============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 8 1.040 -87.730 -3.534 69.583 -99.200 -91.000 TRP6 8 1.020 -87.121 -1.392 68.790 -99.200 -91.000 PHE 45 1.000 -81.187 2.565 74.454 -99.200 -91.000 TYR 47 0.840 -85.687 5.108 77.177 -99.200 -91.000 PHE 55 1.000 -92.354 5.129 87.634 -99.200 -91.000 TYR 61 0.840 -92.747 11.051 97.726 -99.200 -91.000 PHE 66 1.000 -87.752 3.742 89.421 -99.200 -91.000 PHE 71 1.000 -88.473 -12.607 88.277 -99.200 -91.000 PHE 72 1.000 -86.120 -12.436 80.270 -99.200 -91.000 HIS 91 0.900 -86.497 -11.501 66.928 -99.200 -91.000 PHE 108 1.000 -82.097 -11.587 71.316 -99.200 -91.000 TYR 115 0.840 -73.376 -12.475 83.568 -99.200 -91.000 PHE 117 1.000 -80.409 -18.406 87.923 -99.200 -91.000 TYR 127 0.840 -74.880 -8.358 93.061 -99.200 -91.000 TYR 129 0.840 -72.918 -2.634 91.460 -99.200 -91.000 HIS 133 0.900 -76.855 12.123 84.901 -99.200 -91.000 TYR 134 0.840 -86.561 14.105 86.526 -99.200 -91.000 HIS 139 0.900 -84.825 22.515 80.212 -99.200 -91.000 PHE 142 1.000 -82.047 13.759 91.578 -99.200 -91.000 TYR 161 0.840 -81.781 -18.450 80.800 -99.200 -91.000 TRP 167 1.040 -83.615 3.068 86.508 -99.200 -91.000 TRP6 167 1.020 -84.751 1.165 85.696 -99.200 -91.000 TRP 169 1.040 -84.126 10.053 93.926 -99.200 -91.000 TRP6 169 1.020 -85.543 9.281 92.201 -99.200 -91.000 PHE 189 1.000 -76.766 1.197 83.118 -99.200 -91.000 PHE 191 1.000 -77.946 -4.082 81.515 -99.200 -91.000 TYR 192 0.840 -71.967 -3.379 75.695 -99.200 -91.000 TYR 193 0.840 -77.279 -9.647 79.211 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3f0yE1 ASP 128 HA -0.04 -0.08 0.26 -0.75 4.63 4.02 3f0yE1 ASP 128 HB2 -0.04 0.05 0.08 -0.04 2.71 2.76 3f0yE1 ASP 128 HB3 -0.06 0.01 0.13 -0.04 2.70 2.73 3f0yE1 ASP 129 H -0.06 0.14 0.13 -0.55 8.40 8.06 3f0yE1 ASP 129 HA -0.07 0.14 0.44 -0.75 4.63 4.39 3f0yE1 ASP 129 HB2 -0.06 0.03 0.13 -0.04 2.71 2.78 3f0yE1 ASP 129 HB3 -0.07 -0.02 0.08 -0.04 2.70 2.65 3f0yE1 ASN 130 H -0.08 0.06 -0.19 -0.55 8.53 7.76 3f0yE1 ASN 130 HA -0.14 0.05 0.42 -0.75 4.76 4.33 3f0yE1 ASN 130 HB2 -0.08 -0.04 0.07 -0.04 2.88 2.79 3f0yE1 ASN 130 HB3 -0.06 0.18 0.11 -0.04 2.79 2.98 3f0yE1 ASN 130 HD21 -0.02 -0.04 0.03 -0.04 7.03 6.96 3f0yE1 ASN 130 HD22 -0.03 -0.00 0.05 -0.04 7.74 7.72 3f0yE1 ILE 131 H -0.18 0.29 -0.34 -0.55 8.25 7.48 3f0yE1 ILE 131 HA -0.96 0.09 0.58 -0.75 4.18 3.14 3f0yE1 ILE 131 HB -0.50 0.00 0.16 -0.04 1.89 1.51 3f0yE1 ILE 131 HG12 -0.14 0.35 0.08 -0.04 1.49 1.75 3f0yE1 ILE 131 HG13 -0.12 0.03 -0.25 -0.04 1.21 0.83 3f0yE1 ILE 131 HG23 -0.31 -0.03 0.04 -0.04 0.93 0.59 3f0yE1 ILE 131 HD13 -0.08 -0.03 -0.01 -0.04 0.88 0.72 3f0yE1 ASN 132 H -0.09 0.46 -0.26 -0.55 8.53 8.10 3f0yE1 ASN 132 HA 0.03 0.12 0.73 -0.75 4.76 4.88 3f0yE1 ASN 132 HB2 -0.07 0.15 0.17 -0.04 2.88 3.09 3f0yE1 ASN 132 HB3 -0.05 -0.02 0.23 -0.04 2.79 2.91 3f0yE1 ASN 132 HD21 -0.07 -0.03 0.01 -0.04 7.03 6.90 3f0yE1 ASN 132 HD22 -0.07 -0.02 0.13 -0.04 7.74 7.74 3f0yE1 THR 133 H -0.01 0.29 -0.22 -0.55 8.28 7.80 3f0yE1 THR 133 HA 0.03 0.34 1.09 -0.75 4.39 5.10 3f0yE1 THR 133 HB -0.37 -0.05 0.20 -0.04 4.32 4.05 3f0yE1 THR 133 HG23 -0.62 -0.02 -0.22 -0.04 1.22 0.32 3f0yE1 LEU 134 H -0.18 0.82 0.29 -0.55 8.37 8.76 3f0yE1 LEU 134 HA -0.24 0.16 0.61 -0.75 4.35 4.12 3f0yE1 LEU 134 HB2 -2.05 0.06 -0.08 -0.04 1.64 -0.48 3f0yE1 LEU 134 HB3 -0.77 -0.03 0.14 -0.04 1.64 0.93 3f0yE1 LEU 134 HG -0.22 -0.04 -0.18 -0.04 1.64 1.16 3f0yE1 LEU 134 HD13 -0.39 0.01 -0.21 -0.04 0.93 0.30 3f0yE1 LEU 134 HD23 -0.34 -0.00 -0.06 -0.04 0.89 0.45 3f0yE1 TRP 135 H 0.29 0.77 0.28 -0.55 7.97 8.77 3f0yE1 TRP 135 HA -0.03 0.27 0.96 -0.75 4.62 5.07 3f0yE1 TRP 135 HB2 0.02 0.06 0.24 -0.04 3.23 3.51 3f0yE1 TRP 135 HB3 -0.01 -0.05 -0.28 -0.04 3.23 2.85 3f0yE1 TRP 135 HD1 -0.03 0.32 -0.11 -0.04 7.22 7.36 3f0yE1 TRP 135 HE1 0.01 0.25 -0.22 -0.04 10.20 10.19 3f0yE1 TRP 135 HE3 0.03 0.01 -0.14 -0.04 7.59 7.46 3f0yE1 TRP 135 HZ2 0.01 0.12 -0.32 -0.04 7.44 7.21 3f0yE1 TRP 135 HZ3 0.01 -0.01 -0.12 -0.04 7.13 6.97 3f0yE1 TRP 135 HH2 0.01 0.01 -0.02 -0.04 7.19 7.14 3f0yE1 THR 136 H -0.01 0.34 0.31 -0.55 8.28 8.37 3f0yE1 THR 136 HA -0.11 0.16 0.70 -0.75 4.39 4.39 3f0yE1 THR 136 HB -0.16 0.02 0.22 -0.04 4.32 4.35 3f0yE1 THR 136 HG23 -0.02 0.07 0.09 -0.04 1.22 1.32 3f0yE1 GLY 137 H -1.71 -0.03 -0.27 -0.55 8.43 5.87 3f0yE1 GLY 137 HA2 -1.95 0.04 0.06 -0.51 4.01 1.65 3f0yE1 GLY 137 HA3 -0.63 0.09 0.61 -0.51 4.01 3.57 3f0yE1 VAL 138 H -0.53 0.84 0.26 -0.55 8.24 8.27 3f0yE1 VAL 138 HA -0.24 0.01 0.58 -0.75 4.13 3.72 3f0yE1 VAL 138 HB -0.09 0.05 0.16 -0.04 2.12 2.21 3f0yE1 VAL 138 HG13 0.03 -0.01 -0.10 -0.04 0.97 0.86 3f0yE1 VAL 138 HG23 -0.07 -0.01 0.00 -0.04 0.95 0.84 3f0yE1 ASN 139 H -0.09 0.07 0.08 -0.55 8.53 8.04 3f0yE1 ASN 139 HA -0.06 0.00 0.28 -0.75 4.76 4.23 3f0yE1 ASN 139 HB2 0.02 -0.06 -0.03 -0.04 2.88 2.76 3f0yE1 ASN 139 HB3 -0.02 0.04 -0.17 -0.04 2.79 2.60 3f0yE1 ASN 139 HD21 0.00 -0.00 -0.05 -0.04 7.03 6.94 3f0yE1 ASN 139 HD22 -0.00 -0.03 -0.03 -0.04 7.74 7.64 3f0yE1 PRO 140 HA -0.09 0.02 0.37 -0.51 4.44 4.23 3f0yE1 PRO 140 HB2 -0.09 0.16 -0.02 -0.04 2.28 2.29 3f0yE1 PRO 140 HB3 -0.10 -0.00 0.07 -0.04 2.02 1.95 3f0yE1 PRO 140 HG2 -0.13 -0.05 0.00 -0.04 2.03 1.80 3f0yE1 PRO 140 HG3 -0.18 0.25 -0.10 -0.04 2.03 1.96 3f0yE1 PRO 140 HD2 -0.12 -0.04 -0.00 -0.04 3.68 3.48 3f0yE1 PRO 140 HD3 -0.17 0.11 -0.31 -0.04 3.65 3.23 3f0yE1 THR 141 H -0.05 0.07 0.17 -0.55 8.28 7.92 3f0yE1 THR 141 HA -0.03 0.09 0.35 -0.75 4.39 4.04 3f0yE1 THR 141 HB -0.03 -0.06 0.11 -0.04 4.32 4.29 3f0yE1 THR 141 HG23 -0.02 -0.01 -0.04 -0.04 1.22 1.12 3f0yE1 GLU 142 H -0.05 0.05 -0.15 -0.55 8.60 7.91 3f0yE1 GLU 142 HA -0.04 0.16 0.79 -0.75 4.29 4.45 3f0yE1 GLU 142 HB2 -0.04 0.01 -0.04 -0.04 2.09 1.98 3f0yE1 GLU 142 HB3 -0.04 0.02 0.03 -0.04 1.99 1.96 3f0yE1 GLU 142 HG2 -0.03 -0.08 -0.14 -0.04 2.34 2.04 3f0yE1 GLU 142 HG3 -0.03 0.01 -0.03 -0.04 2.34 2.25 3f0yE1 ALA 143 H -0.05 0.09 0.04 -0.55 8.40 7.94 3f0yE1 ALA 143 HA -0.09 0.04 0.27 -0.75 4.34 3.80 3f0yE1 ALA 143 HB3 -0.09 -0.01 -0.07 -0.04 1.41 1.20 3f0yE1 ASN 144 H -0.10 0.14 0.38 -0.55 8.53 8.40 3f0yE1 ASN 144 HA -0.07 0.22 0.85 -0.75 4.76 5.01 3f0yE1 ASN 144 HB2 -0.07 -0.04 0.24 -0.04 2.88 2.97 3f0yE1 ASN 144 HB3 -0.08 0.13 0.07 -0.04 2.79 2.87 3f0yE1 ASN 144 HD21 -0.11 0.40 0.16 -0.04 7.03 7.43 3f0yE1 ASN 144 HD22 -0.10 0.08 0.12 -0.04 7.74 7.79 3f0yE1 CYS 145 H -0.12 0.29 0.14 -0.55 8.50 8.26 3f0yE1 CYS 145 HA -0.07 0.37 1.07 -0.75 4.58 5.19 3f0yE1 CYS 145 HB2 -0.09 -0.01 -0.21 -0.04 2.97 2.62 3f0yE1 CYS 145 HB3 -0.17 -0.04 -0.10 -0.04 2.97 2.62 3f0yE1 GLN 146 H -0.06 0.88 0.23 -0.55 8.47 8.97 3f0yE1 GLN 146 HA -0.12 -0.15 0.98 -0.75 4.36 4.32 3f0yE1 GLN 146 HB2 -0.05 -0.08 -0.15 -0.04 2.15 1.82 3f0yE1 GLN 146 HB3 -0.03 0.15 0.15 -0.04 2.02 2.25 3f0yE1 GLN 146 HG2 -0.03 0.10 -0.23 -0.04 2.40 2.20 3f0yE1 GLN 146 HG3 -0.05 -0.02 -0.09 -0.04 2.39 2.19 3f0yE1 GLN 146 HE21 -0.02 0.03 -0.24 -0.04 6.97 6.70 3f0yE1 GLN 146 HE22 -0.03 -0.16 -0.36 -0.04 7.69 7.10 3f0yE1 MET 147 H -0.23 -0.00 -0.00 -0.55 8.47 7.69 3f0yE1 MET 147 HA -0.01 0.18 0.45 -0.75 4.52 4.38 3f0yE1 MET 147 HB2 -0.38 -0.05 -0.09 -0.04 2.15 1.59 3f0yE1 MET 147 HB3 -0.39 -0.06 -0.00 -0.04 2.03 1.54 3f0yE1 MET 147 HG2 -0.13 -0.01 -0.17 -0.04 2.63 2.28 3f0yE1 MET 147 HG3 0.21 -0.01 -0.18 -0.04 2.56 2.54 3f0yE1 