#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fg8 s GLN 102 N 0.00 3.51 -0.23 0.54 0.74 -1.26 -5.09 119.66 117.86 1fg8 s GLN 102 Ca 0.00 -0.58 -0.02 0.00 0.05 0.00 0.00 55.36 54.81 1fg8 s GLN 102 Cb 0.00 -2.98 0.01 0.00 1.10 0.00 0.00 33.01 31.14 1fg8 s GLN 102 CO 0.00 -0.01 -0.07 0.42 -0.55 0.00 0.00 175.29 175.08 1fg8 s ILE 103 N 1.02 2.96 0.73 -2.34 1.01 -1.26 -5.11 121.20 118.21 1fg8 s ILE 103 Ca 0.01 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.71 1fg8 s ILE 103 Cb -0.15 -2.43 0.05 0.00 0.01 0.00 0.00 42.46 39.94 1fg8 s ILE 103 CO 0.01 0.31 1.09 0.42 0.00 0.00 0.00 174.94 176.76 1fg8 s THR 104 N 1.37 2.76 -0.27 2.92 -4.23 -1.26 -5.02 115.64 111.91 1fg8 s THR 104 Ca 0.03 0.12 0.11 0.00 -1.18 0.00 0.00 61.69 60.77 1fg8 s THR 104 Cb -0.15 -3.22 0.52 0.00 1.34 0.00 0.00 72.50 70.99 1fg8 s THR 104 CO -0.05 -0.27 1.48 0.18 -0.54 0.00 0.00 174.62 175.42 1fg8 n LEU 105 N -3.06 4.23 0.19 4.79 4.77 -1.26 -4.54 117.00 122.12 1fg8 n LEU 105 Ca 0.07 -3.57 0.05 0.00 -0.03 0.00 0.00 56.01 52.53 1fg8 n LEU 105 Cb 0.59 -0.63 0.36 0.00 -2.33 0.00 0.00 43.42 41.42 1fg8 n LEU 105 CO 0.56 1.09 0.69 -0.50 -1.33 0.00 0.00 177.39 177.90 1fg8 h TRP 106 N 1.20 0.00 -2.62 -1.77 4.06 -2.06 -3.43 115.95 111.33 1fg8 h TRP 106 Ca 0.19 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.64 1fg8 h TRP 106 Cb 1.68 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.70 1fg8 h TRP 106 CO 0.93 0.38 -0.71 -1.59 -3.56 0.00 0.00 178.44 173.89 1fg8 s LYS 107 N -3.82 1.51 0.25 0.49 -2.85 -1.26 -5.10 119.74 108.96 1fg8 s LYS 107 Ca -0.01 -1.73 -0.31 0.00 -1.00 0.00 0.00 55.97 52.92 1fg8 s LYS 107 Cb 0.12 -1.26 -0.12 0.00 -2.06 0.00 0.00 37.83 34.51 1fg8 s LYS 107 CO 0.70 0.13 1.59 0.54 0.10 0.00 0.00 175.35 178.41 1fg8 n ARG 108 N -0.53 2.53 -1.40 1.78 1.74 -1.26 -4.83 116.66 114.68 1fg8 n ARG 108 Ca -0.06 0.90 -0.42 0.00 -0.77 0.00 0.00 57.85 57.50 1fg8 n ARG 108 Cb 0.62 -2.68 -0.04 0.00 -1.02 0.00 0.00 32.46 29.34 1fg8 n ARG 108 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1fg8 n PRO 109 N 2.65 1.95 -3.40 5.56 -0.04 -1.26 -4.93 135.00 135.54 1fg8 n PRO 109 Ca 0.12 -2.13 -0.36 0.00 -0.04 0.00 0.00 63.50 61.08 1fg8 n PRO 109 Cb 0.34 -3.08 -0.06 0.00 -0.04 0.00 0.00 33.50 30.66 1fg8 n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fg8 s LEU 110 N 2.04 4.38 0.17 1.53 1.43 -1.26 -1.02 118.68 125.95 1fg8 s LEU 110 Ca 0.55 1.04 -0.02 0.00 -1.03 0.00 0.00 54.13 54.67 1fg8 s LEU 110 Cb 0.13 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 1fg8 s LEU 110 CO 0.06 0.16 0.12 0.68 0.23 0.00 0.00 176.35 177.59 1fg8 s VAL 111 N -1.37 