.04 1.49 0.91 2z2dA15 ILE 114 HG13 -0.45 0.10 -0.24 -0.04 1.21 0.58 2z2dA15 ILE 114 HG23 0.22 0.00 -0.13 -0.04 0.93 0.99 2z2dA15 ILE 114 HD13 0.05 0.00 -0.08 -0.04 0.88 0.82 2z2dA15 THR 115 H 0.08 0.16 0.25 -0.55 8.28 8.22 2z2dA15 THR 115 HA -0.02 0.51 1.11 -0.75 4.39 5.23 2z2dA15 THR 115 HB 0.11 -0.25 0.17 -0.04 4.32 4.32 2z2dA15 THR 115 HG23 0.14 0.04 0.02 -0.04 1.22 1.38 2z2dA15 TYR 116 H 0.10 0.55 0.43 -0.55 8.29 8.83 2z2dA15 TYR 116 HA 0.11 0.25 0.79 -0.75 4.56 4.95 2z2dA15 TYR 116 HB2 0.19 0.09 0.07 -0.04 3.06 3.38 2z2dA15 TYR 116 HB3 0.29 -0.03 -0.21 -0.04 2.98 2.99 2z2dA15 TYR 116 HD2 0.29 0.10 -0.13 -0.04 7.15 7.37 2z2dA15 TYR 116 HE2 0.24 -0.02 -0.29 -0.04 6.85 6.73 2z2dA15 ARG 117 H 0.13 0.58 0.32 -0.55 8.46 8.94 2z2dA15 ARG 117 HA -0.50 0.14 0.87 -0.75 4.34 4.09 2z2dA15 ARG 117 HB2 -0.10 0.27 0.04 -0.04 1.90 2.07 2z2dA15 ARG 117 HB3 -0.04 -0.11 -0.13 -0.04 1.80 1.47 2z2dA15 ARG 117 HG2 -0.04 -0.13 -0.29 -0.04 1.67 1.16 2z2dA15 ARG 117 HG3 -0.06 0.19 -0.20 -0.04 1.67 1.55 2z2dA15 ARG 117 HD2 -0.03 0.02 -0.13 -0.04 3.22 3.04 2z2dA15 ARG 117 HD3 -0.02 -0.13 -0.08 -0.04 3.22 2.94 2z2dA15 ILE 118 H -0.14 0.19 0.11 -0.55 8.25 7.86 2z2dA15 ILE 118 HA 0.21 0.06 0.74 -0.75 4.18 4.44 2z2dA15 ILE 118 HB 0.16 -0.01 0.02 -0.04 1.89 2.03 2z2dA15 ILE 118 HG12 0.54 0.04 -0.08 -0.04 1.49 1.95 2z2dA15 ILE 118 HG13 0.34 -0.02 -0.10 -0.04 1.21 1.39 2z2dA15 ILE 118 HG23 0.36 -0.04 -0.33 -0.04 0.93 0.88 2z2dA15 ILE 118 HD13 0.36 -0.02 -0.02 -0.04 0.88 1.16 2z2dA15 ASN 119 H -0.27 0.11 0.18 -0.55 8.53 8.00 2z2dA15 ASN 119 HA -0.36 0.12 0.30 -0.75 4.76 4.07 2z2dA15 ASN 119 HB2 -1.42 -0.01 0.00 -0.04 2.88 1.41 2z2dA15 ASN 119 HB3 -2.43 -0.18 0.21 -0.04 2.79 0.36 2z2dA15 ASN 119 HD21 -0.70 -0.08 -0.01 -0.04 7.03 6.20 2z2dA15 ASN 119 HD22 -0.28 0.06 0.02 -0.04 7.74 7.50 2z2dA15 ASN 120 H -0.23 0.12 0.09 -0.55 8.53 7.96 2z2dA15 ASN 120 HA -0.48 0.24 0.52 -0.75 4.76 4.28 2z2dA15 ASN 120 HB2 -0.18 -0.02 -0.22 -0.04 2.88 2.42 2z2dA15 ASN 120 HB3 -0.07 -0.12 0.05 -0.04 2.79 2.61 2z2dA15 ASN 120 HD21 -0.22 0.36 0.08 -0.04 7.03 7.21 2z2dA15 ASN 120 HD22 -0.18 -0.02 0.08 -0.04 7.74 7.58 2z2dA15 TYR 121 H -0.36 0.21 -0.03 -0.55 8.29 7.56 2z2dA15 TYR 121 HA 0.10 -0.10 0.42 -0.75 4.56 4.23 2z2dA15 TYR 121 HB2 0.06 -0.17 -0.26 -0.04 3.06 2.65 2z2dA15 TYR 121 HB3 0.09 0.09 -0.14 -0.04 2.98 2.98 2z2dA15 TYR 121 HD2 0.05 0.08 -0.19 -0.04 7.15 7.05 2z2dA15 TYR 121 HE2 0.01 0.07 -0.08 -0.04 6.85 6.81 2z2dA15 THR 122 H 0.09 -0.13 0.20 -0.55 8.28 7.89 2z2dA15 THR 122 HA 0.08 0.03 0.45 -0.75 4.39 4.20 2z2dA15 THR 122 HB 0.04 0.04 0.22 -0.04 4.32 4.58 2z2dA15 THR 122 HG23 -0.08 -0.01 -0.23 -0.04 1.22 0.86 2z2dA15 PRO 123 HA 0.02 0.16 0.39 -0.51 4.44 4.49 2z2dA15 PRO 123 HB2 0.03 0.09 0.02 -0.04 2.28 2.38 2z2dA15 PRO 123 HB3 0.02 0.09 0.11 -0.04 2.02 2.20 2z2dA15 PRO 123 HG2 0.08 -0.16 0.16 -0.04 2.03 2.07 2z2dA15 PRO 123 HG3 0.03 0.14 0.09 -0.04 2.03 2.24 2z2dA15 PRO 123 HD2 0.03 -0.12 0.26 -0.04 3.68 3.81 2z2dA15 PRO 123 HD3 0.00 0.22 0.15 -0.04 3.65 3.98 2z2dA15 ASP 124 H 0.06 -0.01 0.11 -0.55 8.40 8.02 2z2dA15 ASP 124 HA -0.01 0.27 0.80 -0.75 4.63 4.94 2z2dA15 ASP 124 HB2 0.00 0.03 0.13 -0.04 2.71 2.84 2z2dA15 ASP 124 HB3 -0.01 0.07 -0.07 -0.04 2.70 2.65 2z2dA15 MET 125 H 0.09 -0.13 0.03 -0.55 8.47 7.91 2z2dA15 MET 125 HA 0.07 0.21 0.89 -0.75 4.52 4.94 2z2dA15 MET 125 HB2 0.20 -0.13 -0.06 -0.04 2.15 2.12 2z2dA15 MET 125 HB3 0.20 0.13 0.02 -0.04 2.03 2.33 2z2dA15 MET 125 HG2 -0.20 0.11 -0.20 -0.04 2.63 2.30 2z2dA15 MET 125 HG3 -0.18 -0.01 -0.11 -0.04 2.56 2.22 2z2dA15 MET 125 HE3 -1.57 -0.00 -0.09 -0.04 2.10 0.40 2z2dA15 ASN 126 H 0.10 0.17 0.08 -0.55 8.53 8.33 2z2dA15 ASN 126 HA 0.11 0.24 0.72 -0.75 4.76 5.08 2z2dA15 ASN 126 HB2 0.08 0.04 0.08 -0.04 2.88 3.04 2z2dA15 ASN 126 HB3 0.07 -0.33 -0.11 -0.04 2.79 2.38 2z2dA15 ASN 126 HD21 0.06 -0.02 -0.34 -0.04 7.03 6.69 2z2dA15 ASN 126 HD22 0.04 0.12 -0.08 -0.04 7.74 7.77 2z2dA15 ARG 127 H 0.11 0.33 0.11 -0.55 8.46 8.46 2z2dA15 ARG 127 HA -0.14 0.13 0.17 -0.75 4.34 3.75 2z2dA15 ARG 127 HB2 -0.03 -0.01 0.11 -0.04 1.90 1.93 2z2dA15 ARG 127 HB3 -0.28 0.08 0.06 -0.04 1.80 1.63 2z2dA15 ARG 127 HG2 0.28 0.10 0.10 -0.04 1.67 2.11 2z2dA15 ARG 127 HG3 0.29 0.12 0.10 -0.04 1.67 2.14 2z2dA15 ARG 127 HD2 0.11 0.12 0.10 -0.04 3.22 3.51 2z2dA15 ARG 127 HD3 0.07 -0.18 0.15 -0.04 3.22 3.23 2z2dA15 GLU 128 H 0.02 0.16 0.07 -0.55 8.60 8.31 2z2dA15 GLU 128 HA 0.05 0.14 0.39 -0.75 4.29 4.11 2z2dA15 GLU 128 HB2 0.01 -0.01 0.11 -0.04 2.09 2.15 2z2dA15 GLU 128 HB3 0.01 0.06 -0.08 -0.04 1.99 1.94 2z2dA15 GLU 128 HG2 0.04 0.04 0.04 -0.04 2.34 2.42 2z2dA15 GLU 128 HG3 0.02 0.01 0.03 -0.04 2.34 2.35 2z2dA15 ASP 129 H 0.07 0.02 -0.43 -0.55 8.40 7.51 2z2dA15 ASP 129 HA 0.16 0.13 0.42 -0.75 4.63 4.59 2z2dA15 ASP 129 HB2 0.12 0.09 -0.02 -0.04 2.71 2.86 2z2dA15 ASP 129 HB3 0.10 0.01 0.02 -0.04 2.70 2.79 2z2dA15 VAL 130 H 0.09 0.64 -0.17 -0.55 8.24 8.25 2z2dA15 VAL 130 HA 0.10 -0.06 0.46 -0.75 4.13 3.87 2z2dA15 VAL 130 HB 0.08 0.15 0.16 -0.04 2.12 2.48 2z2dA15 VAL 130 HG13 0.16 0.01 -0.18 -0.04 0.97 0.91 2z2dA15 VAL 130 HG23 0.12 -0.07 0.01 -0.04 0.95 0.98 2z2dA15 ASP 131 H 0.04 0.79 -0.01 -0.55 8.40 8.67 2z2dA15 ASP 131 HA 0.08 0.04 0.36 -0.75 4.63 4.35 2z2dA15 ASP 131 HB2 0.04 0.07 0.16 -0.04 2.71 2.94 2z2dA15 ASP 131 HB3 0.05 0.01 -0.04 -0.04 2.70 2.67 2z2dA15 TYR 132 H 0.22 0.40 -0.34 -0.55 8.29 8.01 2z2dA15 TYR 132 HA 0.05 0.07 0.43 -0.75 4.56 4.36 2z2dA15 TYR 132 HB2 0.06 0.29 0.19 -0.04 3.06 3.56 2z2dA15 TYR 132 HB3 0.05 -0.03 0.02 -0.04 2.98 2.98 2z2dA15 TYR 132 HD2 0.01 -0.01 -0.03 -0.04 7.15 7.08 2z2dA15 TYR 132 HE2 0.01 0.01 -0.01 -0.04 6.85 6.82 2z2dA15 ALA 133 H 0.18 0.38 -0.28 -0.55 8.40 8.13 2z2dA15 ALA 133 HA 0.22 0.03 0.46 -0.75 4.34 4.30 2z2dA15 ALA 133 HB3 0.14 -0.00 0.04 -0.04 1.41 1.54 2z2dA15 ILE 134 H 0.09 0.71 -0.06 -0.55 8.25 8.43 2z2dA15 ILE 134 HA -0.15 0.04 0.37 -0.75 4.18 3.69 2z2dA15 ILE 134 HB -0.01 0.01 -0.05 -0.04 1.89 1.80 2z2dA15 ILE 134 HG12 0.13 0.12 0.18 -0.04 1.49 1.89 2z2dA15 ILE 134 HG13 0.18 0.11 -0.08 -0.04 1.21 1.38 2z2dA15 ILE 134 HG23 0.07 -0.04 -0.06 -0.04 0.93 0.86 2z2dA15 ILE 134 HD13 0.32 -0.02 -0.10 -0.04 0.88 1.04 2z2dA15 ARG 135 H 0.07 0.50 -0.28 -0.55 8.46 8.19 2z2dA15 ARG 135 HA 0.19 0.04 0.39 -0.75 4.34 4.21 2z2dA15 ARG 135 HB2 0.00 0.16 0.14 -0.04 1.90 2.16 2z2dA15 ARG 135 HB3 -0.15 0.04 0.16 -0.04 1.80 1.81 2z2dA15 ARG 135 HG2 -0.01 -0.02 -0.07 -0.04 1.67 1.53 2z2dA15 ARG 135 HG3 0.01 -0.01 0.02 -0.04 1.67 1.65 2z2dA15 ARG 135 HD2 -0.12 -0.02 -0.03 -0.04 3.22 3.02 2z2dA15 ARG 135 HD3 -0.38 -0.02 -0.01 -0.04 3.22 2.77 2z2dA15 LYS 136 H 0.02 0.50 -0.15 -0.55 8.42 8.23 2z2dA15 LYS 136 HA 0.01 0.04 0.43 -0.75 4.32 4.05 2z2dA15 LYS 136 HB2 -0.02 0.03 0.15 -0.04 1.87 1.99 2z2dA15 LYS 136 HB3 0.19 0.06 0.14 -0.04 1.79 2.13 2z2dA15 LYS 136 HG2 0.01 -0.01 -0.05 -0.04 1.46 1.38 2z2dA15 LYS 136 HG3 0.06 -0.02 0.04 -0.04 1.46 1.51 2z2dA15 LYS 136 HD2 -0.05 0.04 0.00 -0.04 1.69 1.64 2z2dA15 LYS 136 HD3 -0.03 -0.00 0.03 -0.04 1.68 1.63 2z2dA15 LYS 136 HE2 0.03 -0.00 0.00 -0.04 2.99 2.98 2z2dA15 LYS 136 HE3 -0.25 -0.05 -0.01 -0.04 2.99 2.63 2z2dA15 ALA 137 H 0.03 0.34 -0.36 -0.55 8.40 7.86 2z2dA15 ALA 137 HA -0.13 0.05 0.43 -0.75 4.34 3.93 2z2dA15 ALA 137 HB3 -0.31 0.05 0.03 -0.04 1.41 1.14 2z2dA15 PHE 138 H 0.00 0.55 -0.17 -0.55 8.34 8.18 2z2dA15 PHE 138 HA -0.05 0.07 0.40 -0.75 4.62 4.29 2z2dA15 PHE 138 HB2 0.02 0.12 0.16 -0.04 3.15 3.42 2z2dA15 PHE 138 HB3 0.07 -0.01 -0.03 -0.04 3.06 3.05 2z2dA15 PHE 138 HD2 -0.30 0.01 -0.09 -0.04 7.28 6.86 2z2dA15 PHE 138 HE2 -0.30 -0.01 -0.16 -0.04 7.38 6.87 2z2dA15 PHE 138 HZ -0.04 -0.02 -0.19 -0.04 7.32 7.04 2z2dA15 GLN 139 H 0.15 0.40 -0.30 -0.55 8.47 8.17 2z2dA15 GLN 139 HA 0.14 0.05 0.49 -0.75 4.36 4.28 2z2dA15 GLN 139 HB2 0.06 -0.04 0.09 -0.04 2.15 2.22 2z2dA15 GLN 139 HB3 0.06 0.12 0.16 -0.04 2.02 2.32 2z2dA15 GLN 139 HG2 0.04 0.20 0.05 -0.04 2.40 2.65 2z2dA15 GLN 139 HG3 0.04 -0.04 -0.26 -0.04 2.39 2.08 2z2dA15 GLN 139 HE21 0.02 0.00 -0.02 -0.04 6.97 6.93 2z2dA15 GLN 139 HE22 -0.00 -0.05 -0.01 -0.04 7.69 7.59 2z2dA15 VAL 140 H 0.04 0.41 -0.19 -0.55 8.24 7.95 2z2dA15 VAL 140 HA -0.02 0.05 0.43 -0.75 4.13 3.84 2z2dA15 VAL 140 HB -0.04 -0.01 0.10 -0.04 2.12 2.13 2z2dA15 VAL 140 HG13 -0.30 0.03 0.13 -0.04 0.97 0.80 2z2dA15 VAL 140 HG23 -0.31 -0.02 -0.08 -0.04 0.95 0.50 2z2dA15 TRP 141 H 0.17 0.37 -0.25 -0.55 7.97 7.71 2z2dA15 TRP 141 HA 0.08 0.09 0.52 -0.75 4.62 4.56 2z2dA15 TRP 141 HB2 -0.08 0.04 0.10 -0.04 3.23 3.24 2z2dA15 TRP 141 HB3 0.02 0.04 -0.08 -0.04 3.23 3.17 2z2dA15 TRP 141 HD1 -0.27 -0.06 -0.11 -0.04 7.22 6.74 2z2dA15 TRP 141 HE1 -0.11 0.32 0.07 -0.04 10.20 10.43 2z2dA15 TRP 141 HE3 0.08 0.07 0.02 -0.04 7.59 7.72 2z2dA15 TRP 141 HZ2 -0.05 -0.02 -0.11 -0.04 7.44 7.23 2z2dA15 TRP 141 HZ3 0.04 -0.01 -0.04 -0.04 7.13 7.08 2z2dA15 TRP 141 HH2 -0.01 -0.09 -0.12 -0.04 7.19 6.94 2z2dA15 SER 142 H 0.35 0.52 -0.10 -0.55 8.46 8.68 2z2dA15 SER 142 HA 0.40 0.23 0.61 -0.75 4.49 4.98 2z2dA15 SER 142 HB2 0.22 -0.07 0.22 -0.04 3.95 4.28 2z2dA15 SER 142 HB3 0.20 -0.06 0.06 -0.04 3.93 4.09 2z2dA15 ASN 143 H 0.16 0.59 0.03 -0.55 8.53 8.76 2z2dA15 ASN 143 HA 0.09 0.01 0.43 -0.75 4.76 4.53 2z2dA15 ASN 143 HB2 0.05 -0.11 0.12 -0.04 2.88 2.90 2z2dA15 ASN 143 HB3 0.07 0.04 0.19 -0.04 2.79 3.05 2z2dA15 ASN 143 HD21 0.01 -0.05 -0.06 -0.04 7.03 6.88 2z2dA15 ASN 143 HD22 0.02 -0.08 -0.04 -0.04 7.74 7.60 2z2dA15 VAL 144 H 0.19 0.09 -1.15 -0.55 8.24 6.81 2z2dA15 VAL 144 HA 0.10 0.09 0.74 -0.75 4.13 4.31 2z2dA15 VAL 144 HB 0.12 -0.13 0.09 -0.04 2.12 2.17 2z2dA15 VAL 144 HG13 0.02 -0.04 -0.15 -0.04 0.97 0.75 2z2dA15 VAL 144 HG23 0.30 -0.01 -0.01 -0.04 0.95 1.18 2z2dA15 THR 145 H 0.19 0.61 -0.12 -0.55 8.28 8.41 2z2dA15 THR 145 HA 0.17 0.13 0.93 -0.75 4.39 4.87 2z2dA15 THR 145 HB 0.26 -0.04 0.09 -0.04 4.32 4.58 2z2dA15 THR 145 HG23 0.36 -0.07 -0.19 -0.04 1.22 1.28 2z2dA15 PRO 146 HA 0.02 0.10 0.30 -0.51 4.44 4.35 2z2dA15 PRO 146 HB2 0.04 -0.05 0.23 -0.04 2.28 2.45 2z2dA15 PRO 146 HB3 0.05 -0.04 0.12 -0.04 2.02 2.11 2z2dA15 PRO 146 HG2 0.17 0.11 0.18 -0.04 2.03 2.45 2z2dA15 PRO 146 HG3 0.11 0.01 0.21 -0.04 2.03 2.33 2z2dA15 PRO 146 HD2 0.21 0.14 0.28 -0.04 3.68 4.27 2z2dA15 PRO 146 HD3 0.13 0.12 0.27 -0.04 3.65 4.12 2z2dA15 LEU 147 H 0.04 0.20 -0.84 -0.55 8.37 7.23 2z2dA15 LEU 147 HA -0.19 0.06 1.03 -0.75 4.35 4.49 2z2dA15 LEU 147 HB2 -0.37 0.04 0.05 -0.04 1.64 1.32 2z2dA15 LEU 147 HB3 -0.26 -0.25 0.05 -0.04 1.64 1.14 2z2dA15 LEU 147 HG 0.09 0.02 -0.04 -0.04 1.64 1.68 2z2dA15 LEU 147 HD13 -0.24 0.03 0.02 -0.04 0.93 0.69 2z2dA15 LEU 147 HD23 0.02 0.04 -0.17 -0.04 0.89 0.74 2z2dA15 LYS 148 H -0.24 0.46 0.32 -0.55 8.42 8.40 2z2dA15 LYS 148 HA -0.08 0.05 0.85 -0.75 4.32 4.38 2z2dA15 LYS 148 HB2 -0.11 0.06 0.15 -0.04 1.87 1.92 2z2dA15 LYS 148 HB3 -0.09 -0.04 0.04 -0.04 1.79 1.65 2z2dA15 LYS 148 HG2 -0.03 -0.05 0.03 -0.04 1.46 1.37 2z2dA15 LYS 148 HG3 -0.00 -0.05 0.09 -0.04 1.46 1.46 2z2dA15 LYS 148 HD2 0.00 0.10 -0.14 -0.04 1.69 1.61 2z2dA15 LYS 148 HD3 -0.08 0.02 -0.09 -0.04 1.68 1.49 2z2dA15 LYS 148 HE2 -0.01 -0.05 -0.04 -0.04 2.99 2.85 2z2dA15 LYS 148 HE3 0.02 -0.08 -0.03 -0.04 2.99 2.86 2z2dA15 PHE 149 H -0.01 0.17 0.20 -0.55 8.34 8.14 2z2dA15 PHE 149 HA -0.36 0.08 1.01 -0.75 4.62 4.60 2z2dA15 PHE 149 HB2 -1.34 -0.06 -0.09 -0.04 3.15 1.61 2z2dA15 PHE 149 HB3 -0.66 -0.03 -0.08 -0.04 3.06 2.26 2z2dA15 PHE 149 HD2 0.08 -0.08 -0.10 -0.04 7.28 7.14 2z2dA15 PHE 149 HE2 0.10 0.05 -0.15 -0.04 7.38 7.35 2z2dA15 PHE 149 HZ 0.02 0.06 -0.08 -0.04 7.32 7.27 2z2dA15 SER 150 H -0.33 0.83 0.28 -0.55 8.46 8.70 2z2dA15 SER 150 HA -0.20 0.06 0.91 -0.75 4.49 4.50 2z2dA15 SER 150 HB2 -0.78 0.05 -0.02 -0.04 3.95 3.16 2z2dA15 SER 150 HB3 -0.04 -0.02 -0.03 -0.04 3.93 3.80 2z2dA15 LYS 151 H -0.03 0.17 0.19 -0.55 8.42 8.20 2z2dA15 LYS 151 HA -0.07 0.27 1.17 -0.75 4.32 4.93 2z2dA15 LYS 151 HB2 -0.05 -0.01 -0.02 -0.04 1.87 1.75 2z2dA15 LYS 151 HB3 0.10 -0.04 0.09 -0.04 1.79 1.90 2z2dA15 LYS 151 HG2 -0.06 -0.07 -0.33 -0.04 1.46 0.95 2z2dA15 LYS 151 HG3 -0.28 0.17 -0.06 -0.04 1.46 1.25 2z2dA15 LYS 151 HD2 0.11 -0.01 -0.10 -0.04 1.69 1.65 2z2dA15 LYS 151 HD3 -0.01 -0.04 -0.09 -0.04 1.68 1.50 2z2dA15 LYS 151 HE2 -0.64 0.01 -0.00 -0.04 2.99 2.31 2z2dA15 LYS 151 HE3 -0.05 -0.03 -0.08 -0.04 2.99 2.79 2z2dA15 ILE 152 H -0.10 0.57 0.33 -0.55 8.25 8.49 2z2dA15 ILE 152 HA -0.00 0.14 0.92 -0.75 4.18 4.49 2z2dA15 ILE 152 HB 0.02 -0.15 0.05 -0.04 1.89 1.77 2z2dA15 ILE 152 HG12 0.03 0.04 -0.09 -0.04 1.49 1.43 2z2dA15 ILE 152 HG13 -0.01 -0.01 -0.20 -0.04 1.21 0.94 2z2dA15 ILE 152 HG23 0.07 0.02 -0.25 -0.04 0.93 0.74 2z2dA15 ILE 152 HD13 0.04 -0.01 -0.24 -0.04 0.88 0.63 2z2dA15 ASN 153 H 0.01 0.17 0.16 -0.55 8.53 8.32 2z2dA15 ASN 153 HA 0.01 0.21 0.71 -0.75 4.76 4.94 2z2dA15 ASN 153 HB2 0.03 0.01 0.01 -0.04 2.88 2.88 2z2dA15 ASN 153 HB3 0.05 0.04 0.08 -0.04 2.79 2.92 2z2dA15 ASN 153 HD21 0.10 0.01 -0.02 -0.04 7.03 7.09 2z2dA15 ASN 153 HD22 0.03 -0.01 -0.05 -0.04 7.74 7.66 2z2dA15 THR 154 H 0.01 -0.03 0.05 -0.55 8.28 7.77 2z2dA15 THR 154 HA 0.01 0.05 0.30 -0.75 4.39 4.00 2z2dA15 THR 154 HB 0.02 -0.01 0.11 -0.04 4.32 4.40 2z2dA15 THR 154 HG23 0.02 0.03 -0.04 -0.04 1.22 1.19 2z2dA15 GLY 155 H 0.01 0.07 -0.20 -0.55 8.43 7.77 2z2dA15 GLY 155 HA2 -0.00 -0.03 0.17 -0.51 4.01 3.64 2z2dA15 GLY 155 HA3 0.00 0.19 0.58 -0.51 4.01 4.27 2z2dA15 MET 156 H 0.01 0.09 -0.03 -0.55 8.47 7.99 2z2dA15 MET 156 HA 0.02 0.00 0.34 -0.75 4.52 4.13 2z2dA15 MET 156 HB2 0.02 -0.01 -0.40 -0.04 2.15 1.72 2z2dA15 MET 156 HB3 0.04 0.06 0.33 -0.04 2.03 2.42 2z2dA15 MET 156 HG2 0.02 0.04 -0.03 -0.04 2.63 2.62 2z2dA15 MET 156 HG3 0.01 -0.03 -0.00 -0.04 2.56 2.49 2z2dA15 MET 156 HE3 0.01 0.00 -0.02 -0.04 2.10 2.05 2z2dA15 ALA 157 H 0.05 0.23 0.03 -0.55 8.40 8.16 2z2dA15 ALA 157 HA 0.09 0.19 0.50 -0.75 4.34 4.37 2z2dA15 ALA 157 HB3 0.07 0.03 -0.53 -0.04 1.41 0.95 2z2dA15 ASP 158 H 0.12 0.00 0.20 -0.55 8.40 8.18 2z2dA15 ASP 158 HA 0.09 0.08 0.28 -0.75 4.63 4.33 2z2dA15 ASP 158 HB2 0.15 0.04 0.30 -0.04 2.71 3.16 2z2dA15 ASP 158 HB3 0.11 0.08 0.09 -0.04 2.70 2.95 2z2dA15 ILE 159 H 0.20 0.68 0.26 -0.55 8.25 8.84 2z2dA15 ILE 159 HA 0.13 0.16 0.83 -0.75 4.18 4.54 2z2dA15 ILE 159 HB 0.20 -0.11 -0.01 -0.04 1.89 1.92 2z2dA15 ILE 159 HG12 0.19 0.04 -0.07 -0.04 1.49 1.61 2z2dA15 ILE 159 HG13 0.31 0.01 -0.04 -0.04 1.21 1.45 2z2dA15 ILE 159 HG23 0.11 0.06 -0.05 -0.04 0.93 1.00 2z2dA15 ILE 159 HD13 0.19 -0.00 -0.10 -0.04 0.88 0.93 2z2dA15 LEU 160 H 0.11 0.24 0.10 -0.55 8.37 8.27 2z2dA15 LEU 160 HA 0.12 0.07 0.91 -0.75 4.35 4.69 2z2dA15 LEU 160 HB2 0.09 0.08 0.13 -0.04 1.64 1.90 2z2dA15 LEU 160 HB3 0.08 -0.01 -0.06 -0.04 1.64 1.61 2z2dA15 LEU 160 HG 0.02 0.02 -0.03 -0.04 1.64 1.61 2z2dA15 LEU 160 HD13 0.05 -0.02 -0.18 -0.04 0.93 0.74 2z2dA15 LEU 160 HD23 0.04 -0.01 0.01 -0.04 0.89 0.88 2z2dA15 VAL 161 H 0.08 0.60 0.32 -0.55 8.24 8.69 2z2dA15 VAL 161 HA -0.13 0.48 1.06 -0.75 4.13 4.79 2z2dA15 VAL 161 HB 0.13 0.07 0.38 -0.04 2.12 2.66 2z2dA15 VAL 161 HG13 -0.55 -0.06 -0.12 -0.04 0.97 0.20 2z2dA15 VAL 161 HG23 0.27 0.02 -0.13 -0.04 0.95 1.07 2z2dA15 VAL 162 H -0.09 0.62 0.43 -0.55 8.24 8.64 2z2dA15 VAL 162 HA -0.49 0.09 0.98 -0.75 4.13 3.96 2z2dA15 VAL 162 HB -0.30 -0.01 -0.02 -0.04 2.12 1.75 2z2dA15 VAL 162 HG13 -0.20 0.00 -0.06 -0.04 0.97 0.67 2z2dA15 VAL 162 HG23 -0.02 0.04 -0.30 -0.04 0.95 0.62 2z2dA15 PHE 163 H -0.55 0.17 0.17 -0.55 8.34 7.57 2z2dA15 PHE 163 HA -0.07 0.26 0.91 -0.75 4.62 4.96 2z2dA15 PHE 163 HB2 -0.03 0.00 0.15 -0.04 3.15 3.23 2z2dA15 PHE 163 HB3 0.07 0.04 -0.02 -0.04 3.06 3.11 2z2dA15 PHE 163 HD2 -0.28 -0.00 -0.14 -0.04 7.28 6.81 2z2dA15 PHE 163 HE2 -0.29 0.02 -0.09 -0.04 7.38 6.98 2z2dA15 PHE 163 HZ -0.07 0.06 -0.00 -0.04 7.32 7.27 2z2dA15 ALA 164 H 0.15 0.53 0.33 -0.55 8.40 8.86 2z2dA15 ALA 164 HA 0.05 0.19 0.76 -0.75 4.34 4.59 2z2dA15 ALA 164 HB3 -0.16 0.04 -0.13 -0.04 1.41 1.12 2z2dA15 ARG 165 H 0.07 0.33 0.08 -0.55 8.46 8.39 2z2dA15 ARG 165 HA 0.05 -0.04 0.88 -0.75 4.34 4.48 2z2dA15 ARG 165 HB2 0.07 0.07 0.06 -0.04 1.90 2.06 2z2dA15 ARG 165 HB3 0.06 -0.08 0.04 -0.04 1.80 1.77 2z2dA15 ARG 165 HG2 0.09 0.12 -0.04 -0.04 1.67 1.79 2z2dA15 ARG 165 HG3 0.06 0.08 -0.03 -0.04 1.67 1.74 2z2dA15 ARG 165 HD2 0.07 -0.05 -0.11 -0.04 3.22 3.09 2z2dA15 ARG 165 HD3 0.07 -0.06 0.03 -0.04 3.22 3.22 