MET 147 HE3 -0.10 -0.01 -0.20 -0.04 2.10 1.75 3f0yE1 MET 148 H -0.07 -0.03 0.05 -0.55 8.47 7.87 3f0yE1 MET 148 HA 0.06 0.16 0.71 -0.75 4.52 4.69 3f0yE1 MET 148 HB2 0.02 -0.07 0.10 -0.04 2.15 2.16 3f0yE1 MET 148 HB3 0.03 -0.02 0.07 -0.04 2.03 2.06 3f0yE1 MET 148 HG2 0.12 0.11 -0.04 -0.04 2.63 2.79 3f0yE1 MET 148 HG3 0.16 -0.10 0.02 -0.04 2.56 2.60 3f0yE1 MET 148 HE3 0.07 -0.05 -0.12 -0.04 2.10 1.95 3f0yE1 ASP 149 H 0.03 0.15 0.21 -0.55 8.40 8.24 3f0yE1 ASP 149 HA 0.01 0.21 0.50 -0.75 4.63 4.60 3f0yE1 ASP 149 HB2 0.01 -0.07 0.10 -0.04 2.71 2.71 3f0yE1 ASP 149 HB3 0.01 0.04 0.05 -0.04 2.70 2.76 3f0yE1 SER 150 H 0.00 -0.05 -0.13 -0.55 8.46 7.74 3f0yE1 SER 150 HA -0.00 0.12 0.41 -0.75 4.49 4.26 3f0yE1 SER 150 HB2 -0.01 0.02 0.02 -0.04 3.95 3.94 3f0yE1 SER 150 HB3 -0.01 0.01 0.06 -0.04 3.93 3.95 3f0yE1 SER 151 H -0.00 -0.02 -0.43 -0.55 8.46 7.46 3f0yE1 SER 151 HA -0.01 -0.01 0.65 -0.75 4.49 4.37 3f0yE1 SER 151 HB2 -0.03 0.22 0.09 -0.04 3.95 4.19 3f0yE1 SER 151 HB3 -0.03 0.04 0.13 -0.04 3.93 4.03 3f0yE1 GLU 152 H -0.01 0.16 -0.06 -0.55 8.60 8.15 3f0yE1 GLU 152 HA -0.01 0.07 0.33 -0.75 4.29 3.93 3f0yE1 GLU 152 HB2 -0.02 -0.14 0.29 -0.04 2.09 2.19 3f0yE1 GLU 152 HB3 -0.01 0.03 0.08 -0.04 1.99 2.04 3f0yE1 GLU 152 HG2 -0.01 0.01 0.10 -0.04 2.34 2.40 3f0yE1 GLU 152 HG3 -0.01 0.32 0.27 -0.04 2.34 2.88 3f0yE1 SER 153 H -0.03 0.21 0.09 -0.55 8.46 8.18 3f0yE1 SER 153 HA -0.03 0.16 0.34 -0.75 4.49 4.22 3f0yE1 SER 153 HB2 -0.03 -0.05 0.18 -0.04 3.95 4.00 3f0yE1 SER 153 HB3 -0.02 0.12 -0.04 -0.04 3.93 3.95 3f0yE1 ASN 154 H -0.05 0.16 0.06 -0.55 8.53 8.17 3f0yE1 ASN 154 HA -0.09 0.05 0.29 -0.75 4.76 4.27 3f0yE1 ASN 154 HB2 -0.06 0.02 0.06 -0.04 2.88 2.86 3f0yE1 ASN 154 HB3 -0.09 -0.13 -0.20 -0.04 2.79 2.32 3f0yE1 ASN 154 HD21 -0.05 0.02 -0.13 -0.04 7.03 6.83 3f0yE1 ASN 154 HD22 -0.06 0.65 -0.03 -0.04 7.74 8.26 3f0yE1 ASP 155 H -0.17 0.39 0.57 -0.55 8.40 8.64 3f0yE1 ASP 155 HA -0.10 0.19 1.01 -0.75 4.63 4.97 3f0yE1 ASP 155 HB2 -0.10 -0.16 0.26 -0.04 2.71 2.67 3f0yE1 ASP 155 HB3 -0.08 0.13 0.09 -0.04 2.70 2.80 3f0yE1 CYS 156 H -0.24 0.47 0.33 -0.55 8.50 8.52 3f0yE1 CYS 156 HA -0.23 0.11 0.66 -0.75 4.58 4.37 3f0yE1 CYS 156 HB2 -0.46 0.13 -0.12 -0.04 2.97 2.47 3f0yE1 CYS 156 HB3 -1.18 -0.01 -0.19 -0.04 2.97 1.55 3f0yE1 LYS 157 H -0.15 0.96 0.30 -0.55 8.42 8.97 3f0yE1 LYS 157 HA -0.13 -0.06 0.97 -0.75 4.32 4.35 3f0yE1 LYS 157 HB2 -0.10 -0.06 0.19 -0.04 1.87 1.85 3f0yE1 LYS 157 HB3 -0.12 0.10 -0.01 -0.04 1.79 1.72 3f0yE1 LYS 157 HG2 -0.09 0.02 -0.24 -0.04 1.46 1.11 3f0yE1 LYS 157 HG3 -0.08 -0.03 -0.12 -0.04 1.46 1.20 3f0yE1 LYS 157 HD2 -0.04 -0.11 -0.08 -0.04 1.69 1.42 3f0yE1 LYS 157 HD3 -0.07 0.12 -0.17 -0.04 1.68 1.52 3f0yE1 LYS 157 HE2 -0.05 -0.01 -0.35 -0.04 2.99 2.53 3f0yE1 LYS 157 HE3 -0.03 -0.10 -0.15 -0.04 2.99 2.67 3f0yE1 LEU 158 H -0.13 0.15 0.05 -0.55 8.37 7.89 3f0yE1 LEU 158 HA -0.14 0.14 0.88 -0.75 4.35 4.49 3f0yE1 LEU 158 HB2 -0.07 -0.08 -0.05 -0.04 1.64 1.40 3f0yE1 LEU 158 HB3 -0.05 0.02 0.08 -0.04 1.64 1.64 3f0yE1 LEU 158 HG 0.05 0.05 -0.36 -0.04 1.64 1.33 3f0yE1 LEU 158 HD13 0.17 0.04 -0.11 -0.04 0.93 0.98 3f0yE1 LEU 158 HD23 0.08 -0.01 -0.12 -0.04 0.89 0.81 3f0yE1 ILE 159 H -0.30 0.60 0.24 -0.55 8.25 8.25 3f0yE1 ILE 159 HA -0.18 0.18 0.86 -0.75 4.18 4.28 3f0yE1 ILE 159 HB -1.20 -0.07 0.12 -0.04 1.89 0.71 3f0yE1 ILE 159 HG12 -0.54 0.01 -0.14 -0.04 1.49 0.78 3f0yE1 ILE 159 HG13 -0.50 -0.02 -0.05 -0.04 1.21 0.59 3f0yE1 ILE 159 HG23 -0.05 0.05 -0.10 -0.04 0.93 0.79 3f0yE1 ILE 159 HD13 -0.20 0.03 -0.23 -0.04 0.88 0.45 3f0yE1 LEU 160 H 0.00 0.22 0.15 -0.55 8.37 8.19 3f0yE1 LEU 160 HA 0.17 0.31 1.04 -0.75 4.35 5.12 3f0yE1 LEU 160 HB2 0.13 -0.04 -0.16 -0.04 1.64 1.53 3f0yE1 LEU 160 HB3 0.10 -0.03 0.06 -0.04 1.64 1.73 3f0yE1 LEU 160 HG 0.16 0.04 -0.32 -0.04 1.64 1.47 3f0yE1 LEU 160 HD13 0.21 0.02 -0.13 -0.04 0.93 1.00 3f0yE1 LEU 160 HD23 0.18 -0.01 -0.12 -0.04 0.89 0.90 3f0yE1 THR 161 H 0.31 0.80 0.33 -0.55 8.28 9.17 3f0yE1 THR 161 HA 0.34 0.14 1.01 -0.75 4.39 5.12 3f0yE1 THR 161 HB 0.34 -0.02 0.14 -0.04 4.32 4.75 3f0yE1 THR 161 HG23 0.10 -0.00 -0.17 -0.04 1.22 1.11 3f0yE1 LEU 162 H 0.08 0.79 0.30 -0.55 8.37 8.99 3f0yE1 LEU 162 HA -0.03 0.24 1.02 -0.75 4.35 4.83 3f0yE1 LEU 162 HB2 -0.03 -0.03 0.23 -0.04 1.64 1.77 3f0yE1 LEU 162 HB3 0.13 0.05 0.00 -0.04 1.64 1.78 3f0yE1 LEU 162 HG 0.07 -0.04 -0.12 -0.04 1.64 1.51 3f0yE1 LEU 162 HD13 0.04 0.02 -0.08 -0.04 0.93 0.87 3f0yE1 LEU 162 HD23 0.07 0.00 -0.12 -0.04 0.89 0.80 3f0yE1 VAL 163 H -0.09 0.70 0.29 -0.55 8.24 8.59 3f0yE1 VAL 163 HA 0.06 0.33 1.16 -0.75 4.13 4.93 3f0yE1 VAL 163 HB -0.11 -0.07 0.12 -0.04 2.12 2.02 3f0yE1 VAL 163 HG13 -0.08 0.03 -0.14 -0.04 0.97 0.74 3f0yE1 VAL 163 HG23 -0.11 -0.02 -0.17 -0.04 0.95 0.61 3f0yE1 LYS 164 H 0.02 0.70 0.33 -0.55 8.42 8.92 3f0yE1 LYS 164 HA -0.17 0.14 0.74 -0.75 4.32 4.27 3f0yE1 LYS 164 HB2 -0.17 -0.05 0.27 -0.04 1.87 1.89 3f0yE1 LYS 164 HB3 -0.19 -0.03 0.05 -0.04 1.79 1.59 3f0yE1 LYS 164 HG2 -0.47 0.13 0.01 -0.04 1.46 1.09 3f0yE1 LYS 164 HG3 -0.77 -0.01 -0.00 -0.04 1.46 0.63 3f0yE1 LYS 164 HD2 -0.47 0.00 0.03 -0.04 1.69 1.21 3f0yE1 LYS 164 HD3 -0.35 -0.08 -0.02 -0.04 1.68 1.19 3f0yE1 LYS 164 HE2 -0.66 0.09 -0.27 -0.04 2.99 2.11 3f0yE1 LYS 164 HE3 -2.46 -0.00 -0.23 -0.04 2.99 0.26 3f0yE1 THR 165 H -0.10 0.90 0.25 -0.55 8.28 8.78 3f0yE1 THR 165 HA -0.04 0.08 0.83 -0.75 4.39 4.50 3f0yE1 THR 165 HB 0.02 -0.04 0.02 -0.04 4.32 4.28 3f0yE1 THR 165 HG23 0.05 -0.02 -0.05 -0.04 1.22 1.16 3f0yE1 GLY 166 H -0.05 0.15 0.02 -0.55 8.43 8.00 3f0yE1 GLY 166 HA2 -0.04 0.04 0.34 -0.51 4.01 3.83 3f0yE1 GLY 166 HA3 -0.03 -0.01 0.56 -0.51 4.01 4.02 3f0yE1 ALA 167 H -0.02 0.09 0.21 -0.55 8.40 8.14 3f0yE1 ALA 167 HA -0.03 0.12 0.44 -0.75 4.34 4.11 3f0yE1 ALA 167 HB3 -0.00 -0.01 0.13 -0.04 1.41 1.49 3f0yE1 LEU 168 H -0.02 0.39 -0.45 -0.55 8.37 7.74 3f0yE1 LEU 168 HA -0.01 0.19 0.93 -0.75 4.35 4.70 3f0yE1 LEU 168 HB2 0.09 0.09 -0.00 -0.04 1.64 1.77 3f0yE1 LEU 168 HB3 0.11 -0.02 -0.00 -0.04 1.64 1.69 3f0yE1 LEU 168 HG 0.03 -0.11 -0.09 -0.04 1.64 1.43 3f0yE1 LEU 168 HD13 0.04 -0.01 -0.06 -0.04 0.93 0.87 3f0yE1 LEU 168 HD23 0.08 0.00 -0.25 -0.04 0.89 0.68 3f0yE1 VAL 169 H -0.34 0.63 0.34 -0.55 8.24 8.32 3f0yE1 VAL 169 HA -0.26 0.25 0.92 -0.75 4.13 4.29 3f0yE1 VAL 169 HB -1.40 -0.05 0.06 -0.04 2.12 0.69 3f0yE1 VAL 169 HG13 -0.39 -0.03 -0.34 -0.04 0.97 0.17 3f0yE1 VAL 169 HG23 -0.14 0.06 -0.12 -0.04 0.95 0.71 3f0yE1 THR 170 H -0.28 0.75 0.25 -0.55 8.28 8.45 3f0yE1 THR 170 HA -1.06 0.11 0.90 -0.75 4.39 3.59 3f0yE1 THR 170 HB -0.25 -0.03 0.19 -0.04 4.32 4.19 3f0yE1 THR 170 HG23 -0.40 -0.01 -0.13 -0.04 1.22 0.64 3f0yE1 ALA 171 H -0.76 0.83 0.36 -0.55 8.40 8.28 3f0yE1 ALA 171 HA -0.25 0.23 0.97 -0.75 4.34 4.53 3f0yE1 ALA 171 HB3 -1.16 -0.02 -0.03 -0.04 1.41 0.16 3f0yE1 PHE 172 H 0.11 0.63 0.34 -0.55 8.34 8.86 3f0yE1 PHE 172 HA 0.01 0.21 0.88 -0.75 4.62 4.97 3f0yE1 PHE 172 HB2 -0.03 -0.00 -0.13 -0.04 3.15 2.94 3f0yE1 PHE 172 HB3 0.06 0.03 0.20 -0.04 3.06 3.31 3f0yE1 PHE 172 HD2 0.14 -0.04 -0.14 -0.04 7.28 7.21 3f0yE1 PHE 172 HE2 0.26 -0.01 -0.12 -0.04 7.38 7.47 3f0yE1 PHE 172 HZ 0.10 -0.00 -0.08 -0.04 7.32 7.30 3f0yE1 VAL 173 H -0.01 0.66 0.35 -0.55 8.24 8.69 3f0yE1 VAL 173 HA 0.16 0.39 1.21 -0.75 4.13 5.13 3f0yE1 VAL 173 HB 0.33 -0.05 -0.26 -0.04 2.12 2.09 3f0yE1 VAL 173 HG13 