0.04 -0.15 -1.59 -7.23 0.44 -4.97 120.40 105.58 1fg8 s VAL 111 Ca 0.34 -1.93 -0.13 0.00 -1.81 0.00 0.00 61.98 58.46 1fg8 s VAL 111 Cb -0.16 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.45 1fg8 s VAL 111 CO 0.18 -0.19 0.28 0.28 -0.31 0.00 0.00 175.10 175.35 1fg8 s THR 112 N -4.11 5.30 0.31 5.32 -1.32 -1.26 -0.77 115.64 119.11 1fg8 s THR 112 Ca 0.32 0.53 0.10 0.00 -1.21 0.00 0.00 61.69 61.43 1fg8 s THR 112 Cb 0.07 -3.62 -0.06 0.00 -1.51 0.00 0.00 72.50 67.39 1fg8 s THR 112 CO 0.08 0.42 -0.13 0.27 -2.21 0.00 0.00 174.62 173.05 1fg8 s ILE 113 N 0.23 2.23 -0.16 5.08 -4.36 0.14 -1.35 121.20 123.02 1fg8 s ILE 113 Ca 0.17 -2.27 -0.00 0.00 -0.26 0.00 0.00 60.65 58.28 1fg8 s ILE 113 Cb -0.13 -2.46 0.04 0.00 1.25 0.00 0.00 42.46 41.15 1fg8 s ILE 113 CO 0.04 -0.31 -0.06 -0.75 0.24 0.00 0.00 174.94 174.11 1fg8 s LYS 114 N -3.59 1.46 -0.03 0.37 2.20 0.01 -0.52 119.74 119.64 1fg8 s LYS 114 Ca 0.31 -0.47 0.01 0.00 -0.36 0.00 0.00 55.97 55.46 1fg8 s LYS 114 Cb -0.00 -1.92 0.02 0.00 -1.51 0.00 0.00 37.83 34.41 1fg8 s LYS 114 CO 0.15 -0.40 -0.03 -1.50 -0.36 0.00 0.00 175.35 173.21 1fg8 s ILE 115 N 1.65 0.35 -0.93 5.43 2.07 0.11 -1.81 121.20 128.07 1fg8 s ILE 115 Ca 0.02 -0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.20 1fg8 s ILE 115 Cb -0.15 -0.39 0.00 0.00 0.13 0.00 0.00 42.46 42.05 1fg8 s ILE 115 CO -0.08 0.17 0.00 0.61 -1.91 0.00 0.00 174.94 173.73 1fg8 n GLY 116 N 3.85 0.94 1.44 1.50 0.00 -1.26 -0.65 105.19 111.01 1fg8 n GLY 116 Ca -0.24 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1fg8 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fg8 n GLY 117 N -0.55 0.95 3.66 -0.02 0.00 -1.26 -4.98 105.19 102.99 1fg8 n GLY 117 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 1fg8 n GLY 117 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fg8 s GLN 118 N -0.52 3.42 0.25 1.61 0.74 0.17 -5.07 119.66 120.27 1fg8 s GLN 118 Ca 0.00 -0.38 -0.28 0.00 0.05 0.00 0.00 55.36 54.74 1fg8 s GLN 118 Cb 0.00 -2.97 -0.09 0.00 1.10 0.00 0.00 33.01 31.05 1fg8 s GLN 118 CO 0.00 0.51 0.92 -0.51 -0.55 0.00 0.00 175.29 175.66 1fg8 s LEU 119 N -0.34 4.56 0.17 3.68 1.43 -1.26 -0.71 118.68 126.21 1fg8 s LEU 119 Ca 0.08 1.88 -0.09 0.00 -1.03 0.00 0.00 54.13 54.96 1fg8 s LEU 119 Cb -0.12 -3.68 -0.01 0.00 0.03 0.00 0.00 46.19 42.41 1fg8 s LEU 119 CO 0.02 0.11 0.29 -0.54 0.23 0.00 0.00 176.35 176.46 1fg8 s LYS 120 N -1.41 1.16 -0.17 1.70 1.02 0.32 -4.97 119.74 117.39 1fg8 s LYS 120 Ca 0.43 -1.17 -0.07 0.00 0.02 0.00 0.00 55.97 55.18 1fg8 s LYS 120 Cb -0.24 0.38 -0.04 0.00 -0.52 0.00 0.00 37.83 37.42 1fg8 s LYS 120 CO 0.29 -0.43 0.04 -2.00 -0.92 0.00 0.00 175.35 172.34 1fg8 s GLU 121 N -3.97 3.90 0.09 1.68 2.12 -1.26 0.27 118.70 121.53 1fg8 s GLU 121 Ca 0.17 -0.37 0.04 0.00 0.36 0.00 0.00 54.97 55.16 1fg8 s GLU 121 Cb 0.03 -3.15 -0.03 0.00 0.26 0.00 0.00 34.13 31.24 1fg8 s GLU 121 CO 0.00 0.29 -0.10 0.00 -0.54 0.00 0.00 175.26 174.91 1fg8 s ALA 122 N 0.31 1.05 -0.24 6.30 0.00 0.05 -4.44 121.76 124.79 1fg8 s ALA 122 Ca 0.02 -1.13 -0.09 0.00 0.00 0.00 0.00 51.96 50.76 1fg8 s ALA 122 Cb -0.13 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1fg8 s ALA 122 CO 0.01 -0.02 0.12 -1.17 0.00 0.00 0.00 175.76 174.70 1fg8 s LEU 123 N -2.29 3.85 -0.45 0.00 2.96 0.53 -0.42 118.68 122.85 1fg8 s LEU 123 Ca 0.03 -0.00 -0.28 0.00 -0.22 0.00 0.00 54.13 53.66 1fg8 s LEU 123 Cb -0.04 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 1fg8 s LEU 123 CO 0.00 0.04 1.70 -0.76 -1.32 0.00 0.00 176.35 176.01 1fg8 s LEU 124 N 1.19 3.45 -0.43 -0.68 1.43 -0.19 -0.96 118.68 122.49 1fg8 s LEU 124 Ca 0.06 0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 53.95 1fg8 s LEU 124 Cb -0.14 -3.18 0.11 0.00 0.03 0.00 0.00 46.19 43.01 1fg8 s LEU 124 CO 0.05 -1.85 0.23 -0.62 0.23 0.00 0.00 176.35 174.38 1fg8 s ASP 125 N 6.09 5.27 0.08 2.29 -1.08 -0.47 -4.79 116.67 124.05 1fg8 s ASP 125 Ca 0.70 -2.08 0.17 0.00 -0.52 0.00 0.00 52.55 50.81 1fg8 s ASP 125 Cb -0.17 -1.84 0.72 0.00 -1.46 0.00 0.00 42.92 40.17 1fg8 s ASP 125 CO 0.29 -0.54 1.53 0.35 0.52 0.00 0.00 175.17 177.32 1fg8 n THR 126 N 4.53 0.97 0.25 1.71 -2.24 -1.26 -1.93 114.28 116.32 1fg8 n THR 126 Ca -0.02 0.25 0.10 0.00 -2.27 0.00 0.00 64.05 62.12 1fg8 n THR 126 Cb 0.41 -1.07 0.27 0.00 -2.10 0.00 0.00 70.33 67.84 1fg8 n THR 126 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fg8 n GLY 127 N -0.05 1.65 3.36 3.38 0.00 -1.26 -4.85 105.19 107.42 1fg8 n GLY 127 Ca 0.03 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 1fg8 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fg8 s ALA 128 N -1.33 2.74 0.16 4.61 0.00 -0.81 -4.99 121.76 122.13 1fg8 s ALA 128 Ca 0.39 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 51.28 1fg8 s ALA 128 Cb 0.21 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.90 1fg8 s ALA 128 CO 0.29 -0.03 1.48 -0.44 0.00 0.00 0.00 175.76 177.06 1fg8 h ASP 129 N 7.26 0.87 -1.72 0.00 3.32 -1.89 0.10 116.42 124.37 1fg8 h ASP 129 Ca -0.33 -0.43 -0.60 0.00 0.02 0.00 0.00 57.03 55.69 1fg8 h ASP 129 Cb 1.19 -0.25 -0.11 0.00 0.22 0.00 0.00 39.33 40.38 1fg8 h ASP 129 CO 0.59 1.19 -0.58 -1.81 -1.72 0.00 0.00 179.24 176.91 1fg8 s ASP 130 N -6.89 4.09 -0.27 6.45 1.01 -1.26 -2.83 116.67 116.97 1fg8 s ASP 130 