2z2dA15 GLY 166 H 0.11 0.02 -0.01 -0.55 8.43 8.01 2z2dA15 GLY 166 HA2 0.34 -0.20 0.25 -0.51 4.01 3.89 2z2dA15 GLY 166 HA3 0.16 0.19 0.13 -0.51 4.01 3.98 2z2dA15 ALA 167 H 0.34 -0.13 0.16 -0.55 8.40 8.22 2z2dA15 ALA 167 HA 0.15 -0.06 0.40 -0.75 4.34 4.07 2z2dA15 ALA 167 HB3 0.10 0.03 0.04 -0.04 1.41 1.53 2z2dA15 HIS 168 H 0.10 -0.02 0.13 -0.55 8.41 8.07 2z2dA15 HIS 168 HA 0.05 0.21 0.75 -0.75 4.63 4.88 2z2dA15 HIS 168 HB2 0.02 -0.00 -0.04 -0.04 3.26 3.21 2z2dA15 HIS 168 HB3 0.11 0.13 -0.20 -0.04 3.20 3.20 2z2dA15 HIS 168 HD2 -0.06 0.02 -0.20 -0.04 6.97 6.69 2z2dA15 HIS 168 HE1 -0.48 0.07 -0.18 -0.04 7.75 7.11 2z2dA15 GLY 169 H -1.22 0.23 0.21 -0.55 8.43 7.11 2z2dA15 GLY 169 HA2 -0.17 0.11 0.30 -0.51 4.01 3.75 2z2dA15 GLY 169 HA3 -0.17 0.11 0.41 -0.51 4.01 3.85 2z2dA15 ASP 170 H -0.11 0.18 0.07 -0.55 8.40 8.00 2z2dA15 ASP 170 HA -0.15 0.04 0.38 -0.75 4.63 4.15 2z2dA15 ASP 170 HB2 -0.24 0.07 0.23 -0.04 2.71 2.73 2z2dA15 ASP 170 HB3 -0.74 0.03 0.02 -0.04 2.70 1.97 2z2dA15 PHE 171 H -0.23 0.57 0.26 -0.55 8.34 8.39 2z2dA15 PHE 171 HA -0.31 0.20 0.80 -0.75 4.62 4.56 2z2dA15 PHE 171 HB2 -0.36 0.16 0.03 -0.04 3.15 2.94 2z2dA15 PHE 171 HB3 -0.36 -0.11 0.13 -0.04 3.06 2.68 2z2dA15 PHE 171 HD2 -0.69 0.02 -0.00 -0.04 7.28 6.56 2z2dA15 PHE 171 HE2 -0.96 0.01 -0.09 -0.04 7.38 6.29 2z2dA15 PHE 171 HZ -1.02 0.03 -0.09 -0.04 7.32 6.20 2z2dA15 HIS 172 H -0.19 0.17 0.07 -0.55 8.41 7.92 2z2dA15 HIS 172 HA 0.02 0.10 0.44 -0.75 4.63 4.43 2z2dA15 HIS 172 HB2 0.04 0.01 0.20 -0.04 3.26 3.47 2z2dA15 HIS 172 HB3 0.03 0.02 0.13 -0.04 3.20 3.34 2z2dA15 HIS 172 HD2 0.01 0.03 -0.11 -0.04 6.97 6.85 2z2dA15 HIS 172 HE1 0.03 0.01 0.01 -0.04 7.75 7.76 2z2dA15 ALA 173 H 0.04 0.70 -0.17 -0.55 8.40 8.42 2z2dA15 ALA 173 HA 0.16 -0.21 0.36 -0.75 4.34 3.90 2z2dA15 ALA 173 HB3 0.14 0.08 0.09 -0.04 1.41 1.68 2z2dA15 PHE 174 H 0.29 0.17 0.19 -0.55 8.34 8.44 2z2dA15 PHE 174 HA 0.15 0.29 0.37 -0.75 4.62 4.68 2z2dA15 PHE 174 HB2 0.19 -0.02 -0.30 -0.04 3.15 2.97 2z2dA15 PHE 174 HB3 0.09 -0.16 -0.03 -0.04 3.06 2.92 2z2dA15 PHE 174 HD2 -0.09 0.00 -0.16 -0.04 7.28 6.98 2z2dA15 PHE 174 HE2 0.09 0.04 -0.29 -0.04 7.38 7.18 2z2dA15 PHE 174 HZ 0.15 0.04 0.05 -0.04 7.32 7.52 2z2dA15 ASP 175 H 0.17 0.08 0.08 -0.55 8.40 8.19 2z2dA15 ASP 175 HA 0.09 0.25 0.81 -0.75 4.63 5.02 2z2dA15 ASP 175 HB2 0.02 0.01 0.01 -0.04 2.71 2.71 2z2dA15 ASP 175 HB3 -0.02 0.10 0.10 -0.04 2.70 2.83 2z2dA15 GLY 176 H -0.13 0.06 -0.02 -0.55 8.43 7.79 2z2dA15 GLY 176 HA2 -0.06 -0.14 0.38 -0.51 4.01 3.68 2z2dA15 GLY 176 HA3 -0.00 0.22 0.67 -0.51 4.01 4.39 2z2dA15 LYS 177 H -0.13 -0.03 -0.03 -0.55 8.42 7.67 2z2dA15 LYS 177 HA -0.14 -0.04 0.25 -0.75 4.32 3.64 2z2dA15 LYS 177 HB2 -0.06 0.07 -0.40 -0.04 1.87 1.45 2z2dA15 LYS 177 HB3 -0.08 0.04 0.23 -0.04 1.79 1.94 2z2dA15 LYS 177 HG2 -0.09 0.02 -0.02 -0.04 1.46 1.33 2z2dA15 LYS 177 HG3 -0.11 -0.04 -0.03 -0.04 1.46 1.24 2z2dA15 LYS 177 HD2 -0.04 -0.14 -0.13 -0.04 1.69 1.35 2z2dA15 LYS 177 HD3 -0.04 0.03 -0.06 -0.04 1.68 1.56 2z2dA15 LYS 177 HE2 -0.10 -0.04 -0.01 -0.04 2.99 2.80 2z2dA15 LYS 177 HE3 -0.01 0.30 0.03 -0.04 2.99 3.27 2z2dA15 GLY 178 H -0.23 0.03 0.01 -0.55 8.43 7.69 2z2dA15 GLY 178 HA2 -0.24 0.01 0.16 -0.51 4.01 3.43 2z2dA15 GLY 178 HA3 -0.14 0.14 0.64 -0.51 4.01 4.14 2z2dA15 GLY 179 H -0.11 0.18 0.07 -0.55 8.43 8.03 2z2dA15 GLY 179 HA2 -0.08 0.08 0.33 -0.51 4.01 3.83 2z2dA15 GLY 179 HA3 -0.07 0.04 -0.00 -0.51 4.01 3.46 2z2dA15 ILE 180 H -0.06 0.08 -0.03 -0.55 8.25 7.69 2z2dA15 ILE 180 HA -0.05 0.16 0.37 -0.75 4.18 3.91 2z2dA15 ILE 180 HB 0.14 -0.19 0.20 -0.04 1.89 1.99 2z2dA15 ILE 180 HG12 0.02 -0.05 0.01 -0.04 1.49 1.44 2z2dA15 ILE 180 HG13 0.13 -0.04 -0.05 -0.04 1.21 1.21 2z2dA15 ILE 180 HG23 0.25 0.07 -0.00 -0.04 0.93 1.21 2z2dA15 ILE 180 HD13 0.05 0.03 -0.06 -0.04 0.88 0.87 2z2dA15 LEU 181 H -0.27 0.74 0.38 -0.55 8.37 8.66 2z2dA15 LEU 181 HA -0.36 -0.05 0.31 -0.75 4.35 3.49 2z2dA15 LEU 181 HB2 -0.76 0.10 0.14 -0.04 1.64 1.08 2z2dA15 LEU 181 HB3 -0.21 0.04 -0.00 -0.04 1.64 1.44 2z2dA15 LEU 181 HG -0.44 -0.06 0.07 -0.04 1.64 1.16 2z2dA15 LEU 181 HD13 -0.98 -0.02 -0.01 -0.04 0.93 -0.12 2z2dA15 LEU 181 HD23 0.20 -0.01 -0.07 -0.04 0.89 0.97 2z2dA15 ALA 182 H -0.02 0.21 -0.45 -0.55 8.40 7.59 2z2dA15 ALA 182 HA 0.08 -0.00 0.49 -0.75 4.34 4.15 2z2dA15 ALA 182 HB3 0.26 0.03 0.07 -0.04 1.41 1.72 2z2dA15 HIS 183 H 0.41 0.72 0.38 -0.55 8.41 9.37 2z2dA15 HIS 183 HA 0.08 0.14 0.69 -0.75 4.63 4.79 2z2dA15 HIS 183 HB2 -0.20 0.03 0.09 -0.04 3.26 3.15 2z2dA15 HIS 183 HB3 0.14 -0.04 -0.21 -0.04 3.20 3.05 2z2dA15 HIS 183 HD2 -1.04 -0.03 -0.04 -0.04 6.97 5.81 2z2dA15 HIS 183 HE1 -0.19 0.16 -0.07 -0.04 7.75 7.61 2z2dA15 ALA 184 H 0.18 0.28 0.16 -0.55 8.40 8.47 2z2dA15 ALA 184 HA 0.15 0.10 0.89 -0.75 4.34 4.73 2z2dA15 ALA 184 HB3 0.25 0.06 -0.02 -0.04 1.41 1.65 2z2dA15 PHE 185 H 0.23 0.42 -0.21 -0.55 8.34 8.23 2z2dA15 PHE 185 HA 0.06 0.09 0.81 -0.75 4.62 4.82 2z2dA15 PHE 185 HB2 0.03 0.34 0.03 -0.04 3.15 3.51 2z2dA15 PHE 185 HB3 0.00 -0.18 -0.05 -0.04 3.06 2.80 2z2dA15 PHE 185 HD2 -0.04 0.04 0.02 -0.04 7.28 7.26 2z2dA15 PHE 185 HE2 -0.25 -0.02 -0.01 -0.04 7.38 7.07 2z2dA15 PHE 185 HZ -0.57 0.05 -0.03 -0.04 7.32 6.73 2z2dA15 GLY 186 H 0.19 0.12 0.06 -0.55 8.43 8.25 2z2dA15 GLY 186 HA2 0.12 0.15 0.62 -0.51 4.01 4.39 2z2dA15 GLY 186 HA3 0.10 0.20 0.14 -0.51 4.01 3.94 2z2dA15 PRO 187 HA 0.03 0.12 0.33 -0.51 4.44 4.42 2z2dA15 PRO 187 HB2 -0.10 0.03 -0.12 -0.04 2.28 2.06 