0.50 0.03 -0.08 -0.04 0.97 1.38 3f0yE1 VAL 173 HG23 0.42 -0.01 -0.09 -0.04 0.95 1.23 3f0yE1 TYR 174 H 0.00 0.67 0.39 -0.55 8.29 8.80 3f0yE1 TYR 174 HA 0.33 0.09 0.21 -0.75 4.56 4.44 3f0yE1 TYR 174 HB2 0.09 0.13 0.06 -0.04 3.06 3.29 3f0yE1 TYR 174 HB3 0.07 0.08 -0.15 -0.04 2.98 2.95 3f0yE1 TYR 174 HD2 -0.13 0.01 -0.25 -0.04 7.15 6.74 3f0yE1 TYR 174 HE2 0.19 -0.00 -0.11 -0.04 6.85 6.88 3f0yE1 VAL 175 H 0.12 0.21 0.21 -0.55 8.24 8.22 3f0yE1 VAL 175 HA -0.17 0.00 1.11 -0.75 4.13 4.32 3f0yE1 VAL 175 HB -0.22 0.00 -0.10 -0.04 2.12 1.75 3f0yE1 VAL 175 HG13 -0.56 0.01 -0.25 -0.04 0.97 0.12 3f0yE1 VAL 175 HG23 -0.22 0.00 -0.09 -0.04 0.95 0.61 3f0yE1 ILE 176 H -0.10 0.68 0.30 -0.55 8.25 8.57 3f0yE1 ILE 176 HA 0.09 0.21 0.99 -0.75 4.18 4.71 3f0yE1 ILE 176 HB -0.03 -0.07 0.20 -0.04 1.89 1.96 3f0yE1 ILE 176 HG12 0.18 0.06 -0.01 -0.04 1.49 1.68 3f0yE1 ILE 176 HG13 0.11 -0.11 -0.35 -0.04 1.21 0.81 3f0yE1 ILE 176 HG23 0.04 0.05 -0.08 -0.04 0.93 0.90 3f0yE1 ILE 176 HD13 0.11 0.01 -0.04 -0.04 0.88 0.92 3f0yE1 GLY 177 H 0.13 0.69 0.18 -0.55 8.43 8.89 3f0yE1 GLY 177 HA2 0.03 -0.07 0.51 -0.51 4.01 3.97 3f0yE1 GLY 177 HA3 0.33 -0.02 0.35 -0.51 4.01 4.16 3f0yE1 VAL 178 H -0.03 0.38 0.45 -0.55 8.24 8.49 3f0yE1 VAL 178 HA 0.00 0.25 0.93 -0.75 4.13 4.56 3f0yE1 VAL 178 HB -0.08 -0.11 -0.25 -0.04 2.12 1.64 3f0yE1 VAL 178 HG13 -0.03 -0.00 -0.13 -0.04 0.97 0.76 3f0yE1 VAL 178 HG23 -0.07 0.01 -0.22 -0.04 0.95 0.63 3f0yE1 SER 179 H -0.02 0.39 0.34 -0.55 8.46 8.63 3f0yE1 SER 179 HA 0.00 0.17 0.53 -0.75 4.49 4.44 3f0yE1 SER 179 HB2 0.01 0.02 0.19 -0.04 3.95 4.12 3f0yE1 SER 179 HB3 -0.02 0.12 0.28 -0.04 3.93 4.26 3f0yE1 ASN 180 H 0.02 0.18 0.21 -0.55 8.53 8.40 3f0yE1 ASN 180 HA 0.02 0.19 0.42 -0.75 4.76 4.64 3f0yE1 ASN 180 HB2 0.01 -0.06 0.14 -0.04 2.88 2.94 3f0yE1 ASN 180 HB3 0.01 0.07 0.03 -0.04 2.79 2.86 3f0yE1 ASN 180 HD21 0.00 0.05 0.04 -0.04 7.03 7.08 3f0yE1 ASN 180 HD22 0.01 -0.01 0.04 -0.04 7.74 7.74 3f0yE1 ASN 181 H 0.03 0.08 -0.07 -0.55 8.53 8.02 3f0yE1 ASN 181 HA 0.04 0.13 0.35 -0.75 4.76 4.52 3f0yE1 ASN 181 HB2 0.03 -0.07 0.06 -0.04 2.88 2.86 3f0yE1 ASN 181 HB3 0.03 0.05 -0.06 -0.04 2.79 2.76 3f0yE1 ASN 181 HD21 0.01 0.06 -0.01 -0.04 7.03 7.05 3f0yE1 ASN 181 HD22 0.01 0.00 -0.03 -0.04 7.74 7.68 3f0yE1 PHE 182 H 0.14 0.04 -0.26 -0.55 8.34 7.70 3f0yE1 PHE 182 HA -0.11 0.09 0.46 -0.75 4.62 4.31 3f0yE1 PHE 182 HB2 -0.12 -0.08 0.12 -0.04 3.15 3.03 3f0yE1 PHE 182 HB3 -0.11 0.09 0.18 -0.04 3.06 3.19 3f0yE1 PHE 182 HD2 -0.21 -0.04 -0.03 -0.04 7.28 6.96 3f0yE1 PHE 182 HE2 -0.70 0.06 -0.13 -0.04 7.38 6.57 3f0yE1 PHE 182 HZ -1.02 0.02 -0.16 -0.04 7.32 6.12 3f0yE1 ASN 183 H 0.08 0.59 -0.11 -0.55 8.53 8.55 3f0yE1 ASN 183 HA -0.12 -0.12 0.45 -0.75 4.76 4.22 3f0yE1 ASN 183 HB2 0.02 0.11 0.07 -0.04 2.88 3.04 3f0yE1 ASN 183 HB3 -0.00 0.14 -0.08 -0.04 2.79 2.81 3f0yE1 ASN 183 HD21 0.05 0.08 -0.35 -0.04 7.03 6.77 3f0yE1 ASN 183 HD22 0.03 0.03 -0.20 -0.04 7.74 7.56 3f0yE1 MET 184 H -0.01 0.48 -0.36 -0.55 8.47 8.03 3f0yE1 MET 184 HA -0.02 0.06 0.42 -0.75 4.52 4.22 3f0yE1 MET 184 HB2 0.05 0.08 0.05 -0.04 2.15 2.29 3f0yE1 MET 184 HB3 0.06 -0.07 0.06 -0.04 2.03 2.04 3f0yE1 MET 184 HG2 0.00 0.15 -0.01 -0.04 2.63 2.73 3f0yE1 MET 184 HG3 0.01 -0.07 -0.05 -0.04 2.56 2.40 3f0yE1 MET 184 HE3 -0.05 -0.03 -0.00 -0.04 2.10 1.98 3f0yE1 LEU 185 H -0.11 0.42 -0.55 -0.55 8.37 7.58 3f0yE1 LEU 185 HA 0.22 0.04 0.49 -0.75 4.35 4.34 3f0yE1 LEU 185 HB2 -0.27 0.11 0.04 -0.04 1.64 1.48 3f0yE1 LEU 185 HB3 -0.02 -0.06 -0.01 -0.04 1.64 1.51 3f0yE1 LEU 185 HG -0.20 0.14 0.16 -0.04 1.64 1.70 3f0yE1 LEU 185 HD13 -0.58 -0.03 -0.01 -0.04 0.93 0.27 3f0yE1 LEU 185 HD23 -0.15 -0.03 0.00 -0.04 0.89 0.67 3f0yE1 THR 186 H -0.08 0.35 -0.37 -0.55 8.28 7.63 3f0yE1 THR 186 HA -0.16 0.11 0.40 -0.75 4.39 3.99 3f0yE1 THR 186 HB -0.55 -0.06 -0.01 -0.04 4.32 3.65 3f0yE1 THR 186 HG23 -0.57 0.01 -0.03 -0.04 1.22 0.58 3f0yE1 THR 187 H -0.01 0.42 -0.60 -0.55 8.28 7.55 3f0yE1 THR 187 HA -0.13 0.30 0.61 -0.75 4.39 4.40 3f0yE1 THR 187 HB -0.23 -0.11 0.01 -0.04 4.32 3.95 3f0yE1 THR 187 HG23 -0.10 -0.03 -0.32 -0.04 1.22 0.73 3f0yE1 TYR 188 H 0.25 0.42 -0.27 -0.55 8.29 8.14 3f0yE1 TYR 188 HA 0.06 0.13 0.86 -0.75 4.56 4.85 3f0yE1 TYR 188 HB2 0.06 0.13 0.02 -0.04 3.06 3.23 3f0yE1 TYR 188 HB3 0.03 -0.11 0.04 -0.04 2.98 2.90 3f0yE1 TYR 188 HD2 0.00 0.01 0.06 -0.04 7.15 7.18 3f0yE1 TYR 188 HE2 -0.01 -0.00 -0.09 -0.04 6.85 6.71 3f0yE1 ARG 189 H 0.22 0.11 0.11 -0.55 8.46 8.35 3f0yE1 ARG 189 HA 0.45 0.21 0.56 -0.75 4.34 4.80 3f0yE1 ARG 189 HB2 0.20 0.14 -0.33 -0.04 1.90 1.88 3f0yE1 ARG 189 HB3 0.14 -0.09 -0.22 -0.04 1.80 1.58 3f0yE1 ARG 189 HG2 0.13 -0.12 0.01 -0.04 1.67 1.65 3f0yE1 ARG 189 HG3 0.12 0.08 -0.16 -0.04 1.67 1.67 3f0yE1 ARG 189 HD2 0.08 0.25 -0.06 -0.04 3.22 3.45 3f0yE1 ARG 189 HD3 0.07 -0.08 0.01 -0.04 3.22 3.19 3f0yE1 ASN 190 H 0.13 0.05 -0.09 -0.55 8.53 8.08 3f0yE1 ASN 190 HA -0.07 0.34 0.97 -0.75 4.76 5.24 3f0yE1 ASN 190 HB2 0.04 0.02 -0.05 -0.04 2.88 2.85 3f0yE1 ASN 190 HB3 -0.01 -0.06 0.18 -0.04 2.79 2.86 3f0yE1 ASN 190 HD21 -0.03 -0.01 -0.03 -0.04 7.03 6.92 3f0yE1 ASN 190 HD22 -0.01 -0.03 -0.00 -0.04 7.74 7.66 3f0yE1 ILE 191 H -0.85 0.56 0.21 -0.55 8.25 7.63 3f0yE1 ILE 191 HA -0.36 0.14 0.95 -0.75 4.18 4.16 3f0yE1 ILE 191 HB -2.19 0.01 -0.04 -0.04 1.89 -0.38 3f0yE1 ILE 191 HG12 -0.15 -0.15 -0.54 -0.04 1.49 0.61 3f0yE1 ILE 191 HG13 -0.05 0.20 -0.05 -0.04 1.21 1.27 3f0yE1 ILE 191 HG23 -0.39 -0.02 -0.20 -0.04 0.93 0.27 3f0yE1 ILE 191 HD13 -0.29 0.03 0.04 -0.04 0.88 0.62 3f0yE1 ASN 192 H -0.21 0.26 0.21 -0.55 8.53 8.24 3f0yE1 ASN 192 HA -0.33 0.28 0.58 -0.75 4.76 4.53 3f0yE1 ASN 192 HB2 -0.13 0.07 0.08 -0.04 2.88 2.86 3f0yE1 ASN 192 HB3 -0.17 0.02 0.05 -0.04 2.79 2.65 3f0yE1 ASN 192 HD21 -0.07 -0.01 -0.05 -0.04 7.03 6.85 3f0yE1 ASN 192 HD22 -0.12 0.02 -0.18 -0.04 7.74 7.42 3f0yE1 PHE 193 H -0.43 0.69 0.32 -0.55 8.34 8.38 3f0yE1 PHE 193 HA 0.05 0.12 0.60 -0.75 4.62 4.64 3f0yE1 PHE 193 HB2 0.17 0.01 -0.01 -0.04 3.15 3.28 3f0yE1 PHE 193 HB3 0.07 0.04 -0.01 -0.04 3.06 3.12 3f0yE1 PHE 193 HD2 0.07 0.01 -0.30 -0.04 7.28 7.01 3f0yE1 PHE 193 HE2 -0.42 0.01 -0.18 -0.04 7.38 6.75 3f0yE1 PHE 193 HZ -0.14 0.01 -0.17 -0.04 7.32 6.98 3f0yE1 THR 194 H 0.26 0.28 0.18 -0.55 8.28 8.46 3f0yE1 THR 194 HA 0.21 0.35 1.17 -0.75 4.39 5.37 3f0yE1 THR 194 HB 0.09 -0.01 0.04 -0.04 4.32 4.39 3f0yE1 THR 194 HG23 0.01 -0.02 -0.40 -0.04 1.22 0.78 3f0yE1 ALA 195 H 0.32 0.72 0.32 -0.55 8.40 9.22 3f0yE1 ALA 195 HA 0.14 0.11 0.88 -0.75 4.34 4.72 3f0yE1 ALA 195 HB3 0.32 -0.01 0.06 -0.04 1.41 1.74 3f0yE1 GLU 196 H -0.00 0.23 0.15 -0.55 8.60 8.43 3f0yE1 GLU 196 HA -0.23 0.19 0.97 -0.75 4.29 4.46 3f0yE1 GLU 196 HB2 -0.04 0.03 0.19 -0.04 2.09 2.23 3f0yE1 GLU 196 HB3 -0.57 0.03 -0.02 -0.04 1.99 1.40 3f0yE1 GLU 196 HG2 -0.05 0.01 -0.08 -0.04 2.34 2.18 3f0yE1 GLU 196 HG3 0.02 0.00 -0.15 -0.04 2.34 2.18 3f0yE1 LEU 197 H -0.34 0.79 0.31 -0.55 8.37 8.57 3f0yE1 LEU 197 HA -0.34 0.06 0.95 -0.75 4.35 4.27 3f0yE1 LEU 197 HB2 0.05 -0.01 0.22 -0.04 1.64 1.87 3f0yE1 LEU 197 HB3 -0.22 0.01 -0.01 -0.04 1.64 1.38 3f0yE1 LEU 197 HG -0.01 0.10 -0.20 -0.04 1.64 1.48 3f0yE1 LEU 197 HD13 0.18 0.00 -0.09 -0.04 0.93 0.97 3f0yE1 LEU 197 HD23 -0.04 0.01 -0.17 -0.04 0.89 0.66 3f0yE1 PHE 198 H -0.30 0.22 0.14 -0.55 8.34 7.85 3f0yE1 PHE 198 HA 0.01 0.33 1.04 -0.75 4.62 