Ca -0.10 -1.19 -0.11 0.00 0.71 0.00 0.00 52.55 51.86 1fg8 s ASP 130 Cb 0.11 -0.45 -0.05 0.00 1.01 0.00 0.00 42.92 43.55 1fg8 s ASP 130 CO 0.87 -0.42 0.20 -0.89 0.21 0.00 0.00 175.17 175.14 1fg8 s THR 131 N -2.63 5.31 -0.14 -1.27 2.01 -1.26 -2.89 115.64 114.78 1fg8 s THR 131 Ca 0.37 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.59 1fg8 s THR 131 Cb 0.05 -3.53 0.01 0.00 0.01 0.00 0.00 72.50 69.04 1fg8 s THR 131 CO 0.20 0.27 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.52 1fg8 s VAL 132 N 1.56 1.87 0.04 3.82 1.01 -0.67 -0.91 120.40 127.13 1fg8 s VAL 132 Ca 0.08 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.27 1fg8 s VAL 132 Cb -0.15 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1fg8 s VAL 132 CO 0.09 0.51 -0.14 -0.63 0.00 0.00 0.00 175.10 174.93 1fg8 s ILE 133 N 1.03 3.08 0.95 2.22 -1.09 0.15 -0.89 121.20 126.65 1fg8 s ILE 133 Ca -0.03 -1.10 -0.12 0.00 -2.23 0.00 0.00 60.65 57.17 1fg8 s ILE 133 Cb -0.15 -2.33 0.09 0.00 -1.58 0.00 0.00 42.46 38.49 1fg8 s ILE 133 CO -0.05 0.32 0.71 -1.84 -1.23 0.00 0.00 174.94 172.84 1fg8 n GLU 134 N 1.42 -0.43 -1.64 2.79 0.28 -1.25 -1.08 120.64 120.73 1fg8 n GLU 134 Ca -0.16 -0.07 -0.47 0.00 -0.16 0.00 0.00 57.16 56.30 1fg8 n GLU 134 Cb 0.52 -2.07 -0.04 0.00 1.43 0.00 0.00 31.44 31.28 1fg8 n GLU 134 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1fg8 n GLU 135 N -2.81 1.78 -3.64 3.44 0.00 -1.10 -4.46 120.64 113.86 1fg8 n GLU 135 Ca 0.09 0.64 -0.07 0.00 0.00 0.00 0.00 57.16 57.81 1fg8 n GLU 135 Cb 0.53 -2.29 -0.02 0.00 0.00 0.00 0.00 31.44 29.66 1fg8 n GLU 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1fg8 s MET 136 N 0.08 1.22 -0.17 5.31 0.23 -1.26 -5.01 119.30 119.70 1fg8 s MET 136 Ca 0.74 -0.59 -0.22 0.00 -1.03 0.00 0.00 55.69 54.59 1fg8 s MET 136 Cb -0.74 0.47 -0.02 0.00 -1.53 0.00 0.00 34.83 33.01 1fg8 s MET 136 CO 0.46 -0.55 0.70 -1.12 -2.03 0.00 0.00 175.02 172.48 1fg8 s SER 137 N -2.77 6.81 -0.05 -1.18 0.01 -1.26 -5.05 113.70 110.21 1fg8 s SER 137 Ca 0.08 0.99 0.02 0.00 1.31 0.00 0.00 55.95 58.34 1fg8 s SER 137 Cb -0.02 -2.39 0.02 0.00 0.21 0.00 0.00 66.02 63.84 1fg8 s SER 137 CO -0.03 -0.28 -0.08 -0.22 0.41 0.00 0.00 173.24 173.04 1fg8 s LEU 138 N 1.79 1.50 -0.04 2.44 2.96 -1.26 -4.97 118.68 121.10 1fg8 s LEU 138 Ca 0.33 -0.21 -0.30 0.00 -0.22 0.00 0.00 54.13 53.74 1fg8 s LEU 138 Cb -0.16 -0.62 -0.06 0.00 0.50 0.00 0.00 46.19 45.85 1fg8 s LEU 138 CO 0.12 -0.01 1.74 -2.84 -1.32 0.00 0.00 176.35 174.04 1fg8 s PRO 139 N 0.76 4.13 0.00 0.98 0.02 -1.26 -4.85 135.00 134.78 1fg8 s PRO 139 Ca -0.13 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.16 