2z2dA15 PRO 187 HB3 -0.08 0.02 0.01 -0.04 2.02 1.93 2z2dA15 PRO 187 HG2 -0.14 -0.17 0.05 -0.04 2.03 1.74 2z2dA15 PRO 187 HG3 -0.48 0.05 -0.08 -0.04 2.03 1.48 2z2dA15 PRO 187 HD2 0.07 0.15 -0.29 -0.04 3.68 3.58 2z2dA15 PRO 187 HD3 0.24 -0.02 -0.10 -0.04 3.65 3.72 2z2dA15 GLY 188 H -0.01 -0.05 0.04 -0.55 8.43 7.86 2z2dA15 GLY 188 HA2 0.02 0.11 0.17 -0.51 4.01 3.80 2z2dA15 GLY 188 HA3 0.02 0.25 0.84 -0.51 4.01 4.61 2z2dA15 SER 189 H -0.04 -0.04 0.09 -0.55 8.46 7.93 2z2dA15 SER 189 HA -0.03 0.23 0.75 -0.75 4.49 4.69 2z2dA15 SER 189 HB2 -0.06 0.09 -0.39 -0.04 3.95 3.54 2z2dA15 SER 189 HB3 -0.10 -0.11 0.01 -0.04 3.93 3.69 2z2dA15 GLY 190 H -0.08 0.13 0.10 -0.55 8.43 8.04 2z2dA15 GLY 190 HA2 -0.06 0.15 0.30 -0.51 4.01 3.89 2z2dA15 GLY 190 HA3 -0.08 -0.04 0.43 -0.51 4.01 3.81 2z2dA15 ILE 191 H -0.11 0.07 0.11 -0.55 8.25 7.78 2z2dA15 ILE 191 HA -0.04 0.12 0.24 -0.75 4.18 3.75 2z2dA15 ILE 191 HB -0.15 0.02 0.11 -0.04 1.89 1.83 2z2dA15 ILE 191 HG12 -0.23 0.02 0.05 -0.04 1.49 1.29 2z2dA15 ILE 191 HG13 -0.25 -0.14 0.04 -0.04 1.21 0.83 2z2dA15 ILE 191 HG23 -0.07 0.01 0.07 -0.04 0.93 0.90 2z2dA15 ILE 191 HD13 -0.79 0.01 -0.11 -0.04 0.88 -0.06 2z2dA15 GLY 192 H -0.12 -0.16 -1.04 -0.55 8.43 6.56 2z2dA15 GLY 192 HA2 -0.08 -0.12 0.20 -0.51 4.01 3.50 2z2dA15 GLY 192 HA3 -0.03 -0.20 0.30 -0.51 4.01 3.57 2z2dA15 GLY 193 H 0.15 0.24 0.18 -0.55 8.43 8.46 2z2dA15 GLY 193 HA2 0.13 0.08 0.48 -0.51 4.01 4.20 2z2dA15 GLY 193 HA3 0.11 0.16 0.75 -0.51 4.01 4.52 2z2dA15 ASP 194 H 0.10 0.61 -0.10 -0.55 8.40 8.46 2z2dA15 ASP 194 HA 0.07 -0.09 0.64 -0.75 4.63 4.50 2z2dA15 ASP 194 HB2 0.15 -0.10 0.23 -0.04 2.71 2.95 2z2dA15 ASP 194 HB3 0.10 -0.06 0.13 -0.04 2.70 2.83 2z2dA15 ALA 195 H 0.01 0.40 0.48 -0.55 8.40 8.74 2z2dA15 ALA 195 HA -0.18 0.07 1.16 -0.75 4.34 4.64 2z2dA15 ALA 195 HB3 0.19 0.06 0.18 -0.04 1.41 1.80 2z2dA15 HIS 196 H -0.50 0.66 0.41 -0.55 8.41 8.43 2z2dA15 HIS 196 HA -0.29 0.07 1.10 -0.75 4.63 4.76 2z2dA15 HIS 196 HB2 0.00 -0.10 0.05 -0.04 3.26 3.18 2z2dA15 HIS 196 HB3 0.04 0.06 0.11 -0.04 3.20 3.38 2z2dA15 HIS 196 HD2 -0.07 -0.03 0.01 -0.04 6.97 6.83 2z2dA15 HIS 196 HE1 0.15 -0.04 -0.16 -0.04 7.75 7.65 2z2dA15 PHE 197 H -0.03 0.30 0.19 -0.55 8.34 8.25 2z2dA15 PHE 197 HA 0.17 0.12 1.14 -0.75 4.62 5.30 2z2dA15 PHE 197 HB2 -0.39 -0.03 -0.07 -0.04 3.15 2.61 2z2dA15 PHE 197 HB3 -0.04 0.08 0.09 -0.04 3.06 3.15 2z2dA15 PHE 197 HD2 -0.37 0.04 -0.42 -0.04 7.28 6.48 2z2dA15 PHE 197 HE2 0.03 0.03 -0.17 -0.04 7.38 7.23 2z2dA15 PHE 197 HZ 0.01 0.06 -0.13 -0.04 7.32 7.22 2z2dA15 ASP 198 H 0.20 0.54 0.33 -0.55 8.40 8.92 2z2dA15 ASP 198 HA -0.11 0.28 0.61 -0.75 4.63 4.66 2z2dA15 ASP 198 HB2 -0.20 0.22 0.28 -0.04 2.71 2.97 2z2dA15 ASP 198 HB3 -0.17 -0.30 0.10 -0.04 2.70 2.29 2z2dA15 GLU 199 H 0.15 0.72 0.27 -0.55 8.60 9.19 2z2dA15 GLU 199 HA 0.44 0.10 0.32 -0.75 4.29 4.40 2z2dA15 GLU 199 HB2 0.27 -0.09 -0.44 -0.04 2.09 1.78 2z2dA15 GLU 199 HB3 0.14 -0.04 -0.27 -0.04 1.99 1.78 2z2dA15 GLU 199 HG2 0.17 0.09 -0.07 -0.04 2.34 2.48 2z2dA15 GLU 199 HG3 0.14 0.02 -0.12 -0.04 2.34 2.35 2z2dA15 ASP 200 H 0.05 -0.02 -0.23 -0.55 8.40 7.66 2z2dA15 ASP 200 HA 0.06 0.23 0.55 -0.75 4.63 4.72 2z2dA15 ASP 200 HB2 0.01 -0.12 0.12 -0.04 2.71 2.68 2z2dA15 ASP 200 HB3 -0.02 -0.08 -0.00 -0.04 2.70 2.56 2z2dA15 GLU 201 H -0.11 -0.04 -0.49 -0.55 8.60 7.41 2z2dA15 GLU 201 HA -0.17 0.03 0.23 -0.75 4.29 3.63 2z2dA15 GLU 201 HB2 -0.84 0.34 0.09 -0.04 2.09 1.64 2z2dA15 GLU 201 HB3 -1.04 -0.05 -0.01 -0.04 1.99 0.85 2z2dA15 GLU 201 HG2 -0.58 0.16 0.09 -0.04 2.34 1.97 2z2dA15 GLU 201 HG3 -0.38 -0.05 0.10 -0.04 2.34 1.98 2z2dA15 PHE 202 H -0.23 0.06 0.04 -0.55 8.34 7.66 2z2dA15 PHE 202 HA -0.15 0.27 0.86 -0.75 4.62 4.85 2z2dA15 PHE 202 HB2 -0.16 -0.07 0.15 -0.04 3.15 3.04 2z2dA15 PHE 202 HB3 -0.10 -0.02 0.16 -0.04 3.06 3.06 2z2dA15 PHE 202 HD2 -0.07 0.01 -0.20 -0.04 7.28 6.98 2z2dA15 PHE 202 HE2 -0.02 0.02 -0.02 -0.04 7.38 7.31 2z2dA15 PHE 202 HZ -0.01 0.00 -0.01 -0.04 7.32 7.26 2z2dA15 TRP 203 H -0.20 0.30 -0.13 -0.55 7.97 7.39 2z2dA15 TRP 203 HA -0.00 0.02 0.52 -0.75 4.62 4.40 2z2dA15 TRP 203 HB2 -0.10 0.10 0.10 -0.04 3.23 3.29 2z2dA15 TRP 203 HB3 -0.07 -0.09 -0.05 -0.04 3.23 2.99 2z2dA15 TRP 203 HD1 -0.19 0.04 -0.07 -0.04 7.22 6.96 2z2dA15 TRP 203 HE1 -0.19 0.14 -0.08 -0.04 10.20 10.03 2z2dA15 TRP 203 HE3 -0.07 -0.04 -0.23 -0.04 7.59 7.21 2z2dA15 TRP 203 HZ2 -0.04 -0.10 -0.13 -0.04 7.44 7.12 2z2dA15 TRP 203 HZ3 -0.14 -0.04 -0.10 -0.04 7.13 6.81 2z2dA15 TRP 203 HH2 -0.13 0.15 0.03 -0.04 7.19 7.20 2z2dA15 THR 204 H 0.15 0.44 0.36 -0.55 8.28 8.68 2z2dA15 THR 204 HA 0.08 0.10 0.72 -0.75 4.39 4.54 2z2dA15 THR 204 HB 0.07 -0.31 -0.15 -0.04 4.32 3.89 2z2dA15 THR 204 HG23 0.07 -0.03 0.10 -0.04 1.22 1.32 2z2dA15 THR 205 H 0.08 0.32 0.07 -0.55 8.28 8.21 2z2dA15 THR 205 HA 0.10 0.05 0.91 -0.75 4.39 4.69 2z2dA15 THR 205 HB 0.10 -0.06 0.06 -0.04 4.32 4.38 2z2dA15 THR 205 HG23 0.10 0.03 -0.09 -0.04 1.22 1.22 2z2dA15 HIS 206 H 0.06 0.14 0.10 -0.55 8.41 8.16 2z2dA15 HIS 206 HA -0.01 0.03 0.22 -0.75 4.63 4.11 2z2dA15 HIS 206 HB2 -0.01 -0.12 -0.46 -0.04 3.26 2.63 2z2dA15 HIS 206 HB3 -0.01 0.12 0.16 -0.04 3.20 3.42 2z2dA15 HIS 206 HD2 -0.04 0.05 0.04 -0.04 6.97 6.97 2z2dA15 HIS 206 HE1 -0.24 0.02 -0.03 -0.04 7.75 7.46 2z2dA15 SER 207 H 0.04 -0.01 -0.36 -0.55 8.46 7.58 2z2dA15 SER 207 HA 0.04 0.24 0.88 -0.75 4.49 4.89 2z2dA15 SER 207 HB2 0.05 0.13 -0.17 -0.04 3.95 3.91 2z2dA15 SER 207 HB3 0.05 -0.11 -0.13 -0.04 3.93 3.70 2z2dA15 GLY 208 H 0.03 0.27 0.08 -0.55 8.43 8.27 2z2dA15 GLY 208 HA2 -0.00 0.06 0.57 -0.51 4.01 4.13 2z2dA15 GLY 208 HA3 -0.02 0.11 0.13 -0.51 4.01 3.72 2z2dA15 GLY 209 H -0.02 0.16 0.10 -0.55 8.43 8.13 2z2dA15 GLY 209 HA2 -0.09 0.04 0.34 -0.51 4.01 3.79 2z2dA15 GLY 209 HA3 -0.00 0.17 0.90 -0.51 4.01 4.56 2z2dA15 THR 210 H 0.10 0.27 0.21 -0.55 8.28 8.31 2z2dA15 THR 210 HA 0.27 0.03 0.68 -0.75 4.39 4.61 2z2dA15 THR 210 HB -0.03 0.16 0.22 -0.04 4.32 4.63 2z2dA15 THR 210 HG23 0.09 0.00 -0.17 -0.04 1.22 1.10 2z2dA15 ASN 211 H 0.23 0.17 0.24 -0.55 8.53 8.62 2z2dA15 ASN 211 HA 0.17 0.41 0.92 -0.75 4.76 5.51 2z2dA15 ASN 211 HB2 0.13 -0.13 0.09 -0.04 2.88 2.93 2z2dA15 ASN 211 HB3 0.10 0.09 -0.01 -0.04 2.79 2.93 2z2dA15 ASN 211 HD21 0.16 0.27 0.17 -0.04 7.03 7.59 2z2dA15 ASN 211 HD22 0.17 0.12 0.09 -0.04 7.74 8.08 2z2dA15 LEU 212 H 0.14 0.30 0.15 -0.55 8.37 8.41 2z2dA15 LEU 212 HA -0.00 0.13 0.22 -0.75 4.35 3.94 2z2dA15 LEU 212 HB2 0.04 0.04 0.03 -0.04 1.64 1.71 2z2dA15 LEU 212 HB3 0.07 0.02 0.05 -0.04 1.64 1.74 2z2dA15 LEU 212 HG 0.03 0.01 -0.00 -0.04 1.64 1.64 2z2dA15 LEU 212 HD13 0.05 0.03 -0.16 -0.04 0.93 0.81 2z2dA15 LEU 212 HD23 -0.18 -0.00 -0.01 -0.04 0.89 0.66 2z2dA15 PHE 213 H 0.17 0.06 -0.14 -0.55 8.34 7.87 2z2dA15 PHE 213 HA -0.12 0.13 0.30 -0.75 4.62 4.18 2z2dA15 PHE 213 HB2 -0.08 0.03 0.17 -0.04 3.15 3.22 2z2dA15 PHE 213 HB3 -0.09 -0.11 0.13 -0.04 3.06 2.94 2z2dA15 PHE 213 HD2 -0.22 0.01 0.02 -0.04 7.28 7.04 2z2dA15 PHE 213 HE2 -0.55 0.06 -0.07 -0.04 7.38 6.78 2z2dA15 PHE 213 HZ -0.57 0.17 0.01 -0.04 7.32 6.90 2z2dA15 LEU 214 H 0.16 0.01 -0.22 -0.55 8.37 7.77 2z2dA15 LEU 214 HA -0.70 0.17 0.38 -0.75 4.35 3.45 2z2dA15 LEU 214 HB2 0.16 0.13 0.10 -0.04 1.64 1.98 2z2dA15 LEU 214 HB3 0.16 -0.11 0.15 -0.04 1.64 1.79 2z2dA15 LEU 214 HG 0.22 0.00 -0.28 -0.04 1.64 1.54 2z2dA15 LEU 214 HD13 0.24 0.03 -0.12 -0.04 0.93 1.04 2z2dA15 LEU 214 HD23 0.15 -0.04 -0.00 -0.04 0.89 0.95 2z2dA15 THR 215 H 0.00 0.29 -0.16 -0.55 8.28 7.87 2z2dA15 THR 215 HA -0.03 0.11 0.38 -0.75 4.39 4.09 2z2dA15 THR 215 HB -0.53 0.02 -0.11 -0.04 4.32 3.66 2z2dA15 THR 215 HG23 -0.10 0.01 -0.10 -0.04 1.22 0.99 2z2dA15 ALA 216 H -0.25 0.59 -0.27 -0.55 8.40 7.93 2z2dA15 ALA 216 HA -0.26 0.00 0.39 -0.75 4.34 3.73 2z2dA15 ALA 216 HB3 -0.19 -0.03 -0.01 -0.04 1.41 1.14 2z2dA15 VAL 217 H -0.45 0.64 -0.16 -0.55 8.24 7.72 2z2dA15 VAL 217 HA -0.14 0.03 0.40 -0.75 4.13 3.67 2z2dA15 VAL 217 HB -0.55 0.10 0.11 -0.04 2.12 1.74 2z2dA15 VAL 217 HG13 -0.09 0.01 -0.05 -0.04 0.97 0.80 2z2dA15 VAL 217 HG23 -1.51 -0.07 0.02 -0.04 0.95 -0.65 2z2dA15 HIS 218 H -0.00 0.34 -0.28 -0.55 8.41 7.92 2z2dA15 HIS 218 HA 0.11 0.11 0.42 -0.75 4.63 4.52 2z2dA15 HIS 218 HB2 0.08 0.12 0.10 -0.04 3.26 3.52 2z2dA15 HIS 218 HB3 0.02 -0.05 0.05 -0.04 3.20 3.17 2z2dA15 HIS 218 HD2 -0.25 -0.05 -0.12 -0.04 6.97 6.51 2z2dA15 HIS 218 HE1 -0.08 0.15 -0.18 -0.04 7.75 7.61 2z2dA15 GLU 219 H -0.01 0.54 -0.14 -0.55 8.60 8.45 2z2dA15 GLU 219 HA 0.17 0.00 0.25 -0.75 4.29 3.96 2z2dA15 GLU 219 HB2 0.22 -0.00 -0.08 -0.04 2.09 2.18 2z2dA15 GLU 219 HB3 0.05 -0.06 -0.04 -0.04 1.99 1.90 2z2dA15 GLU 219 HG2 -0.38 -0.08 -0.07 -0.04 2.34 1.78 2z2dA15 GLU 219 HG3 -0.14 0.03 0.16 -0.04 2.34 2.35 2z2dA15 ILE 220 H -0.09 0.45 -0.34 -0.55 8.25 7.72 2z2dA15 ILE 220 HA -0.13 0.04 0.42 -0.75 4.18 3.75 2z2dA15 ILE 220 HB -0.51 -0.03 -0.07 -0.04 1.89 1.24 2z2dA15 ILE 220 HG12 -0.09 0.04 0.16 -0.04 1.49 1.56 2z2dA15 ILE 220 HG13 -0.14 0.06 -0.19 -0.04 1.21 0.91 2z2dA15 ILE 220 HG23 -0.58 -0.04 -0.06 -0.04 0.93 0.22 2z2dA15 ILE 220 HD13 -0.45 -0.04 -0.25 -0.04 0.88 0.10 2z2dA15 GLY 221 H 0.00 0.48 -0.31 -0.55 8.43 8.07 2z2dA15 GLY 221 HA2 -1.48 0.00 0.27 -0.51 4.01 2.28 2z2dA15 GLY 221 HA3 -0.09 0.09 0.25 -0.51 4.01 3.75 2z2dA15 HIS 222 H 0.04 0.37 -0.56 -0.55 8.41 7.72 2z2dA15 HIS 222 HA 0.02 0.17 0.23 -0.75 4.63 4.29 2z2dA15 HIS 222 HB2 0.12 0.13 -0.04 -0.04 3.26 3.43 2z2dA15 HIS 222 HB3 0.11 -0.07 -0.40 -0.04 3.20 2.79 2z2dA15 HIS 222 HD2 0.17 -0.12 -0.10 -0.04 6.97 6.87 2z2dA15 HIS 222 HE1 -0.24 -0.15 -0.06 -0.04 7.75 7.26 2z2dA15 SER 223 H 0.06 0.24 -0.26 -0.55 8.46 7.95 2z2dA15 SER 223 HA 0.09 0.01 0.45 -0.75 4.49 4.28 2z2dA15 SER 223 HB2 0.10 -0.01 -0.10 -0.04 3.95 3.89 2z2dA15 SER 223 HB3 0.10 -0.06 0.04 -0.04 3.93 3.97 2z2dA15 LEU 224 H -0.16 0.47 -0.14 -0.55 8.37 7.99 2z2dA15 LEU 224 HA 0.08 0.06 0.66 -0.75 4.35 4.39 2z2dA15 LEU 224 HB2 0.19 0.00 0.08 -0.04 1.64 1.88 2z2dA15 LEU 224 HB3 0.29 -0.10 0.01 -0.04 1.64 1.79 2z2dA15 LEU 224 HG -0.75 0.14 0.01 -0.04 1.64 1.00 2z2dA15 LEU 224 HD13 -1.48 -0.02 -0.16 -0.04 0.93 -0.77 2z2dA15 LEU 224 HD23 -0.86 -0.05 -0.23 -0.04 0.89 -0.29 2z2dA15 GLY 225 H -0.12 0.13 -0.73 -0.55 8.43 7.16 2z2dA15 GLY 225 HA2 -0.01 0.05 0.70 -0.51 4.01 4.24 2z2dA15 GLY 225 HA3 -0.22 -0.03 0.28 -0.51 4.01 3.52 2z2dA15 LEU 226 H 0.01 0.04 0.13 -0.55 8.37 8.00 2z2dA15 LEU 226 HA 0.09 0.30 0.80 -0.75 4.35 4.79 2z2dA15 LEU 226 HB2 0.04 -0.09 0.19 -0.04 1.64 1.74 2z2dA15 LEU 226 HB3 0.05 -0.00 0.19 -0.04 1.64 1.83 2z2dA15 LEU 226 HG 0.05 0.12 -0.35 -0.04 1.64 1.41 2z2dA15 LEU 226 HD13 0.02 0.00 0.00 -0.04 0.93 0.91 2z2dA15 LEU 226 HD23 0.01 -0.00 -0.01 -0.04 0.89 0.85 2z2dA15 GLY 227 H 0.03 0.07 0.13 -0.55 8.43 8.12 2z2dA15 GLY 227 HA2 -0.12 0.08 0.49 -0.51 4.01 3.96 2z2dA15 GLY 227 HA3 -0.07 -0.04 0.38 -0.51 4.01 3.77 2z2dA15 HIS 228 H -0.19 0.05 0.03 -0.55 8.41 7.75 2z2dA15 HIS 228 