5.24 3f0yE1 PHE 198 HB2 -0.09 -0.01 0.06 -0.04 3.15 3.06 3f0yE1 PHE 198 HB3 -0.02 -0.03 0.01 -0.04 3.06 2.98 3f0yE1 PHE 198 HD2 0.01 0.06 -0.23 -0.04 7.28 7.07 3f0yE1 PHE 198 HE2 0.02 0.14 -0.06 -0.04 7.38 7.44 3f0yE1 PHE 198 HZ 0.01 0.01 -0.07 -0.04 7.32 7.23 3f0yE1 PHE 199 H 0.42 0.70 0.34 -0.55 8.34 9.25 3f0yE1 PHE 199 HA 0.15 0.20 0.89 -0.75 4.62 5.11 3f0yE1 PHE 199 HB2 0.32 -0.03 -0.06 -0.04 3.15 3.34 3f0yE1 PHE 199 HB3 0.17 -0.05 -0.31 -0.04 3.06 2.83 3f0yE1 PHE 199 HD2 0.11 0.02 -0.51 -0.04 7.28 6.86 3f0yE1 PHE 199 HE2 0.02 0.00 -0.18 -0.04 7.38 7.18 3f0yE1 PHE 199 HZ 0.04 0.01 -0.16 -0.04 7.32 7.17 3f0yE1 ASP 200 H 0.24 0.60 0.22 -0.55 8.40 8.91 3f0yE1 ASP 200 HA 0.12 0.32 0.77 -0.75 4.63 5.08 3f0yE1 ASP 200 HB2 0.08 -0.05 0.25 -0.04 2.71 2.95 3f0yE1 ASP 200 HB3 0.08 0.08 0.14 -0.04 2.70 2.97 3f0yE1 SER 201 H 0.08 0.24 0.17 -0.55 8.46 8.40 3f0yE1 SER 201 HA 0.14 0.14 0.36 -0.75 4.49 4.38 3f0yE1 SER 201 HB2 0.06 0.05 0.07 -0.04 3.95 4.10 3f0yE1 SER 201 HB3 0.02 0.08 0.11 -0.04 3.93 4.10 3f0yE1 ALA 202 H 0.14 -0.01 -0.35 -0.55 8.40 7.63 3f0yE1 ALA 202 HA 0.11 0.21 0.71 -0.75 4.34 4.62 3f0yE1 ALA 202 HB3 0.08 -0.00 0.04 -0.04 1.41 1.49 3f0yE1 GLY 203 H 0.25 0.55 -0.38 -0.55 8.43 8.31 3f0yE1 GLY 203 HA2 0.10 0.09 0.10 -0.51 4.01 3.79 3f0yE1 GLY 203 HA3 0.02 0.10 0.14 -0.51 4.01 3.76 3f0yE1 ASN 204 H 0.18 -0.08 -0.24 -0.55 8.53 7.86 3f0yE1 ASN 204 HA 0.17 0.21 0.75 -0.75 4.76 5.14 3f0yE1 ASN 204 HB2 0.11 -0.13 0.02 -0.04 2.88 2.84 3f0yE1 ASN 204 HB3 0.08 0.13 -0.02 -0.04 2.79 2.94 3f0yE1 ASN 204 HD21 0.06 0.05 -0.06 -0.04 7.03 7.04 3f0yE1 ASN 204 HD22 0.08 -0.11 -0.06 -0.04 7.74 7.60 3f0yE1 LEU 205 H 0.18 0.16 0.14 -0.55 8.37 8.31 3f0yE1 LEU 205 HA -0.28 0.16 0.45 -0.75 4.35 3.92 3f0yE1 LEU 205 HB2 0.05 0.01 0.10 -0.04 1.64 1.76 3f0yE1 LEU 205 HB3 0.00 -0.05 0.11 -0.04 1.64 1.66 3f0yE1 LEU 205 HG -0.11 -0.03 -0.44 -0.04 1.64 1.02 3f0yE1 LEU 205 HD13 -0.52 0.06 -0.01 -0.04 0.93 0.41 3f0yE1 LEU 205 HD23 -0.04 0.02 -0.18 -0.04 0.89 0.65 3f0yE1 LEU 206 H -0.10 0.81 0.36 -0.55 8.37 8.89 3f0yE1 LEU 206 HA 0.01 0.07 0.76 -0.75 4.35 4.44 3f0yE1 LEU 206 HB2 0.06 0.03 0.11 -0.04 1.64 1.80 3f0yE1 LEU 206 HB3 0.01 -0.08 0.05 -0.04 1.64 1.58 3f0yE1 LEU 206 HG 0.06 0.03 -0.10 -0.04 1.64 1.59 3f0yE1 LEU 206 HD13 0.05 0.03 -0.34 -0.04 0.93 0.63 3f0yE1 LEU 206 HD23 0.02 0.01 -0.03 -0.04 0.89 0.85 3f0yE1 THR 207 H -0.01 0.27 0.02 -0.55 8.28 8.02 3f0yE1 THR 207 HA -0.03 0.23 0.21 -0.75 4.39 4.05 3f0yE1 THR 207 HB -0.02 0.14 -0.01 -0.04 4.32 4.40 3f0yE1 THR 207 HG23 -0.02 0.04 -0.30 -0.04 1.22 0.91 3f0yE1 SER 208 H -0.00 -0.00 -0.15 -0.55 8.46 7.76 3f0yE1 SER 208 HA -0.00 0.16 0.48 -0.75 4.49 4.37 3f0yE1 SER 208 HB2 -0.01 0.04 0.05 -0.04 3.95 3.98 3f0yE1 SER 208 HB3 -0.01 -0.01 0.07 -0.04 3.93 3.94 3f0yE1 LEU 209 H 0.02 0.11 -0.36 -0.55 8.37 7.59 3f0yE1 LEU 209 HA 0.02 0.16 0.67 -0.75 4.35 4.44 3f0yE1 LEU 209 HB2 0.08 0.05 -0.01 -0.04 1.64 1.71 3f0yE1 LEU 209 HB3 -0.14 -0.04 0.03 -0.04 1.64 1.45 3f0yE1 LEU 209 HG -0.02 -0.10 -0.09 -0.04 1.64 1.39 3f0yE1 LEU 209 HD13 -0.13 -0.02 -0.08 -0.04 0.93 0.66 3f0yE1 LEU 209 HD23 -0.07 0.02 -0.15 -0.04 0.89 0.65 3f0yE1 SER 210 H 0.06 0.20 -0.09 -0.55 8.46 8.08 3f0yE1 SER 210 HA 0.13 0.12 0.63 -0.75 4.49 4.61 3f0yE1 SER 210 HB2 -0.05 0.23 0.06 -0.04 3.95 4.16 3f0yE1 SER 210 HB3 -0.12 -0.08 0.32 -0.04 3.93 4.01 3f0yE1 SER 211 H -0.03 0.51 0.35 -0.55 8.46 8.73 3f0yE1 SER 211 HA 0.00 0.22 0.58 -0.75 4.49 4.53 3f0yE1 SER 211 HB2 0.01 -0.11 0.10 -0.04 3.95 3.91 3f0yE1 SER 211 HB3 0.01 -0.01 -0.02 -0.04 3.93 3.87 3f0yE1 LEU 212 H -0.04 0.06 -0.05 -0.55 8.37 7.81 3f0yE1 LEU 212 HA -0.04 0.05 0.71 -0.75 4.35 4.31 3f0yE1 LEU 212 HB2 -0.01 -0.07 0.05 -0.04 1.64 1.56 3f0yE1 LEU 212 HB3 -0.04 -0.04 0.09 -0.04 1.64 1.61 3f0yE1 LEU 212 HG -0.03 0.14 -0.13 -0.04 1.64 1.58 3f0yE1 LEU 212 HD13 -0.04 0.06 0.08 -0.04 0.93 0.98 3f0yE1 LEU 212 HD23 0.02 -0.02 -0.05 -0.04 0.89 0.80 3f0yE1 LYS 213 H -0.04 0.71 0.45 -0.55 8.42 8.98 3f0yE1 LYS 213 HA -0.03 0.23 0.59 -0.75 4.32 4.37 3f0yE1 LYS 213 HB2 -0.04 -0.02 -0.01 -0.04 1.87 1.76 3f0yE1 LYS 213 HB3 -0.03 -0.06 0.09 -0.04 1.79 1.75 3f0yE1 LYS 213 HG2 -0.04 0.02 -0.01 -0.04 1.46 1.39 3f0yE1 LYS 213 HG3 -0.03 -0.13 -0.07 -0.04 1.46 1.19 3f0yE1 LYS 213 HD2 -0.02 -0.10 -0.03 -0.04 1.69 1.51 3f0yE1 LYS 213 HD3 -0.02 0.23 -0.29 -0.04 1.68 1.56 3f0yE1 LYS 213 HE2 -0.02 -0.05 0.02 -0.04 2.99 2.90 3f0yE1 LYS 213 HE3 -0.02 -0.16 -0.05 -0.04 2.99 2.72 3f0yE1 THR 214 H -0.04 0.14 0.01 -0.55 8.28 7.84 3f0yE1 THR 214 HA -0.02 0.19 0.94 -0.75 4.39 4.74 3f0yE1 THR 214 HB -0.05 -0.03 0.13 -0.04 4.32 4.33 3f0yE1 THR 214 HG23 -0.03 0.06 -0.00 -0.04 1.22 1.20 3f0yE1 PRO 215 HA 0.01 -0.05 0.43 -0.51 4.44 4.31 3f0yE1 PRO 215 HB2 -0.00 0.11 -0.02 -0.04 2.28 2.33 3f0yE1 PRO 215 HB3 0.01 -0.04 0.13 -0.04 2.02 2.08 3f0yE1 PRO 215 HG2 -0.00 0.03 0.09 -0.04 2.03 2.11 3f0yE1 PRO 215 HG3 0.00 -0.01 0.09 -0.04 2.03 2.07 3f0yE1 PRO 215 HD2 -0.01 0.10 0.20 -0.04 3.68 3.93 3f0yE1 PRO 215 HD3 -0.01 0.18 0.23 -0.04 3.65 4.01 3f0yE1 LEU 216 H 0.04 -0.03 0.18 -0.55 8.37 8.01 3f0yE1 LEU 216 HA 0.02 0.25 0.66 -0.75 4.35 4.53 3f0yE1 LEU 216 HB2 0.02 -0.08 0.03 -0.04 1.64 1.57 3f0yE1 LEU 216 HB3 0.01 0.01 -0.05 -0.04 1.64 1.57 3f0yE1 LEU 216 HG 0.09 -0.05 -0.00 -0.04 1.64 1.63 3f0yE1 LEU 216 HD13 0.17 0.00 -0.12 -0.04 0.93 0.94 3f0yE1 LEU 216 HD23 0.07 0.00 -0.21 -0.04 0.89 0.71 3f0yE1 ASN 217 H 0.09 0.59 0.37 -0.55 8.53 9.03 3f0yE1 ASN 217 HA -0.18 0.05 0.36 -0.75 4.76 4.24 3f0yE1 ASN 217 HB2 0.00 0.09 -0.24 -0.04 2.88 2.69 3f0yE1 ASN 217 HB3 0.06 -0.01 0.05 -0.04 2.79 2.85 3f0yE1 ASN 217 HD21 -0.01 0.36 -0.25 -0.04 7.03 7.09 3f0yE1 ASN 217 HD22 -0.01 0.03 -0.13 -0.04 7.74 7.58 3f0yE1 HIS 218 H -0.13 0.05 0.11 -0.55 8.41 7.90 3f0yE1 HIS 218 HA -0.08 0.50 0.60 -0.75 4.63 4.89 3f0yE1 HIS 218 HB2 0.01 -0.14 0.04 -0.04 3.26 3.13 3f0yE1 HIS 218 HB3 -0.04 0.14 0.08 -0.04 3.20 3.33 3f0yE1 HIS 218 HD2 0.03 -0.01 0.04 -0.04 6.97 6.98 3f0yE1 HIS 218 HE1 0.22 0.25 0.02 -0.04 7.75 8.20 3f0yE1 LYS 219 H -0.14 0.41 0.29 -0.55 8.42 8.43 3f0yE1 LYS 219 HA -0.01 0.16 0.54 -0.75 4.32 4.26 3f0yE1 LYS 219 HB2 -0.85 0.01 0.13 -0.04 1.87 1.12 3f0yE1 LYS 219 HB3 -0.27 -0.08 0.25 -0.04 1.79 1.65 3f0yE1 LYS 219 HG2 -0.09 -0.18 -0.20 -0.04 1.46 0.95 3f0yE1 LYS 219 HG3 -0.29 0.21 0.01 -0.04 1.46 1.34 3f0yE1 LYS 219 HD2 -0.52 0.02 -0.02 -0.04 1.69 1.13 3f0yE1 LYS 219 HD3 -0.25 -0.07 -0.02 -0.04 1.68 1.30 3f0yE1 LYS 219 HE2 -0.12 -0.02 -0.03 -0.04 2.99 2.77 3f0yE1 LYS 219 HE3 -0.07 -0.12 -0.02 -0.04 2.99 2.74 3f0yE1 SER 220 H 0.37 0.85 0.05 -0.55 8.46 9.19 3f0yE1 SER 220 HA 0.08 0.04 0.48 -0.75 4.49 4.34 3f0yE1 SER 220 HB2 0.11 -0.05 -0.22 -0.04 3.95 3.75 3f0yE1 SER 220 HB3 0.14 0.11 -0.37 -0.04 3.93 3.77 3f0yE1 GLY 221 H 0.07 0.13 -0.04 -0.55 8.43 8.05 3f0yE1 GLY 221 HA2 0.09 0.05 0.31 -0.51 4.01 3.94 3f0yE1 GLY 221 HA3 0.10 0.04 0.58 -0.51 4.01 4.23 3f0yE1 GLN 222 H 0.13 0.15 0.19 -0.55 8.47 8.39 3f0yE1 GLN 222 HA 0.38 0.14 0.67 -0.75 4.36 4.80 3f0yE1 GLN 222 HB2 0.06 0.04 0.09 -0.04 2.15 2.29 3f0yE1 GLN 222 HB3 0.05 0.00 0.17 -0.04 2.02 2.21 3f0yE1 GLN 222 HG2 0.10 -0.08 -0.00 -0.04 2.40 2.38 3f0yE1 GLN 222 HG3 0.07 0.03 0.01 -0.04 2.39 2.47 3f0yE1 GLN 222 HE21 0.14 0.02 -0.09 -0.04 6.97 7.00 3f0yE1 GLN 222 HE22 0.12 -0.07 -0.20 -0.04 7.69 7.50 3f0yE1 ASN 223 H 0.23 0.42 -0.37 -0.55 8.53 8.26 3f0yE1 ASN 223 HA -0.12 0.12 0.85 -0.75 4.76 4.86 3f0yE1 ASN 223 HB2 0.08 0.15 0.04 -0.04 2.88 3.11 3f0yE1 ASN 223 HB3 0.01 0.00 0.14 -0.04 2.79 2.91 3f0yE1 ASN 223 HD21 0.02 -0.02 -0.02 -0.04 7.03 6.97 3f0yE1 ASN 223 HD22 0.04 0.05 0.01 -0.04 7.74 7.81 3f0yE1 MET 224 H -0.02 0.14 0.10 -0.55 8.47 8.14 3f0yE1 MET 224 HA 0.41 0.25 0.65 -0.75 4.52 5.09 3f0yE1 MET 224 HB2 0.01 -0.05 0.03 -0.04 2.15 2.10 3f0yE1 MET 224 HB3 0.08 0.09 -0.00 -0.04 2.03 2.15 3f0yE1 MET 224 HG2 -0.05 0.02 -0.30 -0.04 2.63 2.26 3f0yE1 MET 224 HG3 -0.19 -0.02 -0.37 -0.04 2.56 1.94 3f0yE1 MET 224 HE3 -0.06 -0.06 0.01 -0.04 2.10 1.96 3f0yE1 ALA 225 H 0.20 0.61 0.02 -0.55 8.40 8.68 3f0yE1 ALA 225 HA 0.09 0.05 0.53 -0.75 4.34 4.26 3f0yE1 ALA 225 HB3 0.12 -0.05 -0.04 -0.04 1.41 1.40 3f0yE1 THR 226 H 0.05 0.03 0.13 -0.55 8.28 7.94 3f0yE1 THR 226 HA 0.03 0.29 0.85 -0.75 4.39 4.80 3f0yE1 THR 226 HB 0.02 0.00 0.11 -0.04 4.32 4.42 3f0yE1 THR 226 HG23 0.02 0.02 -0.11 -0.04 1.22 1.11 3f0yE1 GLY 227 H 0.05 -0.06 -0.03 -0.55 8.43 7.84 3f0yE1 GLY 227 HA2 0.03 0.14 0.50 -0.51 4.01 4.17 3f0yE1 GLY 227 HA3 0.05 -0.03 0.35 -0.51 4.01 3.87 3f0yE1 ALA 228 H 0.05 0.06 0.13 -0.55 8.40 8.09 3f0yE1 ALA 228 HA 0.03 0.14 0.57 -0.75 4.34 4.33 3f0yE1 ALA 228 HB3 0.04 0.01 0.04 -0.04 1.41 1.46 3f0yE1 ILE 229 H 0.03 0.14 0.12 -0.55 8.25 7.99 3f0yE1 ILE 229 HA 0.01 0.12 0.68 -0.75 4.18 4.23 3f0yE1 ILE 229 HB 0.01 -0.08 0.10 -0.04 1.89 1.88 3f0yE1 ILE 229 HG12 -0.27 -0.01 -0.04 -0.04 1.49 1.12 3f0yE1 ILE 229 HG13 -0.06 -0.02 0.02 -0.04 1.21 1.11 3f0yE1 ILE 229 HG23 -0.12 0.02 -0.23 -0.04 0.93 0.56 3f0yE1 ILE 229 HD13 -0.07 0.07 0.00 -0.04 0.88 0.84 3f0yE1 THR 230 H 0.52 0.21 0.12 -0.55 8.28 8.58 3f0yE1 THR 230 HA 0.11 0.01 0.70 -0.75 4.39 4.46 3f0yE1 THR 230 HB 0.09 0.08 0.12 -0.04 4.32 4.57 3f0yE1 THR 230 HG23 0.03 0.00 -0.08 -0.04 1.22 1.13 3f0yE1 ASN 231 H 0.08 0.13 0.13 -0.55 8.53 8.33 3f0yE1 ASN 231 HA 0.06 -0.06 0.32 -0.75 4.76 4.33 3f0yE1 ASN 231 HB2 0.03 0.24 -0.27 -0.04 2.88 2.83 3f0yE1 ASN 231 HB3 -0.03 -0.04 0.10 -0.04 2.79 2.77 3f0yE1 ASN 231 HD21 -0.02 -0.00 -0.03 -0.04 7.03 6.94 3f0yE1 ASN 231 HD22 -0.04 0.09 -0.08 -0.04 7.74 7.67 3f0yE1 ALA 232 H 0.12 0.13 -0.20 -0.55 8.40 7.91 3f0yE1 ALA 232 HA 0.35 0.16 0.30 -0.75 4.34 4.40 3f0yE1 ALA 232 HB3 0.08 0.08 -0.04 -0.04 1.41 1.48 3f0yE1 LYS 233 H 0.06 -0.00 -0.25 -0.55 8.42 7.67 3f0yE1 LYS 233 HA -0.09 0.05 0.15 -0.75 4.32 3.67 3f0yE1 LYS 233 HB2 0.05 -0.00 -0.05 -0.04 1.87 1.82 3f0yE1 LYS 233 HB3 0.01 -0.07 -0.11 -0.04 1.79 1.58 3f0yE1 LYS 233 HG2 0.00 0.11 -0.15 -0.04 1.46 1.38 3f0yE1 LYS 233 HG3 -0.02 -0.03 -0.09 -0.04 1.46 1.28 3f0yE1 LYS 233 HD2 0.21 0.09 0.05 -0.04 1.69 2.00 3f0yE1 LYS 233 HD3 0.10 -0.07 0.05 -0.04 1.68 1.72 3f0yE1 LYS 233 HE2 0.08 -0.07 0.02 -0.04 2.99 2.98 3f0yE1 LYS 233 HE3 0.05 -0.15 0.09 -0.04 2.99 2.94 3f0yE1 SER 234 H -0.03 0.11 -0.49 -0.55 8.46 7.50 3f0yE1 SER 234 HA -0.09 0.31 0.30 -0.75 4.49 4.25 3f0yE1 SER 234 HB2 -0.14 0.09 0.09 -0.04 3.95 3.94 3f0yE1 SER 234 HB3 -0.08 -0.22 -0.16 -0.04 3.93 3.43 3f0yE1 PHE 235 H 0.07 0.34 -0.59 -0.55 8.34 7.60 3f0yE1 PHE 235 HA -0.06 0.12 0.69 -0.75 4.62 4.63 3f0yE1 PHE 235 HB2 -0.11 0.21 0.03 -0.04 3.15 3.24 3f0yE1 PHE 235 HB3 -0.08 -0.10 -0.01 -0.04 3.06 2.83 3f0yE1 PHE 235 HD2 -0.03 -0.03 -0.07 -0.04 7.28 7.10 3f0yE1 PHE 235 HE2 0.06 0.12 -0.18 -0.04 7.38 7.33 3f0yE1 PHE 235 HZ 0.05 0.15 -0.38 -0.04 7.32 7.10 3f0yE1 MET 236 H -0.13 0.39 -0.24 -0.55 8.47 7.95 3f0yE1 MET 236 HA -0.26 0.07 0.28 -0.75 4.52 3.85 3f0yE1 MET 236 HB2 -0.67 0.09 0.04 -0.04 2.15 1.58 3f0yE1 MET 236 HB3 -0.90 0.01 -0.03 -0.04 2.03 1.07 3f0yE1 MET 236 HG2 -0.37 0.09 0.04 -0.04 2.63 2.35 3f0yE1 MET 236 HG3 -1.03 -0.08 -0.05 -0.04 2.56 1.36 3f0yE1 MET 236 HE3 -0.60 0.05 -0.23 -0.04 2.10 1.27 3f0yE1 PRO 237 HA 0.10 0.16 0.55 -0.51 4.44 4.75 3f0yE1 PRO 237 HB2 -0.17 0.09 -0.04 -0.04 2.28 2.12 3f0yE1 PRO 237 HB3 -0.90 0.02 0.07 -0.04 2.02 1.16 3f0yE1 PRO 237 HG2 0.02 -0.06 0.11 -0.04 2.03 2.06 3f0yE1 PRO 237 HG3 -0.27 0.10 0.06 -0.04 2.03 1.87 3f0yE1 PRO 237 HD2 -0.19 -0.00 0.12 -0.04 3.68 3.56 3f0yE1 PRO 237 HD3 -0.35 0.17 0.07 -0.04 3.65 3.49 3f0yE1 SER 238 H 0.34 0.72 0.25 -0.55 8.46 9.23 3f0yE1 SER 238 HA 0.17 -0.02 0.31 -0.75 4.49 4.18 3f0yE1 SER 238 HB2 0.09 0.27 -0.41 -0.04 3.95 3.86 3f0yE1 SER 238 HB3 0.05 0.06 0.04 -0.04 3.93 4.04 3f0yE1 THR 239 H 0.22 0.13 0.17 -0.55 8.28 8.26 3f0yE1 THR 239 HA 0.11 0.43 0.49 -0.75 4.39 4.67 3f0yE1 THR 239 HB 0.19 -0.04 0.09 -0.04 4.32 4.52 3f0yE1 THR 239 HG23 0.30 0.03 0.07 -0.04 1.22 1.58 3f0yE1 THR 240 H 0.05 -0.02 -0.23 -0.55 8.28 7.53 3f0yE1 THR 240 HA 0.00 0.14 0.60 -0.75 4.39 4.38 3f0yE1 THR 240 HB -0.02 -0.04 0.02 -0.04 4.32 4.25 3f0yE1 THR 240 HG23 -0.02 0.01 -0.10 -0.04 1.22 1.08 3f0yE1 ALA 241 H -0.14 -0.02 -0.22 -0.55 8.40 7.48 3f0yE1 ALA 241 HA -0.27 0.09 0.51 -0.75 4.34 3.92 3f0yE1 ALA 241 HB3 -0.64 0.01 0.06 -0.04 1.41 0.80 3f0yE1 TYR 242 H -0.16 0.48 -0.27 -0.55 8.29 7.80 3f0yE1 TYR 242 HA -0.09 0.17 0.70 -0.75 4.56 4.58 3f0yE1 TYR 242 HB2 -0.13 -0.01 -0.01 -0.04 3.06 2.88 3f0yE1 TYR 242 HB3 -0.18 0.11 -0.04 -0.04 2.98 2.83 3f0yE1 TYR 242 HD2 -0.04 0.14 -0.08 -0.04 7.15 7.13 3f0yE1 TYR 242 HE2 0.09 0.13 0.10 -0.04 6.85 7.13 3f0yE1 PRO 243 HA -0.01 0.23 0.36 -0.51 4.44 4.51 3f0yE1 PRO 243 HB2 0.02 -0.04 -0.04 -0.04 2.28 2.18 3f0yE1 PRO 243 HB3 0.00 0.10 0.04 -0.04 2.02 2.12 3f0yE1 PRO 243 HG2 -0.02 -0.07 -0.11 -0.04 2.03 1.78 3f0yE1 PRO 243 HG3 -0.01 0.00 -0.03 -0.04 2.03 1.94 3f0yE1 PRO 243 HD2 -0.03 0.10 0.04 -0.04 3.68 3.74 3f0yE1 PRO 243 HD3 -0.06 0.27 -0.33 -0.04 3.65 3.49 3f0yE1 PHE 244 H 0.17 0.19 0.17 -0.55 8.34 8.32 3f0yE1 PHE 244 HA 0.01 0.15 0.89 -0.75 4.62 4.91 3f0yE1 PHE 244 HB2 -0.01 -0.01 0.10 -0.04 3.15 3.19 3f0yE1 PHE 244 HB3 -0.01 0.00 -0.10 -0.04 3.06 2.91 3f0yE1 PHE 244 HD2 -0.01 -0.05 -0.31 -0.04 7.28 6.87 3f0yE1 PHE 244 HE2 -0.03 0.12 -0.29 -0.04 7.38 7.14 3f0yE1 PHE 244 HZ 0.03 -0.16 -0.34 -0.04 7.32 6.81 3f0yE1 ASN 245 H 0.11 0.84 0.26 -0.55 8.53 9.19 3f0yE1 ASN 245 HA 0.07 0.02 0.29 -0.75 4.76 4.38 3f0yE1 ASN 245 HB2 0.08 0.13 -0.16 -0.04 2.88 2.89 3f0yE1 ASN 245 HB3 0.05 -0.05 0.15 -0.04 2.79 2.91 3f0yE1 ASN 245 HD21 0.04 -0.00 -0.11 -0.04 7.03 6.92 3f0yE1 ASN 245 HD22 0.06 0.05 -0.17 -0.04 7.74 7.64 3f0yE1 ASN 246 H 0.04 0.18 -0.49 -0.55 8.53 7.70 3f0yE1 ASN 246 HA 0.03 0.15 0.87 -0.75 4.76 5.06 3f0yE1 ASN 246 HB2 0.03 0.16 -0.09 -0.04 2.88 2.94 3f0yE1 ASN 246 HB3 0.02 0.02 0.00 -0.04 2.79 2.78 3f0yE1 ASN 246 HD21 0.01 0.00 -0.02 -0.04 7.03 6.99 3f0yE1 ASN 246 HD22 0.02 0.08 -0.01 -0.04 7.74 7.79 3f0yE1 ASN 247 H 0.03 0.27 0.02 -0.55 8.53 8.31 3f0yE1 ASN 247 HA 0.04 0.09 0.32 -0.75 4.76 4.46 3f0yE1 ASN 247 HB2 0.02 -0.01 0.11 -0.04 2.88 2.96 3f0yE1 ASN 247 HB3 0.03 0.04 0.01 -0.04 2.79 2.82 3f0yE1 ASN 247 HD21 0.02 0.02 -0.00 -0.04 7.03 7.04 3f0yE1 ASN 247 HD22 0.02 0.00 0.01 -0.04 7.74 7.73 3f0yE1 SER 248 H 0.02 0.10 -0.12 -0.55 8.46 7.92 3f0yE1 SER 248 HA 0.03 0.11 0.40 -0.75 4.49 4.27 3f0yE1 SER 248 HB2 0.02 0.05 0.08 -0.04 3.95 4.06 3f0yE1 SER 248 HB3 0.02 -0.01 0.09 -0.04 3.93 3.98 3f0yE1 ARG 249 H 0.02 0.19 -0.50 -0.55 8.46 7.62 3f0yE1 ARG 249 HA 0.03 0.20 0.88 -0.75 4.34 4.69 3f0yE1 ARG 249 HB2 0.01 0.03 0.00 -0.04 1.90 1.90 