1fg8 s PRO 139 Cb -0.15 -4.04 0.00 0.00 0.02 0.00 0.00 34.50 30.33 1fg8 s PRO 139 CO 0.02 -0.92 0.00 0.41 -0.33 0.00 0.00 177.00 176.18 1fg8 n GLY 140 N 4.29 4.38 3.87 0.52 0.00 -1.26 -5.08 105.19 111.91 1fg8 n GLY 140 Ca 0.18 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 1fg8 n GLY 140 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1fg8 s ARG 141 N -3.14 3.78 0.15 1.61 3.03 -1.26 -5.09 118.95 118.04 1fg8 s ARG 141 Ca 0.00 0.60 -0.07 0.00 2.03 0.00 0.00 55.73 58.29 1fg8 s ARG 141 Cb 0.00 -2.29 -0.01 0.00 -1.03 0.00 0.00 34.95 31.62 1fg8 s ARG 141 CO 0.00 -0.17 0.23 1.67 -1.13 0.00 0.00 175.30 175.90 1fg8 s TRP 142 N -2.55 0.46 0.03 5.89 1.48 -1.26 -4.55 118.94 118.43 1fg8 s TRP 142 Ca 0.53 -0.84 0.04 0.00 -1.06 0.00 0.00 56.10 54.78 1fg8 s TRP 142 Cb -0.10 -0.14 -0.02 0.00 -1.16 0.00 0.00 33.47 32.05 1fg8 s TRP 142 CO 0.35 -0.67 -0.13 -1.59 -4.06 0.00 0.00 176.95 170.85 1fg8 s LYS 143 N -3.97 0.93 0.42 3.25 -2.85 -1.01 -4.91 119.74 111.59 1fg8 s LYS 143 Ca 0.17 -0.68 -0.25 0.00 -1.00 0.00 0.00 55.97 54.21 1fg8 s LYS 143 Cb 0.04 -0.92 -0.08 0.00 -2.06 0.00 0.00 37.83 34.81 1fg8 s LYS 143 CO -0.01 0.23 1.27 -2.14 0.10 0.00 0.00 175.35 174.81 1fg8 s PRO 144 N -0.94 3.90 0.13 1.78 0.02 -1.26 -0.61 135.00 138.01 1fg8 s PRO 144 Ca 0.02 2.07 -0.13 0.00 0.02 0.00 0.00 61.00 62.98 1fg8 s PRO 144 Cb -0.07 -2.67 0.02 0.00 0.02 0.00 0.00 34.50 31.79 1fg8 s PRO 144 CO 0.01 -0.52 0.34 0.15 -0.33 0.00 0.00 177.00 176.64 1fg8 s LYS 145 N -2.34 1.06 -0.04 5.54 3.01 -0.40 -4.84 119.74 121.72 1fg8 s LYS 145 Ca 0.59 -0.87 0.03 0.00 -1.01 0.00 0.00 55.97 54.70 1fg8 s LYS 145 Cb -0.36 0.43 0.00 0.00 -1.01 0.00 0.00 37.83 36.89 1fg8 s LYS 145 CO 0.46 -0.40 -0.12 1.41 0.51 0.00 0.00 175.35 177.21 1fg8 s MET 146 N -3.85 1.39 0.18 1.68 1.75 -1.26 -0.15 119.30 119.03 1fg8 s MET 146 Ca 0.06 -0.41 0.08 0.00 -1.25 0.00 0.00 55.69 54.17 1fg8 s MET 146 Cb 0.03 -1.22 -0.04 0.00 2.84 0.00 0.00 34.83 36.43 1fg8 s MET 146 CO -0.09 0.12 -0.17 0.96 -0.65 0.00 0.00 175.02 175.19 1fg8 s ILE 147 N 0.31 1.77 0.28 10.11 -4.36 -0.63 -4.96 121.20 123.71 1fg8 s ILE 147 Ca -0.07 -2.02 0.07 0.00 -0.26 0.00 0.00 60.65 58.38 1fg8 s ILE 147 Cb -0.12 -1.90 -0.06 0.00 1.25 0.00 0.00 42.46 41.64 1fg8 s ILE 147 CO 0.02 -0.42 -0.08 -0.83 0.24 0.00 0.00 174.94 173.87 1fg8 s GLY 148 N -2.89 1.82 0.00 6.27 0.00 -1.26 -0.59 107.32 110.66 1fg8 s GLY 148 Ca 0.18 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 43.00 1fg8 s GLY 148 CO 0.07 -1.85 0.00 0.61 0.00 0.00 0.00 173.10 171.92 1fg8 n GLY 149 N -0.58 3.07 3.72 0.20 0.00 -0.34 -4.97 105.19 106.29 1fg8 