HA 0.06 0.25 0.74 -0.75 4.63 4.92 2z2dA15 HIS 228 HB2 0.11 -0.14 0.12 -0.04 3.26 3.31 2z2dA15 HIS 228 HB3 0.09 -0.12 -0.18 -0.04 3.20 2.95 2z2dA15 HIS 228 HD2 -0.02 0.03 -0.22 -0.04 6.97 6.72 2z2dA15 HIS 228 HE1 0.18 -0.04 -0.00 -0.04 7.75 7.85 2z2dA15 SER 229 H 0.21 -0.05 0.18 -0.55 8.46 8.25 2z2dA15 SER 229 HA 0.08 0.32 0.92 -0.75 4.49 5.05 2z2dA15 SER 229 HB2 0.04 0.09 0.08 -0.04 3.95 4.11 2z2dA15 SER 229 HB3 0.05 0.01 -0.03 -0.04 3.93 3.92 2z2dA15 SER 230 H 0.17 -0.06 0.22 -0.55 8.46 8.24 2z2dA15 SER 230 HA 0.12 0.00 0.31 -0.75 4.49 4.17 2z2dA15 SER 230 HB2 0.09 -0.01 -0.32 -0.04 3.95 3.67 2z2dA15 SER 230 HB3 0.06 0.14 0.36 -0.04 3.93 4.46 2z2dA15 ASP 231 H 0.10 -0.04 -0.07 -0.55 8.40 7.85 2z2dA15 ASP 231 HA 0.07 0.35 0.98 -0.75 4.63 5.27 2z2dA15 ASP 231 HB2 -0.01 -0.10 -0.06 -0.04 2.71 2.51 2z2dA15 ASP 231 HB3 -0.01 0.03 -0.02 -0.04 2.70 2.66 2z2dA15 PRO 232 HA -0.36 0.12 0.21 -0.51 4.44 3.91 2z2dA15 PRO 232 HB2 -0.11 0.04 -0.08 -0.04 2.28 2.09 2z2dA15 PRO 232 HB3 -0.06 0.07 0.06 -0.04 2.02 2.05 2z2dA15 PRO 232 HG2 0.00 0.05 0.07 -0.04 2.03 2.11 2z2dA15 PRO 232 HG3 0.08 0.06 0.07 -0.04 2.03 2.21 2z2dA15 PRO 232 HD2 -0.00 0.10 0.21 -0.04 3.68 3.95 2z2dA15 PRO 232 HD3 0.08 0.21 0.26 -0.04 3.65 4.15 2z2dA15 LYS 233 H -0.15 -0.06 -0.78 -0.55 8.42 6.88 2z2dA15 LYS 233 HA -0.23 0.17 0.70 -0.75 4.32 4.21 2z2dA15 LYS 233 HB2 -0.12 -0.04 -0.10 -0.04 1.87 1.58 2z2dA15 LYS 233 HB3 -0.11 0.03 0.02 -0.04 1.79 1.69 2z2dA15 LYS 233 HG2 -0.06 0.01 -0.07 -0.04 1.46 1.30 2z2dA15 LYS 233 HG3 -0.08 -0.09 -0.09 -0.04 1.46 1.16 2z2dA15 LYS 233 HD2 -0.05 0.00 -0.07 -0.04 1.69 1.53 2z2dA15 LYS 233 HD3 -0.03 0.04 -0.06 -0.04 1.68 1.60 2z2dA15 LYS 233 HE2 -0.01 0.05 -0.06 -0.04 2.99 2.93 2z2dA15 LYS 233 HE3 -0.05 -0.02 -0.15 -0.04 2.99 2.73 2z2dA15 ALA 234 H -0.18 0.49 0.01 -0.55 8.40 8.17 2z2dA15 ALA 234 HA -0.10 -0.00 0.64 -0.75 4.34 4.13 2z2dA15 ALA 234 HB3 0.05 0.00 0.16 -0.04 1.41 1.58 2z2dA15 VAL 235 H -0.16 0.09 0.22 -0.55 8.24 7.85 2z2dA15 VAL 235 HA -0.46 0.23 0.23 -0.75 4.13 3.39 2z2dA15 VAL 235 HB -0.30 -0.18 0.19 -0.04 2.12 1.79 2z2dA15 VAL 235 HG13 -0.13 0.01 -0.17 -0.04 0.97 0.63 2z2dA15 VAL 235 HG23 -0.96 0.05 -0.16 -0.04 0.95 -0.16 2z2dA15 MET 236 H -0.05 -0.16 -0.75 -0.55 8.47 6.96 2z2dA15 MET 236 HA -0.45 0.22 0.65 -0.75 4.52 4.18 2z2dA15 MET 236 HB2 -0.60 0.03 0.03 -0.04 2.15 1.58 2z2dA15 MET 236 HB3 -0.18 0.08 -0.21 -0.04 2.03 1.68 2z2dA15 MET 236 HG2 0.07 -0.20 -0.14 -0.04 2.63 2.31 2z2dA15 MET 236 HG3 0.19 -0.15 -0.22 -0.04 2.56 2.34 2z2dA15 MET 236 HE3 -0.29 0.01 -0.18 -0.04 2.10 1.60 2z2dA15 PHE 237 H 0.22 0.36 -0.20 -0.55 8.34 8.16 2z2dA15 PHE 237 HA -0.12 -0.21 0.38 -0.75 4.62 3.92 2z2dA15 PHE 237 HB2 -0.05 -0.15 0.00 -0.04 3.15 2.91 2z2dA15 PHE 237 HB3 -0.06 0.02 0.16 -0.04 3.06 3.13 2z2dA15 PHE 237 HD2 -0.08 -0.16 -0.28 -0.04 7.28 6.71 2z2dA15 PHE 237 HE2 -0.08 -0.09 -0.10 -0.04 7.38 7.06 2z2dA15 PHE 237 HZ -0.11 -0.08 -0.22 -0.04 7.32 6.86 2z2dA15 PRO 238 HA -0.26 0.11 0.35 -0.51 4.44 4.12 2z2dA15 PRO 238 HB2 -0.13 -0.05 0.04 -0.04 2.28 2.09 2z2dA15 PRO 238 HB3 -0.07 0.03 0.05 -0.04 2.02 1.99 2z2dA15 PRO 238 HG2 0.04 0.03 0.09 -0.04 2.03 2.14 2z2dA15 PRO 238 HG3 0.07 0.08 0.09 -0.04 2.03 2.23 2z2dA15 PRO 238 HD2 0.01 -0.04 0.22 -0.04 3.68 3.83 2z2dA15 PRO 238 HD3 -0.23 0.06 0.22 -0.04 3.65 3.65 2z2dA15 THR 239 H -0.49 -0.01 -0.19 -0.55 8.28 7.04 2z2dA15 THR 239 HA -0.29 -0.04 0.33 -0.75 4.39 3.63 2z2dA15 THR 239 HB -0.85 0.05 -0.08 -0.04 4.32 3.39 2z2dA15 THR 239 HG23 -0.12 -0.00 0.02 -0.04 1.22 1.08 2z2dA15 TYR 240 H -0.12 0.02 0.20 -0.55 8.29 7.84 2z2dA15 TYR 240 HA -0.15 0.25 0.80 -0.75 4.56 4.71 2z2dA15 TYR 240 HB2 -0.12 0.14 0.09 -0.04 3.06 3.12 2z2dA15 TYR 240 HB3 -0.14 -0.05 0.09 -0.04 2.98 2.83 2z2dA15 TYR 240 HD2 -0.09 0.09 -0.10 -0.04 7.15 7.01 2z2dA15 TYR 240 HE2 -0.01 -0.03 -0.05 -0.04 6.85 6.72 2z2dA15 LYS 241 H -1.61 0.11 -0.04 -0.55 8.42 6.33 2z2dA15 LYS 241 HA -0.57 -0.07 0.28 -0.75 4.32 3.20 2z2dA15 LYS 241 HB2 -0.20 0.14 0.33 -0.04 1.87 2.10 2z2dA15 LYS 241 HB3 -0.12 0.02 -0.38 -0.04 1.79 1.27 2z2dA15 LYS 241 HG2 -0.27 0.03 -0.19 -0.04 1.46 0.98 2z2dA15 LYS 241 HG3 -0.10 -0.02 -0.04 -0.04 1.46 1.25 2z2dA15 LYS 241 HD2 -0.03 0.01 -0.16 -0.04 1.69 1.47 2z2dA15 LYS 241 HD3 -0.05 0.02 -0.53 -0.04 1.68 1.07 2z2dA15 LYS 241 HE2 0.01 -0.01 -0.05 -0.04 2.99 2.89 2z2dA15 LYS 241 HE3 -0.01 -0.01 -0.07 -0.04 2.99 2.87 2z2dA15 TYR 242 H -1.01 0.09 0.06 -0.55 8.29 6.89 2z2dA15 TYR 242 HA -0.07 -0.02 0.38 -0.75 4.56 4.09 2z2dA15 TYR 242 HB2 0.03 0.00 -0.03 -0.04 3.06 3.02 2z2dA15 TYR 242 HB3 0.08 -0.06 -0.15 -0.04 2.98 2.81 2z2dA15 TYR 242 HD2 0.06 0.00 0.05 -0.04 7.15 7.22 2z2dA15 TYR 242 HE2 0.02 0.03 0.02 -0.04 6.85 6.89 2z2dA15 VAL 243 H 0.09 0.16 0.18 -0.55 8.24 8.13 2z2dA15 VAL 243 HA 0.09 0.08 0.81 -0.75 4.13 4.36 2z2dA15 VAL 243 HB 0.02 0.13 -0.17 -0.04 2.12 2.06 2z2dA15 VAL 243 HG13 0.13 -0.00 0.04 -0.04 0.97 1.10 2z2dA15 VAL 243 HG23 0.04 -0.01 -0.09 -0.04 0.95 0.84 2z2dA15 ASP 244 H 0.06 0.16 0.08 -0.55 8.40 8.15 2z2dA15 ASP 244 HA 0.02 0.02 0.37 -0.75 4.63 4.29 2z2dA15 ASP 244 HB2 0.00 0.10 0.15 -0.04 2.71 2.91 2z2dA15 ASP 244 HB3 -0.00 0.02 0.04 -0.04 2.70 2.72 2z2dA15 ILE 245 H -0.10 0.10 0.22 -0.55 8.25 7.92 2z2dA15 ILE 245 HA -0.09 0.19 0.46 -0.75 4.18 3.99 2z2dA15 ILE 245 HB -0.45 0.02 0.04 -0.04 1.89 1.46 2z2dA15 ILE 245 HG12 -0.87 -0.01 0.07 -0.04 1.49 0.64 2z2dA15 ILE 245 HG13 -0.17 0.03 