3f0yE1 ARG 249 HB3 0.00 0.07 0.15 -0.04 1.80 1.98 3f0yE1 ARG 249 HG2 0.01 0.05 -0.07 -0.04 1.67 1.62 3f0yE1 ARG 249 HG3 0.01 -0.14 -0.19 -0.04 1.67 1.31 3f0yE1 ARG 249 HD2 0.00 -0.02 -0.02 -0.04 3.22 3.13 3f0yE1 ARG 249 HD3 0.00 -0.01 -0.02 -0.04 3.22 3.15 3f0yE1 GLU 250 H 0.05 0.35 -0.23 -0.55 8.60 8.22 3f0yE1 GLU 250 HA 0.02 0.08 0.22 -0.75 4.29 3.86 3f0yE1 GLU 250 HB2 0.06 0.02 0.12 -0.04 2.09 2.25 3f0yE1 GLU 250 HB3 0.11 0.02 0.07 -0.04 1.99 2.15 3f0yE1 GLU 250 HG2 0.30 0.00 -0.10 -0.04 2.34 2.50 3f0yE1 GLU 250 HG3 0.05 -0.01 0.01 -0.04 2.34 2.35 3f0yE1 LYS 251 H 0.10 0.12 -0.27 -0.55 8.42 7.82 3f0yE1 LYS 251 HA 0.30 0.05 0.39 -0.75 4.32 4.30 3f0yE1 LYS 251 HB2 0.09 0.03 0.02 -0.04 1.87 1.97 3f0yE1 LYS 251 HB3 0.11 0.02 0.05 -0.04 1.79 1.94 3f0yE1 LYS 251 HG2 0.07 -0.00 0.03 -0.04 1.46 1.52 3f0yE1 LYS 251 HG3 0.07 -0.02 0.03 -0.04 1.46 1.50 3f0yE1 LYS 251 HD2 0.05 0.02 0.01 -0.04 1.69 1.73 3f0yE1 LYS 251 HD3 0.04 0.00 0.01 -0.04 1.68 1.69 3f0yE1 LYS 251 HE2 0.03 0.02 0.01 -0.04 2.99 3.01 3f0yE1 LYS 251 HE3 0.02 -0.01 0.01 -0.04 2.99 2.97 3f0yE1 GLU 252 H 0.08 0.40 -0.29 -0.55 8.60 8.24 3f0yE1 GLU 252 HA 0.11 0.03 0.46 -0.75 4.29 4.14 3f0yE1 GLU 252 HB2 0.02 0.17 0.17 -0.04 2.09 2.41 3f0yE1 GLU 252 HB3 0.03 0.06 0.21 -0.04 1.99 2.24 3f0yE1 GLU 252 HG2 0.04 -0.05 0.07 -0.04 2.34 2.36 3f0yE1 GLU 252 HG3 0.04 -0.11 0.08 -0.04 2.34 2.31 3f0yE1 ASN 253 H -0.00 0.42 -0.35 -0.55 8.53 8.05 3f0yE1 ASN 253 HA 0.02 0.10 0.56 -0.75 4.76 4.69 3f0yE1 ASN 253 HB2 -0.47 0.10 0.12 -0.04 2.88 2.59 3f0yE1 ASN 253 HB3 -0.41 -0.00 0.14 -0.04 2.79 2.49 3f0yE1 ASN 253 HD21 -0.14 0.12 -0.20 -0.04 7.03 6.77 3f0yE1 ASN 253 HD22 -0.16 0.47 0.10 -0.04 7.74 8.11 3f0yE1 TYR 254 H 0.09 0.32 -0.26 -0.55 8.29 7.89 3f0yE1 TYR 254 HA -0.24 0.30 1.07 -0.75 4.56 4.93 3f0yE1 TYR 254 HB2 0.01 0.06 0.12 -0.04 3.06 3.22 3f0yE1 TYR 254 HB3 -0.52 -0.04 0.01 -0.04 2.98 2.39 3f0yE1 TYR 254 HD2 -0.10 0.07 -0.00 -0.04 7.15 7.08 3f0yE1 TYR 254 HE2 -0.02 -0.05 -0.13 -0.04 6.85 6.61 3f0yE1 ILE 255 H -0.35 0.76 0.48 -0.55 8.25 8.59 3f0yE1 ILE 255 HA -0.02 0.12 0.81 -0.75 4.18 4.34 3f0yE1 ILE 255 HB -0.22 -0.05 0.09 -0.04 1.89 1.67 3f0yE1 ILE 255 HG12 0.10 0.02 0.11 -0.04 1.49 1.68 3f0yE1 ILE 255 HG13 -0.03 0.06 -0.48 -0.04 1.21 0.72 3f0yE1 ILE 255 HG23 0.12 -0.03 -0.04 -0.04 0.93 0.94 3f0yE1 ILE 255 HD13 0.16 -0.04 0.00 -0.04 0.88 0.96 3f0yE1 TYR 256 H 0.16 0.23 0.26 -0.55 8.29 8.39 3f0yE1 TYR 256 HA -0.10 0.27 1.15 -0.75 4.56 5.12 3f0yE1 TYR 256 HB2 0.00 -0.04 0.07 -0.04 3.06 3.05 3f0yE1 TYR 256 HB3 -0.06 0.05 0.18 -0.04 2.98 3.11 3f0yE1 TYR 256 HD2 -0.03 0.03 0.00 -0.04 7.15 7.11 3f0yE1 TYR 256 HE2 -0.05 0.02 -0.06 -0.04 6.85 6.71 3f0yE1 GLY 257 H -0.11 0.69 0.46 -0.55 8.43 8.92 3f0yE1 GLY 257 HA2 0.10 0.05 0.45 -0.51 4.01 4.10 3f0yE1 GLY 257 HA3 -0.03 0.07 0.49 -0.51 4.01 4.03 3f0yE1 THR 258 H 0.04 0.27 0.29 -0.55 8.28 8.33 3f0yE1 THR 258 HA -0.15 0.23 0.97 -0.75 4.39 4.68 3f0yE1 THR 258 HB -0.13 0.08 0.14 -0.04 4.32 4.37 3f0yE1 THR 258 HG23 -0.05 -0.03 -0.14 -0.04 1.22 0.97 3f0yE1 CYS 259 H -0.03 0.63 0.36 -0.55 8.50 8.91 3f0yE1 CYS 259 HA 0.22 0.18 0.50 -0.75 4.58 4.72 3f0yE1 CYS 259 HB2 0.27 0.04 0.16 -0.04 2.97 3.39 3f0yE1 CYS 259 HB3 0.26 0.05 -0.05 -0.04 2.97 3.19 3f0yE1 HIS 260 H 0.26 0.18 0.23 -0.55 8.41 8.53 3f0yE1 HIS 260 HA 0.13 0.33 0.98 -0.75 4.63 5.32 3f0yE1 HIS 260 HB2 0.06 -0.04 -0.01 -0.04 3.26 3.23 3f0yE1 HIS 260 HB3 0.06 0.01 -0.16 -0.04 3.20 3.07 3f0yE1 HIS 260 HD2 0.08 -0.05 -0.33 -0.04 6.97 6.63 3f0yE1 HIS 260 HE1 0.00 0.01 -0.07 -0.04 7.75 7.65 3f0yE1 TYR 261 H 0.30 0.75 0.32 -0.55 8.29 9.11 3f0yE1 TYR 261 HA 0.05 0.29 0.99 -0.75 4.56 5.14 3f0yE1 TYR 261 HB2 -0.05 -0.01 0.09 -0.04 3.06 3.05 3f0yE1 TYR 261 HB3 -0.03 0.03 0.19 -0.04 2.98 3.14 3f0yE1 TYR 261 HD2 -0.15 0.07 0.04 -0.04 7.15 7.06 3f0yE1 TYR 261 HE2 -0.15 0.06 0.01 -0.04 6.85 6.73 3f0yE1 THR 262 H -0.38 0.23 0.12 -0.55 8.28 7.70 3f0yE1 THR 262 HA -0.19 0.18 0.74 -0.75 4.39 4.37 3f0yE1 THR 262 HB -0.26 -0.02 0.17 -0.04 4.32 4.17 3f0yE1 THR 262 HG23 -0.15 0.04 -0.11 -0.04 1.22 0.96 3f0yE1 ALA 263 H -0.20 0.66 0.26 -0.55 8.40 8.57 3f0yE1 ALA 263 HA -0.30 0.11 0.40 -0.75 4.34 3.80 3f0yE1 ALA 263 HB3 0.00 -0.02 0.13 -0.04 1.41 1.48 3f0yE1 SER 264 H -0.05 0.19 0.17 -0.55 8.46 8.23 3f0yE1 SER 264 HA -0.19 0.14 0.42 -0.75 4.49 4.10 3f0yE1 SER 264 HB2 -0.05 0.03 0.09 -0.04 3.95 3.98 3f0yE1 SER 264 HB3 -0.04 0.18 0.18 -0.04 3.93 4.21 3f0yE1 ASP 265 H -0.05 0.05 -0.21 -0.55 8.40 7.64 3f0yE1 ASP 265 HA 0.06 0.20 0.71 -0.75 4.63 4.86 3f0yE1 ASP 265 HB2 0.04 0.04 0.15 -0.04 2.71 2.89 3f0yE1 ASP 265 HB3 0.01 0.00 0.06 -0.04 2.70 2.73 3f0yE1 HIS 266 H -0.22 0.55 -0.56 -0.55 8.41 7.64 3f0yE1 HIS 266 HA -0.06 0.13 0.22 -0.75 4.63 4.16 3f0yE1 HIS 266 HB2 -0.02 0.15 -0.15 -0.04 3.26 3.21 3f0yE1 HIS 266 HB3 -0.03 -0.06 0.15 -0.04 3.20 3.22 3f0yE1 HIS 266 HD2 -0.04 -0.04 -0.01 -0.04 6.97 6.84 3f0yE1 HIS 266 HE1 -0.02 -0.02 -0.00 -0.04 7.75 7.67 3f0yE1 THR 267 H 0.01 -0.07 -0.45 -0.55 8.28 7.23 3f0yE1 THR 267 HA 0.03 0.14 0.68 -0.75 4.39 4.49 3f0yE1 THR 267 HB 0.05 0.06 0.00 -0.04 4.32 4.39 3f0yE1 THR 267 HG23 0.04 0.03 -0.05 -0.04 1.22 1.19 3f0yE1 ALA 268 H 0.03 0.15 0.14 -0.55 8.40 8.18 3f0yE1 ALA 268 HA 0.06 0.17 0.75 -0.75 4.34 4.58 3f0yE1 ALA 268 HB3 -0.05 0.00 0.04 -0.04 1.41 1.36 3f0yE1 PHE 269 H 0.25 0.86 0.34 -0.55 8.34 9.24 3f0yE1 PHE 269 HA 0.02 0.16 0.77 -0.75 4.62 4.82 3f0yE1 PHE 269 HB2 0.04 -0.02 0.08 -0.04 3.15 3.21 3f0yE1 PHE 269 HB3 0.08 -0.08 0.27 -0.04 3.06 3.30 3f0yE1 PHE 269 HD2 -0.23 -0.08 -0.10 -0.04 7.28 6.82 3f0yE1 PHE 269 HE2 -0.69 0.01 -0.06 -0.04 7.38 6.60 3f0yE1 PHE 269 HZ -0.34 -0.02 0.00 -0.04 7.32 6.92 3f0yE1 PRO 270 HA -0.59 0.17 0.57 -0.51 4.44 4.08 3f0yE1 PRO 270 HB2 -0.23 0.01 0.01 -0.04 2.28 2.02 3f0yE1 PRO 270 HB3 -0.25 0.01 0.09 -0.04 2.02 1.83 3f0yE1 PRO 270 HG2 -0.34 -0.00 0.14 -0.04 2.03 1.78 3f0yE1 PRO 270 HG3 -0.14 0.02 0.11 -0.04 2.03 1.98 3f0yE1 PRO 270 HD2 -0.59 0.05 0.28 -0.04 3.68 3.37 3f0yE1 PRO 270 HD3 -0.08 0.30 0.29 -0.04 3.65 4.11 3f0yE1 ILE 271 H -0.17 0.75 0.43 -0.55 8.25 8.71 3f0yE1 ILE 271 HA 0.19 0.18 0.96 -0.75 4.18 4.76 3f0yE1 ILE 271 HB 0.23 -0.10 -0.04 -0.04 1.89 1.95 3f0yE1 ILE 271 HG12 0.40 0.05 -0.15 -0.04 1.49 1.75 3f0yE1 ILE 271 HG13 0.21 0.10 -0.39 -0.04 1.21 1.09 3f0yE1 ILE 271 HG23 0.47 0.02 -0.17 -0.04 0.93 1.21 3f0yE1 ILE 271 HD13 0.25 -0.03 -0.17 -0.04 0.88 0.88 3f0yE1 ASP 272 H 0.10 0.55 0.39 -0.55 8.40 8.89 3f0yE1 ASP 272 HA -0.08 0.12 0.75 -0.75 4.63 4.66 3f0yE1 ASP 272 HB2 -0.01 0.01 0.15 -0.04 2.71 2.82 3f0yE1 ASP 272 HB3 -0.05 0.02 0.04 -0.04 2.70 2.67 3f0yE1 ILE 273 H -0.23 0.74 0.42 -0.55 8.25 8.63 3f0yE1 ILE 273 HA -0.46 0.40 1.09 -0.75 4.18 4.46 3f0yE1 ILE 273 HB -0.97 -0.10 -0.13 -0.04 1.89 0.66 3f0yE1 ILE 273 HG12 -0.83 0.01 -0.18 -0.04 1.49 0.45 3f0yE1 ILE 273 HG13 -0.30 0.00 -0.48 -0.04 1.21 0.39 3f0yE1 ILE 273 HG23 -0.87 -0.01 -0.29 -0.04 0.93 -0.28 3f0yE1 ILE 273 HD13 -0.41 -0.00 -0.25 -0.04 0.88 0.17 3f0yE1 SER 274 H -0.35 0.64 0.32 -0.55 8.46 8.52 3f0yE1 SER 274 HA -0.25 0.22 1.04 -0.75 4.49 4.74 3f0yE1 SER 274 HB2 0.01 -0.01 -0.01 -0.04 3.95 3.90 3f0yE1 SER 274 HB3 -0.12 -0.05 0.13 -0.04 3.93 3.85 3f0yE1 VAL 275 H -0.41 0.96 0.41 -0.55 8.24 8.66 3f0yE1 VAL 275 HA -0.33 0.33 1.19 -0.75 4.13 4.56 3f0yE1 VAL 