n GLY 149 Ca -0.06 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1fg8 n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fg8 s ILE 150 N -1.05 3.99 0.00 -0.61 -1.09 -1.26 -3.14 121.20 118.05 1fg8 s ILE 150 Ca 0.00 1.55 0.00 0.00 -2.23 0.00 0.00 60.65 59.97 1fg8 s ILE 150 Cb 0.00 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 1fg8 s ILE 150 CO 0.00 0.18 0.00 0.61 -1.23 0.00 0.00 174.94 174.50 1fg8 n GLY 151 N 2.68 2.88 0.00 6.18 0.00 -1.26 -4.96 105.19 110.72 1fg8 n GLY 151 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1fg8 n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fg8 n GLY 152 N 0.00 0.29 3.70 -0.02 0.00 -1.19 -5.12 105.19 102.85 1fg8 n GLY 152 Ca 0.00 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 1fg8 n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fg8 s PHE 153 N -2.89 3.15 0.15 1.61 0.40 -1.26 -1.20 117.98 117.94 1fg8 s PHE 153 Ca 0.00 0.16 0.06 0.00 -0.60 0.00 0.00 56.93 56.55 1fg8 s PHE 153 Cb 0.00 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 1fg8 s PHE 153 CO 0.00 0.48 -0.13 0.96 0.70 0.00 0.00 175.22 177.22 1fg8 s ILE 154 N -1.00 1.43 -0.10 0.64 -4.36 0.24 -4.97 121.20 113.07 1fg8 s ILE 154 Ca 0.17 -1.94 -0.16 0.00 -0.26 0.00 0.00 60.65 58.45 1fg8 s ILE 154 Cb -0.11 -1.76 -0.05 0.00 1.25 0.00 0.00 42.46 41.79 1fg8 s ILE 154 CO 0.07 -0.54 0.42 -0.54 0.24 0.00 0.00 174.94 174.58 1fg8 s LYS 155 N -3.20 4.23 0.17 0.37 3.01 -1.26 -1.61 119.74 121.46 1fg8 s LYS 155 Ca 0.15 0.36 0.04 0.00 -1.01 0.00 0.00 55.97 55.50 1fg8 s LYS 155 Cb -0.02 -3.39 -0.05 0.00 -1.01 0.00 0.00 37.83 33.37 1fg8 s LYS 155 CO 0.04 0.29 -0.06 0.14 0.51 0.00 0.00 175.35 176.27 1fg8 s VAL 156 N 0.22 1.05 -0.26 3.17 -7.23 0.79 -4.49 120.40 113.65 1fg8 s VAL 156 Ca 0.23 -2.04 -0.12 0.00 -1.81 0.00 0.00 61.98 58.24 1fg8 s VAL 156 Cb -0.15 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.72 1fg8 s VAL 156 CO 0.09 -0.59 0.25 -0.13 -0.31 0.00 0.00 175.10 174.41 1fg8 s ARG 157 N -3.81 4.02 -0.38 4.82 1.81 0.58 -1.28 118.95 124.72 1fg8 s ARG 157 Ca 0.21 -0.16 -0.19 0.00 -1.72 0.00 0.00 55.73 53.87 1fg8 s ARG 157 Cb 0.04 -3.61 0.01 0.00 -0.45 0.00 0.00 34.95 30.94 1fg8 s ARG 157 CO 0.03 -0.12 0.57 -1.14 -0.68 0.00 0.00 175.30 173.96 1fg8 s GLN 158 N 1.58 3.51 -0.18 3.54 0.74 0.22 -0.93 119.66 128.15 1fg8 s GLN 158 Ca 0.10 -0.21 -0.06 0.00 0.05 0.00 0.00 55.36 55.24 1fg8 s GLN 158 Cb -0.15 -3.85 -0.04 0.00 1.10 0.00 0.00 33.01 30.07 1fg8 s GLN 158 CO 0.09 -0.77 0.04 0.71 -0.55 0.00 0.00 175.29 174.80 1fg8 s TYR 159 N 2.55 3.19 0.13 1.67 1.51 -0.01 -2.42 117.35 123.96 1fg8 s TYR 159 Ca 0.20 -0.04 0.02 0.00 -1.01 0.00 0.00 57.07 56.25 1fg8 s TYR 159 Cb -0.15 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.61 1fg8 s TYR 159 CO 0.15 0.09 0.24 -0.51 -1.11 0.00 0.00 175.55 174.41 1fg8 s ASP 160 N 0.40 6.19 -1.50 2.29 1.01 -1.26 -0.12 116.67 123.68 1fg8 s ASP 160 Ca 0.01 0.14 -0.06 0.00 0.71 0.00 0.00 52.55 53.36 1fg8 s ASP 160 Cb -0.13 -1.83 0.05 0.00 1.01 0.00 0.00 42.92 42.02 1fg8 s ASP 160 CO 0.01 0.09 0.54 1.67 0.21 0.00 0.00 175.17 177.68 1fg8 n GLN 161 N -0.27 -3.32 -3.04 8.23 7.27 -1.16 -4.85 117.38 120.24 1fg8 n GLN 161 Ca -0.07 0.40 -0.40 0.00 0.07 0.00 0.00 57.00 57.00 1fg8 n GLN 161 Cb 0.53 -4.71 -0.05 0.00 2.41 0.00 0.00 30.24 28.43 1fg8 n GLN 161 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1fg8 s ILE 162 N -3.76 5.03 -0.07 1.69 -1.09 0.13 -4.60 121.20 118.52 1fg8 s ILE 162 Ca 0.24 1.44 -0.30 0.00 -2.23 0.00 0.00 60.65 59.80 1fg8 s ILE 162 Cb -0.13 -4.04 -0.02 0.00 -1.58 0.00 0.00 42.46 36.69 1fg8 s ILE 162 CO 0.90 0.21 1.06 -0.63 -1.23 0.00 0.00 174.94 175.25 1fg8 s ILE 163 N 1.06 4.64 -0.07 2.92 1.01 -1.26 -1.71 121.20 127.78 1fg8 s ILE 163 Ca 0.37 1.91 -0.05 0.00 0.00 0.00 0.00 60.65 62.88 1fg8 s ILE 163 Cb -0.17 -4.23 0.03 0.00 0.01 0.00 0.00 42.46 38.10 1fg8 s ILE 163 CO 0.17 0.03 0.18 -0.51 0.00 0.00 0.00 174.94 174.80 1fg8 s ILE 164 N 1.89 -0.02 -0.24 2.92 2.07 -0.04 -4.47 121.20 123.31 1fg8 s ILE 164 Ca 0.51 0.08 -0.09 0.00 -1.41 0.00 0.00 60.65 59.74 1fg8 s ILE 164 Cb -0.21 -0.27 -0.04 0.00 0.13 0.00 0.00 42.46 42.07 1fg8 s ILE 164 CO 0.21 0.03 0.13 -0.70 -1.91 0.00 0.00 174.94 172.70 1fg8 s GLU 165 N 0.64 3.93 -0.33 3.50 2.12 -0.75 -0.93 118.70 126.88 1fg8 s GLU 165 Ca -0.05 -0.34 -0.01 0.00 0.36 0.00 0.00 54.97 54.93 1fg8 s GLU 165 Cb -0.06 -3.47 0.07 0.00 0.26 0.00 0.00 34.13 30.93 1fg8 s GLU 165 CO -0.03 -0.02 0.05 0.42 -0.54 0.00 0.00 175.26 175.13 1fg8 s ILE 166 N 1.24 2.98 -1.41 -3.70 1.01 0.32 -0.81 121.20 120.83 1fg8 s ILE 166 Ca 0.06 -1.62 -0.07 0.00 0.00 0.00 0.00 60.65 59.02 1fg8 s ILE 166 Cb -0.14 -2.83 0.04 0.00 0.01 0.00 0.00 42.46 39.54 1fg8 s ILE 166 CO 0.05 -0.28 0.88 0.00 0.00 0.00 0.00 174.94 175.59 1fg8 n ALA 167 N 4.58 -1.63 -0.10 9.38 0.00 -0.45 -1.04 120.51 131.25 1fg8 n ALA 167 Ca -0.09 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1fg8 n ALA 167 Cb 0.43 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.47 1fg8 n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fg8 n GLY 168 N -1.65 2.22 3.81 0.00 0.00 -1.26 -5.01 105.19 103.29 1fg8 n GLY 168 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 1fg8 n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1fg8 