0.10 -0.04 1.21 1.13 2z2dA15 ILE 245 HG23 -1.75 0.04 0.06 -0.04 0.93 -0.77 2z2dA15 ILE 245 HD13 -0.14 -0.01 0.09 -0.04 0.88 0.78 2z2dA15 ASN 246 H -0.09 -0.06 -0.38 -0.55 8.53 7.45 2z2dA15 ASN 246 HA -0.07 0.15 0.43 -0.75 4.76 4.50 2z2dA15 ASN 246 HB2 -0.06 -0.11 0.03 -0.04 2.88 2.70 2z2dA15 ASN 246 HB3 -0.03 0.06 -0.16 -0.04 2.79 2.62 2z2dA15 ASN 246 HD21 -0.05 -0.04 -0.01 -0.04 7.03 6.89 2z2dA15 ASN 246 HD22 -0.04 0.03 -0.00 -0.04 7.74 7.69 2z2dA15 THR 247 H 0.02 0.35 -0.54 -0.55 8.28 7.55 2z2dA15 THR 247 HA -0.01 0.19 0.72 -0.75 4.39 4.54 2z2dA15 THR 247 HB -0.01 0.01 0.07 -0.04 4.32 4.35 2z2dA15 THR 247 HG23 -0.01 -0.01 -0.09 -0.04 1.22 1.07 2z2dA15 PHE 248 H 0.15 0.13 -0.32 -0.55 8.34 7.75 2z2dA15 PHE 248 HA 0.00 0.08 0.41 -0.75 4.62 4.36 2z2dA15 PHE 248 HB2 0.21 -0.06 0.12 -0.04 3.15 3.38 2z2dA15 PHE 248 HB3 0.17 0.08 0.26 -0.04 3.06 3.52 2z2dA15 PHE 248 HD2 0.15 -0.01 -0.02 -0.04 7.28 7.35 2z2dA15 PHE 248 HE2 -0.17 0.00 -0.04 -0.04 7.38 7.14 2z2dA15 PHE 248 HZ -0.19 0.12 -0.02 -0.04 7.32 7.19 2z2dA15 ARG 249 H -0.19 0.40 0.34 -0.55 8.46 8.46 2z2dA15 ARG 249 HA -0.07 0.14 0.88 -0.75 4.34 4.53 2z2dA15 ARG 249 HB2 -0.07 0.02 -0.07 -0.04 1.90 1.73 2z2dA15 ARG 249 HB3 -0.14 0.01 0.01 -0.04 1.80 1.64 2z2dA15 ARG 249 HG2 -0.09 -0.06 0.06 -0.04 1.67 1.53 2z2dA15 ARG 249 HG3 -0.07 -0.03 -0.03 -0.04 1.67 1.50 2z2dA15 ARG 249 HD2 -0.10 -0.04 -0.13 -0.04 3.22 2.90 2z2dA15 ARG 249 HD3 -0.16 -0.03 -0.62 -0.04 3.22 2.38 2z2dA15 LEU 250 H -0.15 0.20 0.13 -0.55 8.37 8.01 2z2dA15 LEU 250 HA -0.30 0.11 0.76 -0.75 4.35 4.17 2z2dA15 LEU 250 HB2 -0.26 0.03 -0.05 -0.04 1.64 1.32 2z2dA15 LEU 250 HB3 -0.38 0.04 -0.07 -0.04 1.64 1.19 2z2dA15 LEU 250 HG -0.31 0.10 -0.04 -0.04 1.64 1.35 2z2dA15 LEU 250 HD13 -0.08 0.00 -0.06 -0.04 0.93 0.76 2z2dA15 LEU 250 HD23 -0.11 -0.01 0.02 -0.04 0.89 0.75 2z2dA15 SER 251 H -0.16 0.11 0.22 -0.55 8.46 8.08 2z2dA15 SER 251 HA -0.09 0.11 0.60 -0.75 4.49 4.36 2z2dA15 SER 251 HB2 -0.06 -0.05 0.15 -0.04 3.95 3.95 2z2dA15 SER 251 HB3 -0.05 -0.10 0.00 -0.04 3.93 3.74 2z2dA15 ALA 252 H -0.04 0.21 0.22 -0.55 8.40 8.24 2z2dA15 ALA 252 HA -0.02 0.18 0.22 -0.75 4.34 3.97 2z2dA15 ALA 252 HB3 -0.02 0.04 0.10 -0.04 1.41 1.49 2z2dA15 ASP 253 H -0.01 0.09 -0.02 -0.55 8.40 7.91 2z2dA15 ASP 253 HA 0.01 0.14 0.42 -0.75 4.63 4.44 2z2dA15 ASP 253 HB2 -0.01 -0.07 0.04 -0.04 2.71 2.63 2z2dA15 ASP 253 HB3 0.01 0.08 -0.03 -0.04 2.70 2.72 2z2dA15 ASP 254 H 0.00 0.00 -0.52 -0.55 8.40 7.34 2z2dA15 ASP 254 HA 0.05 0.09 0.39 -0.75 4.63 4.41 2z2dA15 ASP 254 HB2 0.01 -0.11 0.08 -0.04 2.71 2.65 2z2dA15 ASP 254 HB3 0.01 0.13 0.14 -0.04 2.70 2.95 2z2dA15 ILE 255 H 0.04 0.53 -0.02 -0.55 8.25 8.26 2z2dA15 ILE 255 HA 0.36 0.08 0.44 -0.75 4.18 4.31 2z2dA15 ILE 255 HB 0.14 0.13 0.05 -0.04 1.89 2.17 2z2dA15 ILE 255 HG12 -0.01 0.07 0.06 -0.04 1.49 1.56 2z2dA15 ILE 255 HG13 0.04 0.14 0.09 -0.04 1.21 1.45 2z2dA15 ILE 255 HG23 -0.15 -0.03 -0.04 -0.04 0.93 0.67 2z2dA15 ILE 255 HD13 -0.00 -0.02 -0.04 -0.04 0.88 0.78 2z2dA15 ARG 256 H 0.05 0.45 -0.22 -0.55 8.46 8.20 2z2dA15 ARG 256 HA 0.06 0.14 0.47 -0.75 4.34 4.25 2z2dA15 ARG 256 HB2 0.02 -0.04 0.14 -0.04 1.90 1.98 2z2dA15 ARG 256 HB3 0.02 -0.05 -0.01 -0.04 1.80 1.73 2z2dA15 ARG 256 HG2 0.03 0.01 0.02 -0.04 1.67 1.68 2z2dA15 ARG 256 HG3 0.03 0.03 0.07 -0.04 1.67 1.76 2z2dA15 ARG 256 HD2 0.01 -0.16 -0.16 -0.04 3.22 2.86 2z2dA15 ARG 256 HD3 0.01 -0.06 -0.12 -0.04 3.22 3.02 2z2dA15 GLY 257 H 0.05 0.43 -0.29 -0.55 8.43 8.07 2z2dA15 GLY 257 HA2 -0.00 0.01 0.44 -0.51 4.01 3.95 2z2dA15 GLY 257 HA3 0.02 0.05 0.34 -0.51 4.01 3.91 2z2dA15 ILE 258 H 0.07 0.41 -0.09 -0.55 8.25 8.08 2z2dA15 ILE 258 HA -0.09 0.01 0.47 -0.75 4.18 3.82 2z2dA15 ILE 258 HB 0.02 0.07 0.17 -0.04 1.89 2.11 2z2dA15 ILE 258 HG12 0.21 0.18 0.21 -0.04 1.49 2.05 2z2dA15 ILE 258 HG13 0.16 0.06 -0.24 -0.04 1.21 1.15 2z2dA15 ILE 258 HG23 0.12 -0.05 0.10 -0.04 0.93 1.06 2z2dA15 ILE 258 HD13 0.14 0.01 -0.02 -0.04 0.88 0.97 2z2dA15 GLN 259 H 0.07 0.39 -0.13 -0.55 8.47 8.26 2z2dA15 GLN 259 HA 0.10 0.07 0.56 -0.75 4.36 4.33 2z2dA15 GLN 259 HB2 0.10 -0.15 0.18 -0.04 2.15 2.24 2z2dA15 GLN 259 HB3 0.16 0.14 0.39 -0.04 2.02 2.67 2z2dA15 GLN 259 HG2 0.11 0.21 0.15 -0.04 2.40 2.83 2z2dA15 GLN 259 HG3 0.07 -0.11 0.25 -0.04 2.39 2.55 2z2dA15 GLN 259 HE21 0.06 -0.00 -0.03 -0.04 6.97 6.95 2z2dA15 GLN 259 HE22 0.04 -0.11 -0.03 -0.04 7.69 7.55 2z2dA15 SER 260 H -0.03 0.26 -0.50 -0.55 8.46 7.64 2z2dA15 SER 260 HA -0.01 -0.00 0.35 -0.75 4.49 4.07 2z2dA15 SER 260 HB2 -0.01 -0.03 0.09 -0.04 3.95 3.97 2z2dA15 SER 260 HB3 -0.03 0.07 0.19 -0.04 3.93 4.12 2z2dA15 LEU 261 H -0.22 0.33 -0.33 -0.55 8.37 7.60 2z2dA15 LEU 261 HA -0.13 -0.05 0.46 -0.75 4.35 3.88 2z2dA15 LEU 261 HB2 -0.53 0.25 0.21 -0.04 1.64 1.54 2z2dA15 LEU 261 HB3 -0.74 -0.02 0.01 -0.04 1.64 0.85 2z2dA15 LEU 261 HG -0.11 -0.05 0.06 -0.04 1.64 1.49 2z2dA15 LEU 261 HD13 -0.11 -0.01 0.02 -0.04 0.93 0.79 2z2dA15 LEU 261 HD23 -0.03 -0.02 -0.03 -0.04 0.89 0.76 2z2dA15 TYR 262 H -0.85 0.30 -0.10 -0.55 8.29 7.09 2z2dA15 TYR 262 HA 0.03 0.08 0.87 -0.75 4.56 4.79 2z2dA15 TYR 262 HB2 0.04 -0.05 -0.06 -0.04 3.06 2.94 2z2dA15 TYR 262 HB3 0.03 -0.04 0.03 -0.04 2.98 2.96 2z2dA15 TYR 262 HD2 0.03 -0.03 0.07 -0.04 7.15 7.18 2z2dA15 TYR 262 HE2 0.03 -0.01 -0.00 -0.04 6.85 6.83 2z2dA15 GLY 263 H 0.09 0.26 -0.06 -0.55 8.43 8.17 2z2dA15 GLY 263 HA2 0.09 -0.03 0.24 -0.51 4.01 3.80 2z2dA15 GLY 263 HA3 0.11 0.27 0.59 -0.51 4.01 4.47