275 HB -0.47 -0.03 0.09 -0.04 2.12 1.67 3f0yE1 VAL 275 HG13 -0.48 -0.00 -0.23 -0.04 0.97 0.22 3f0yE1 VAL 275 HG23 -0.73 -0.03 -0.23 -0.04 0.95 -0.08 3f0yE1 MET 276 H -0.22 0.59 0.34 -0.55 8.47 8.63 3f0yE1 MET 276 HA -0.39 0.39 1.03 -0.75 4.52 4.81 3f0yE1 MET 276 HB2 -0.13 -0.07 -0.03 -0.04 2.15 1.88 3f0yE1 MET 276 HB3 -0.16 -0.10 0.09 -0.04 2.03 1.82 3f0yE1 MET 276 HG2 -0.33 0.13 -0.31 -0.04 2.63 2.08 3f0yE1 MET 276 HG3 -0.89 0.07 -0.07 -0.04 2.56 1.63 3f0yE1 MET 276 HE3 -0.03 0.02 -0.06 -0.04 2.10 1.99 3f0yE1 LEU 277 H -0.36 0.78 0.28 -0.55 8.37 8.52 3f0yE1 LEU 277 HA -0.25 0.17 0.98 -0.75 4.35 4.50 3f0yE1 LEU 277 HB2 -0.57 0.06 0.14 -0.04 1.64 1.23 3f0yE1 LEU 277 HB3 -0.52 -0.02 0.06 -0.04 1.64 1.12 3f0yE1 LEU 277 HG -0.40 0.01 -0.15 -0.04 1.64 1.06 3f0yE1 LEU 277 HD13 -0.97 -0.00 -0.04 -0.04 0.93 -0.12 3f0yE1 LEU 277 HD23 -0.34 -0.01 -0.05 -0.04 0.89 0.45 3f0yE1 ASN 278 H -0.13 0.60 0.32 -0.55 8.53 8.78 3f0yE1 ASN 278 HA -0.26 -0.12 0.30 -0.75 4.76 3.93 3f0yE1 ASN 278 HB2 -0.45 0.25 -0.14 -0.04 2.88 2.50 3f0yE1 ASN 278 HB3 -1.89 -0.09 -0.01 -0.04 2.79 0.77 3f0yE1 ASN 278 HD21 0.21 0.22 -0.25 -0.04 7.03 7.17 3f0yE1 ASN 278 HD22 -0.00 0.54 -0.07 -0.04 7.74 8.16 3f0yE1 GLN 279 H -0.75 0.48 0.09 -0.55 8.47 7.75 3f0yE1 GLN 279 HA -0.19 0.09 0.51 -0.75 4.36 4.02 3f0yE1 GLN 279 HB2 -0.26 0.19 -0.36 -0.04 2.15 1.68 3f0yE1 GLN 279 HB3 -0.11 -0.02 0.17 -0.04 2.02 2.01 3f0yE1 GLN 279 HG2 -0.13 0.04 0.03 -0.04 2.40 2.30 3f0yE1 GLN 279 HG3 -0.18 0.00 -0.04 -0.04 2.39 2.13 3f0yE1 GLN 279 HE21 0.03 -0.09 -0.12 -0.04 6.97 6.75 3f0yE1 GLN 279 HE22 -0.00 0.07 -0.08 -0.04 7.69 7.64 3f0yE1 ARG 280 H 0.07 0.65 0.03 -0.55 8.46 8.66 3f0yE1 ARG 280 HA 0.26 0.07 0.76 -0.75 4.34 4.68 3f0yE1 ARG 280 HB2 0.10 -0.06 -0.03 -0.04 1.90 1.86 3f0yE1 ARG 280 HB3 0.08 0.03 -0.12 -0.04 1.80 1.75 3f0yE1 ARG 280 HG2 0.06 0.05 -0.00 -0.04 1.67 1.74 3f0yE1 ARG 280 HG3 0.12 -0.00 -0.03 -0.04 1.67 1.71 3f0yE1 ARG 280 HD2 0.06 -0.04 -0.07 -0.04 3.22 3.13 3f0yE1 ARG 280 HD3 0.06 0.00 -0.07 -0.04 3.22 3.17 3f0yE1 ALA 281 H 0.14 0.21 -0.15 -0.55 8.40 8.05 3f0yE1 ALA 281 HA 0.07 0.03 0.44 -0.75 4.34 4.13 3f0yE1 ALA 281 HB3 -0.05 0.04 -0.12 -0.04 1.41 1.25 3f0yE1 ILE 282 H -0.02 0.15 0.01 -0.55 8.25 7.84 3f0yE1 ILE 282 HA -0.04 0.11 0.32 -0.75 4.18 3.83 3f0yE1 ILE 282 HB -0.03 0.03 0.07 -0.04 1.89 1.91 3f0yE1 ILE 282 HG12 -0.06 -0.04 0.03 -0.04 1.49 1.38 3f0yE1 ILE 282 HG13 -0.07 0.01 -0.21 -0.04 1.21 0.90 3f0yE1 ILE 282 HG23 0.00 0.01 -0.00 -0.04 0.93 0.89 3f0yE1 ILE 282 HD13 -0.03 0.01 -0.04 -0.04 0.88 0.79 3f0yE1 ARG 283 H -0.12 -0.00 -0.29 -0.55 8.46 7.49 3f0yE1 ARG 283 HA -0.09 0.10 0.58 -0.75 4.34 4.19 3f0yE1 ARG 283 HB2 -0.17 -0.02 0.01 -0.04 1.90 1.68 3f0yE1 ARG 283 HB3 -0.11 -0.09 0.00 -0.04 1.80 1.56 3f0yE1 ARG 283 HG2 -0.11 0.06 -0.03 -0.04 1.67 1.55 3f0yE1 ARG 283 HG3 -0.17 -0.05 -0.02 -0.04 1.67 1.39 3f0yE1 ARG 283 HD2 -0.20 0.08 -0.03 -0.04 3.22 3.02 3f0yE1 ARG 283 HD3 -0.35 0.00 -0.04 -0.04 3.22 2.79 3f0yE1 ALA 284 H -0.07 0.14 0.17 -0.55 8.40 8.09 3f0yE1 ALA 284 HA -0.09 0.20 0.39 -0.75 4.34 4.09 3f0yE1 ALA 284 HB3 -0.05 0.01 0.09 -0.04 1.41 1.42 3f0yE1 ASP 285 H -0.07 0.01 -0.21 -0.55 8.40 7.59 3f0yE1 ASP 285 HA -0.03 0.13 0.39 -0.75 4.63 4.36 3f0yE1 ASP 285 HB2 -0.02 -0.01 0.07 -0.04 2.71 2.72 3f0yE1 ASP 285 HB3 -0.03 0.01 0.04 -0.04 2.70 2.68 3f0yE1 THR 286 H -0.09 0.26 -0.55 -0.55 8.28 7.35 3f0yE1 THR 286 HA 0.03 0.00 0.64 -0.75 4.39 4.31 3f0yE1 THR 286 HB 0.07 0.00 -0.06 -0.04 4.32 4.29 3f0yE1 THR 286 HG23 -0.19 0.00 -0.13 -0.04 1.22 0.86 3f0yE1 SER 287 H 0.06 0.62 0.38 -0.55 8.46 8.97 3f0yE1 SER 287 HA -0.37 0.23 0.86 -0.75 4.49 4.46 3f0yE1 SER 287 HB2 -0.10 0.07 -0.42 -0.04 3.95 3.47 3f0yE1 SER 287 HB3 -0.60 0.02 -0.04 -0.04 3.93 3.27 3f0yE1 TYR 288 H 0.29 0.35 0.26 -0.55 8.29 8.64 3f0yE1 TYR 288 HA 0.45 0.21 0.72 -0.75 4.56 5.19 3f0yE1 TYR 288 HB2 0.25 -0.10 -0.04 -0.04 3.06 3.13 3f0yE1 TYR 288 HB3 0.12 0.07 0.06 -0.04 2.98 3.18 3f0yE1 TYR 288 HD2 0.16 0.10 -0.11 -0.04 7.15 7.25 3f0yE1 TYR 288 HE2 0.10 -0.06 -0.07 -0.04 6.85 6.79 3f0yE1 CYS 289 H 0.30 0.26 0.22 -0.55 8.50 8.72 3f0yE1 CYS 289 HA 0.24 0.30 1.04 -0.75 4.58 5.41 3f0yE1 CYS 289 HB2 0.14 -0.00 0.12 -0.04 2.97 3.19 3f0yE1 CYS 289 HB3 0.11 0.03 0.00 -0.04 2.97 3.07 3f0yE1 ILE 290 H 0.05 0.69 0.32 -0.55 8.25 8.76 3f0yE1 ILE 290 HA -0.08 0.24 0.81 -0.75 4.18 4.40 3f0yE1 ILE 290 HB 0.18 -0.07 0.16 -0.04 1.89 2.11 3f0yE1 ILE 290 HG12 -0.15 0.07 0.02 -0.04 1.49 1.39 3f0yE1 ILE 290 HG13 0.09 -0.10 -0.36 -0.04 1.21 0.80 3f0yE1 ILE 290 HG23 0.10 -0.00 -0.17 -0.04 0.93 0.82 3f0yE1 ILE 290 HD13 0.09 0.01 -0.10 -0.04 0.88 0.84 3f0yE1 ARG 291 H -0.14 0.74 0.25 -0.55 8.46 8.77 3f0yE1 ARG 291 HA -0.12 0.22 1.11 -0.75 4.34 4.79 3f0yE1 ARG 291 HB2 -0.10 0.04 0.21 -0.04 1.90 2.00 3f0yE1 ARG 291 HB3 -0.07 -0.02 -0.03 -0.04 1.80 1.63 3f0yE1 ARG 291 HG2 -0.16 -0.07 -0.03 -0.04 1.67 1.36 3f0yE1 ARG 291 HG3 -0.09 0.02 -0.15 -0.04 1.67 1.40 3f0yE1 ARG 291 HD2 0.01 0.04 -0.05 -0.04 3.22 3.18 3f0yE1 ARG 291 HD3 0.01 -0.02 -0.06 -0.04 3.22 3.10 3f0yE1 ILE 292 H -0.08 0.65 0.27 -0.55 8.25 8.55 3f0yE1 ILE 292 HA -0.36 0.28 1.05 -0.75 4.18 4.40 3f0yE1 ILE 292 HB -0.19 -0.10 0.14 -0.04 1.89 1.70 3f0yE1 ILE 292 HG12 -0.27 0.05 -0.19 -0.04 1.49 1.04 3f0yE1 ILE 292 HG13 -0.09 -0.06 -0.41 -0.04 1.21 0.61 3f0yE1 ILE 292 HG23 -1.10 -0.00 -0.23 -0.04 0.93 -0.45 3f0yE1 ILE 292 HD13 0.19 -0.01 -0.14 -0.04 0.88 0.88 3f0yE1 THR 293 H -0.37 0.87 0.36 -0.55 8.28 8.59 3f0yE1 THR 293 HA -0.07 0.21 1.18 -0.75 4.39 4.95 3f0yE1 THR 293 HB -0.16 -0.02 0.15 -0.04 4.32 4.24 3f0yE1 THR 293 HG23 -0.09 -0.01 -0.25 -0.04 1.22 0.84 3f0yE1 TRP 294 H 0.05 0.55 0.36 -0.55 7.97 8.39 3f0yE1 TRP 294 HA -0.22 0.35 0.97 -0.75 4.62 4.96 3f0yE1 TRP 294 HB2 -1.56 -0.07 0.10 -0.04 3.23 1.66 3f0yE1 TRP 294 HB3 -0.39 0.01 -0.06 -0.04 3.23 2.75 3f0yE1 TRP 294 HD1 0.05 0.03 -0.13 -0.04 7.22 7.14 3f0yE1 TRP 294 HE1 0.15 0.08 -0.12 -0.04 10.20 10.26 3f0yE1 TRP 294 HE3 -0.01 0.13 -0.07 -0.04 7.59 7.60 3f0yE1 TRP 294 HZ2 0.19 0.04 -0.30 -0.04 7.44 7.33 3f0yE1 TRP 294 HZ3 0.15 -0.07 -0.07 -0.04 7.13 7.11 3f0yE1 TRP 294 HH2 0.13 -0.00 -0.17 -0.04 7.19 7.11 3f0yE1 SER 295 H 0.05 0.60 0.31 -0.55 8.46 8.87 3f0yE1 SER 295 HA -0.27 0.17 0.71 -0.75 4.49 4.34 3f0yE1 SER 295 HB2 -0.14 0.07 0.12 -0.04 3.95 3.96 3f0yE1 SER 295 HB3 -0.14 -0.00 -0.18 -0.04 3.93 3.56 3f0yE1 TRP 296 H -0.41 0.69 0.40 -0.55 7.97 8.10 3f0yE1 TRP 296 HA 0.01 0.05 0.51 -0.75 4.62 4.44 3f0yE1 TRP 296 HB2 0.14 0.03 0.16 -0.04 3.23 3.52 3f0yE1 TRP 296 HB3 0.17 0.06 0.10 -0.04 3.23 3.52 3f0yE1 TRP 296 HD1 0.24 0.11 -0.25 -0.04 7.22 7.28 3f0yE1 TRP 296 HE1 0.04 0.31 -0.06 -0.04 10.20 10.45 3f0yE1 TRP 296 HE3 0.16 -0.02 -0.27 -0.04 7.59 7.41 3f0yE1 TRP 296 HZ2 -0.09 0.31 -0.11 -0.04 7.44 7.51 3f0yE1 TRP 296 HZ3 0.19 -0.05 -0.20 -0.04 7.13 7.02 3f0yE1 TRP 296 HH2 -0.09 -0.08 -0.26 -0.04 7.19 6.72 3f0yE1 ASN 297 H 0.22 0.19 0.05 -0.55 8.53 8.44 3f0yE1 ASN 297 HA 0.13 0.23 0.90 -0.75 4.76 5.27 3f0yE1 ASN 297 HB2 0.01 -0.01 -0.14 -0.04 2.88 2.70 3f0yE1 ASN 297 HB3 0.04 -0.03 0.17 -0.04 2.79 2.94 3f0yE1 ASN 297 HD21 0.00 -0.02 -0.03 -0.04 7.03 6.95 3f0yE1 ASN 297 HD22 -0.00 -0.02 -0.02 -0.04 7.74 7.65 3f0yE1 THR 298 H 0.31 0.74 0.24 -0.55 8.28 9.02 3f0yE1 THR 298 HA 0.11 0.16 0.95 -0.75 4.39 4.85 3f0yE1 THR 298 HB 0.15 -0.14 0.16 -0.04 4.32 4.44 3f0yE1 THR 298 HG23 0.03 -0.03 -0.10 -0.04 1.22 1.09 3f0yE1 GLY 299 H 0.08 0.12 0.17 -0.55 8.43 8.26 3f0yE1 GLY 299 HA2 0.07 0.07 0.49 -0.51 4.01 4.13 3f0yE1 GLY 299 HA3 0.06 -0.00 0.34 -0.51 4.01 3.90 3f0yE1 ASP 300 H 0.13 0.11 -0.04 -0.55 8.40 8.04 3f0yE1 ASP 300 HA 0.07 0.15 0.85 -0.75 4.63 4.95 3f0yE1 ASP 300 HB2 0.09 -0.02 -0.02 -0.04 2.71 2.72 3f0yE1 ASP 300 HB3 0.04 0.09 -0.01 -0.04 2.70 2.78 3f0yE1 ALA 301 H 0.03 0.08 -0.01 -0.55 8.40 7.96 3f0yE1 ALA 301 HA 0.04 0.16 0.32 -0.75 4.34 4.11 3f0yE1 ALA 301 HB3 -0.02 0.02 -0.34 -0.04 1.41 1.02 3f0yE1 PRO 302 HA -0.69 -0.00 0.45 -0.51 4.44 3.69 3f0yE1 PRO 302 HB2 -0.82 -0.00 0.04 -0.04 2.28 1.46 3f0yE1 PRO 302 HB3 -1.07 -0.05 0.07 -0.04 2.02 0.93 3f0yE1 PRO 302 HG2 -1.33 -0.05 0.11 -0.04 2.03 0.72 3f0yE1 PRO 302 HG3 -2.80 -0.00 0.07 -0.04 2.03 -0.74 3f0yE1 PRO 302 HD2 -0.29 0.32 0.19 -0.04 3.68 3.85 3f0yE1 PRO 302 HD3 -0.79 0.09 0.20 -0.04 3.65 3.10 3f0yE1 GLU 303 H -0.24 0.68 -0.09 -0.55 8.60 8.40 3f0yE1 GLU 303 HA -0.07 0.08 0.73 -0.75 4.29 4.27 3f0yE1 GLU 303 HB2 -0.13 0.00 -0.34 -0.04 2.09 1.58 3f0yE1 GLU 303 HB3 -0.06 -0.05 -0.10 -0.04 1.99 1.75 3f0yE1 GLU 303 HG2 -0.10 -0.03 -0.53 -0.04 2.34 1.64 3f0yE1 GLU 303 HG3 -0.01 -0.06 -0.19 -0.04 2.34 2.05 3f0yE1 GLY 304 H -0.05 0.05 0.09 -0.55 8.43 7.97 3f0yE1 GLY 304 HA2 -0.08 0.29 0.79 -0.51 4.01 4.50 3f0yE1 GLY 304 HA3 -0.05 0.01 0.36 -0.51 4.01 3.82 3f0yE1 GLN 305 H -0.06 0.20 0.15 -0.55 8.47 8.20 3f0yE1 GLN 305 HA -0.06 0.12 0.35 -0.75 4.36 4.01 3f0yE1 GLN 305 HB2 -0.04 -0.05 0.14 -0.04 2.15 2.16 3f0yE1 GLN 305 HB3 -0.04 0.06 0.02 -0.04 2.02 2.02 3f0yE1 GLN 305 HG2 -0.08 0.04 0.05 -0.04 2.40 2.37 3f0yE1 GLN 305 HG3 -0.08 -0.01 0.10 -0.04 2.39 2.36 3f0yE1 GLN 305 HE21 -0.04 0.00 0.01 -0.04 6.97 6.91 3f0yE1 GLN 305 HE22 -0.08 0.03 0.02 -0.04 7.69 7.61 3f0yE1 THR 306 H -0.03 0.01 -0.15 -0.55 8.28 7.56 3f0yE1 THR 306 HA -0.02 0.16 0.42 -0.75 4.39 4.20 3f0yE1 THR 306 HB -0.01 0.06 0.01 -0.04 4.32 4.34 3f0yE1 THR 306 HG23 -0.02 -0.00 0.01 -0.04 1.22 1.17 3f0yE1 SER 307 H -0.03 0.03 -0.36 -0.55 8.46 7.55 3f0yE1 SER 307 HA -0.02 0.22 0.68 -0.75 4.49 4.62 3f0yE1 SER 307 HB2 -0.02 -0.02 0.09 -0.04 3.95 3.96 3f0yE1 SER 307 HB3 -0.02 -0.00 -0.00 -0.04 3.93 3.87 3f0yE1 ALA 308 H -0.03 0.31 -0.17 -0.55 8.40 7.96 3f0yE1 ALA 308 HA -0.01 -0.06 0.34 -0.75 4.34 3.86 3f0yE1 ALA 308 HB3 -0.05 0.03 -0.10 -0.04 1.41 1.25 3f0yE1 THR 309 H 0.03 0.04 0.03 -0.55 8.28 7.83 3f0yE1 THR 309 HA 0.00 0.21 0.83 -0.75 4.39 4.68 3f0yE1 THR 309 HB 0.01 -0.00 0.04 -0.04 4.32 4.33 3f0yE1 THR 309 HG23 -0.00 0.06 -0.17 -0.04 1.22 1.07 3f0yE1 THR 310 H 0.05 0.23 0.16 -0.55 8.28 8.17 3f0yE1 THR 310 HA 0.04 0.16 0.89 -0.75 4.39 4.73 3f0yE1 THR 310 HB 0.05 -0.02 0.06 -0.04 4.32 4.37 3f0yE1 THR 310 HG23 0.06 0.03 -0.13 -0.04 1.22 1.14 3f0yE1 LEU 311 H 0.02 0.11 0.10 -0.55 8.37 8.06 3f0yE1 LEU 311 HA 0.01 0.13 0.67 -0.75 4.35 4.41 3f0yE1 LEU 311 HB2 -0.25 0.10 0.12 -0.04 1.64 1.57 3f0yE1 LEU 311 HB3 -0.19 -0.13 0.10 -0.04 1.64 1.39 3f0yE1 LEU 311 HG -0.14 -0.08 -0.25 -0.04 1.64 1.13 3f0yE1 LEU 311 HD13 -0.08 0.03 -0.15 -0.04 0.93 0.69 3f0yE1 LEU 311 HD23 -0.67 -0.01 -0.11 -0.04 0.89 0.06 3f0yE1 VAL 312 H 0.33 0.32 0.25 -0.55 8.24 8.58 3f0yE1 VAL 312 HA 0.15 0.29 1.06 -0.75 4.13 4.87 3f0yE1 VAL 312 HB 0.09 -0.01 0.15 -0.04 2.12 2.31 3f0yE1 VAL 312 HG13 0.12 0.02 -0.09 -0.04 0.97 0.98 3f0yE1 VAL 312 HG23 0.09 -0.01 -0.15 -0.04 0.95 0.84 3f0yE1 THR 313 H 0.16 0.36 0.29 -0.55 8.28 8.53 3f0yE1 THR 313 HA 0.21 0.21 0.91 -0.75 4.39 4.97 3f0yE1 THR 313 HB 0.31 0.12 0.04 -0.04 4.32 4.75 3f0yE1 THR 313 HG23 -0.01 -0.01 -0.14 -0.04 1.22 1.02 3f0yE1 SER 314 H 0.18 0.43 0.31 -0.55 8.46 8.83 3f0yE1 SER 314 HA -0.04 0.09 0.63 -0.75 4.49 4.42 3f0yE1 SER 314 HB2 0.07 0.06 0.16 -0.04 3.95 4.19 3f0yE1 SER 314 HB3 0.09 0.05 0.19 -0.04 3.93 4.22 3f0yE1 PRO 315 HA -0.03 0.13 0.35 -0.51 4.44 4.37 3f0yE1 PRO 315 HB2 -0.04 -0.00 -0.00 -0.04 2.28 2.19 3f0yE1 PRO 315 HB3 -0.96 0.00 -0.05 -0.04 2.02 0.98 3f0yE1 PRO 315 HG2 -0.01 0.02 0.04 -0.04 2.03 2.04 3f0yE1 PRO 315 HG3 -0.67 0.03 0.03 -0.04 2.03 1.37 3f0yE1 PRO 315 HD2 -0.05 0.07 0.20 -0.04 3.68 3.87 3f0yE1 PRO 315 HD3 -0.28 0.13 0.23 -0.04 3.65 3.69 3f0yE1 PHE 316 H 0.23 0.70 0.39 -0.55 8.34 9.11 3f0yE1 PHE 316 HA 0.12 0.17 0.92 -0.75 4.62 5.08 3f0yE1 PHE 316 HB2 0.18 0.03 -0.02 -0.04 3.15 3.30 3f0yE1 PHE 316 HB3 0.19 -0.00 0.13 -0.04 3.06 3.34 3f0yE1 PHE 316 HD2 0.08 0.04 -0.06 -0.04 7.28 7.30 3f0yE1 PHE 316 HE2 -0.14 -0.03 -0.10 -0.04 7.38 7.07 3f0yE1 PHE 316 HZ 0.03 0.07 -0.30 -0.04 7.32 7.08 3f0yE1 THR 317 H -0.21 0.22 0.15 -0.55 8.28 7.90 3f0yE1 THR 317 HA -0.17 0.47 1.24 -0.75 4.39 5.18 3f0yE1 THR 317 HB 0.02 -0.04 0.12 -0.04 4.32 4.38 3f0yE1 THR 317 HG23 -0.10 -0.00 -0.15 -0.04 1.22 0.93 3f0yE1 PHE 318 H -0.49 0.65 0.36 -0.55 8.34 8.31 3f0yE1 PHE 318 HA -0.09 0.17 0.75 -0.75 4.62 4.69 3f0yE1 PHE 318 HB2 0.03 -0.01 0.12 -0.04 3.15 3.26 3f0yE1 PHE 318 HB3 -0.35 0.04 -0.11 -0.04 3.06 2.60 3f0yE1 PHE 318 HD2 -0.10 0.04 -0.25 -0.04 7.28 6.92 3f0yE1 PHE 318 HE2 0.12 0.00 -0.19 -0.04 7.38 7.27 3f0yE1 PHE 318 HZ 0.09 -0.02 -0.16 -0.04 7.32 7.19 3f0yE1 TYR 319 H 0.35 0.24 0.23 -0.55 8.29 8.56 3f0yE1 TYR 319 HA -0.21 0.00 1.12 -0.75 4.56 4.72 3f0yE1 TYR 319 HB2 0.04 0.00 0.09 -0.04 3.06 3.14 3f0yE1 TYR 319 HB3 -0.01 0.00 -0.02 -0.04 2.98 2.90 3f0yE1 TYR 319 HD2 -0.05 0.00 -0.18 -0.04 7.15 6.87 3f0yE1 TYR 319 HE2 -0.05 -0.00 -0.10 -0.04 6.85 6.66 3f0yE1 TYR 320 H -0.24 0.50 0.34 -0.55 8.29 8.33 3f0yE1 TYR 320 HA 0.23 0.12 0.58 -0.75 4.56 4.74 3f0yE1 TYR 320 HB2 -0.09 0.04 0.09 -0.04 3.06 3.05 3f0yE1 TYR 320 HB3 -0.00 0.09 -0.09 -0.04 2.98 2.94 3f0yE1 TYR 320 HD2 0.09 0.06 -0.42 -0.04 7.15 6.83 3f0yE1 TYR 320 HE2 -0.07 0.05 -0.40 -0.04 6.85 6.38 3f0yE1 ILE 321 H 0.57 0.16 0.15 -0.55 8.25 8.59 3f0yE1 ILE 321 HA 0.13 0.17 0.63 -0.75 4.18 4.36 3f0yE1 ILE 321 HB 0.07 -0.07 0.18 -0.04 1.89 2.04 3f0yE1 ILE 321 HG12 0.06 0.03 0.02 -0.04 1.49 1.56 3f0yE1 ILE 321 HG13 0.15 -0.05 0.06 -0.04 1.21 1.33 3f0yE1 ILE 321 HG23 0.03 0.03 -0.05 -0.04 0.93 0.89 3f0yE1 ILE 321 HD13 -0.04 0.01 0.03 -0.04 0.88 0.83 3f0yE1 ARG 322 H 0.06 0.57 0.35 -0.55 8.46 8.89 3f0yE1 ARG 322 HA 0.25 0.16 0.56 -0.75 4.34 4.55 3f0yE1 ARG 322 HB2 -0.00 0.16 -0.14 -0.04 1.90 1.87 3f0yE1 ARG 322 HB3 -0.04 -0.13 -0.16 -0.04 1.80 1.42 3f0yE1 ARG 322 HG2 -0.03 -0.03 0.01 -0.04 1.67 1.58 3f0yE1 ARG 322 HG3 -0.06 0.13 -0.12 -0.04 1.67 1.57 3f0yE1 ARG 322 HD2 -0.21 0.19 -0.02 -0.04 3.22 3.14 3f0yE1 ARG 322 HD3 -0.13 -0.05 -0.46 -0.04 3.22 2.54 3f0yE1 GLU 323 H 0.05 0.81 0.10 -0.55 8.60 9.01 3f0yE1 GLU 323 HA 0.06 -0.14 0.50 -0.75 4.29 3.95 3f0yE1 GLU 323 HB2 0.02 -0.01 -0.22 -0.04 2.09 1.83 3f0yE1 GLU 323 HB3 -0.12 0.25 0.01 -0.04 1.99 2.09 3f0yE1 GLU 323 HG2 0.04 0.01 -0.06 -0.04 2.34 2.29 3f0yE1 GLU 323 HG3 0.06 0.18 0.02 -0.04 2.34 2.56 3f0yE1 ASP 324 H 0.04 0.02 0.12 -0.55 8.40 8.03 3f0yE1 ASP 324 HA -0.02 0.18 0.74 -0.75 4.63 4.78 3f0yE1 ASP 324 HB2 0.02 -0.01 0.04 -0.04 2.71 2.72 3f0yE1 ASP 324 HB3 0.00 -0.03 0.05 -0.04 2.70 2.69 3f0yE1 ASP 325 H -0.01 0.10 0.00 -0.55 8.40 7.95 3f0yE1 ASP 325 HA 0.00 0.08 0.09 -0.75 4.63 4.05 3f0yE1 ASP 325 HB2 -0.01 0.03 0.07 -0.04 2.71 2.77 3f0yE1 ASP 325 HB3 0.01 -0.00 0.05 -0.04 2.70 2.71