s HIS 169 N -2.90 3.48 0.00 1.61 4.02 -0.21 -5.08 115.29 116.22 1fg8 s HIS 169 Ca 0.00 0.41 -0.15 0.00 1.02 0.00 0.00 55.06 56.34 1fg8 s HIS 169 Cb 0.00 -1.96 -0.06 0.00 -1.02 0.00 0.00 32.58 29.54 1fg8 s HIS 169 CO 0.00 0.59 0.42 0.15 1.02 0.00 0.00 174.74 176.91 1fg8 s LYS 170 N -0.70 3.94 0.03 1.40 1.02 -1.26 0.12 119.74 124.30 1fg8 s LYS 170 Ca 0.13 0.43 -0.01 0.00 0.02 0.00 0.00 55.97 56.53 1fg8 s LYS 170 Cb -0.12 -3.23 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 1fg8 s LYS 170 CO 0.03 0.67 -0.01 0.00 -0.92 0.00 0.00 175.35 175.12 1fg8 s ALA 171 N -1.03 0.21 -0.18 5.17 0.00 -0.11 -4.69 121.76 121.14 1fg8 s ALA 171 Ca 0.24 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.37 1fg8 s ALA 171 Cb -0.17 0.20 0.07 0.00 0.00 0.00 0.00 23.12 23.23 1fg8 s ALA 171 CO 0.14 -0.25 0.14 0.42 0.00 0.00 0.00 175.76 176.20 1fg8 s ILE 172 N -2.44 -0.17 0.00 0.00 1.01 -1.26 -0.86 121.20 117.48 1fg8 s ILE 172 Ca -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.43 1fg8 s ILE 172 Cb -0.03 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 41.83 1fg8 s ILE 172 CO -0.04 -0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.24 1fg8 n GLY 173 N 5.29 1.39 3.72 6.18 0.00 -0.69 -4.77 105.19 116.30 1fg8 n GLY 173 Ca -0.06 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1fg8 n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fg8 s THR 174 N -2.39 3.46 -0.11 2.61 2.01 -1.26 0.19 115.64 120.15 1fg8 s THR 174 Ca 0.00 1.06 0.01 0.00 0.31 0.00 0.00 61.69 63.07 1fg8 s THR 174 Cb 0.00 -3.68 0.02 0.00 0.01 0.00 0.00 72.50 68.85 1fg8 s THR 174 CO 0.00 0.09 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.18 1fg8 s VAL 175 N 1.05 1.44 -0.19 3.82 1.01 0.83 -4.54 120.40 123.82 1fg8 s VAL 175 Ca 0.63 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 1fg8 s VAL 175 Cb -0.35 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1fg8 s VAL 175 CO 0.30 0.43 0.20 -0.76 0.00 0.00 0.00 175.10 175.27 1fg8 s LEU 176 N 1.11 4.21 -0.18 3.92 1.43 -0.09 -0.83 118.68 128.25 1fg8 s LEU 176 Ca -0.04 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1fg8 s LEU 176 Cb -0.14 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.88 1fg8 s LEU 176 CO -0.03 0.13 -0.16 -0.69 0.23 0.00 0.00 176.35 175.83 1fg8 s VAL 177 N 0.48 2.43 0.03 -1.59 1.01 -0.11 0.30 120.40 122.96 1fg8 s VAL 177 Ca 0.11 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 1fg8 s VAL 177 Cb -0.12 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.24 1fg8 s VAL 177 CO 0.01 0.51 0.26 0.61 0.00 0.00 0.00 175.10 176.49 1fg8 n GLY 178 N 4.45 1.00 2.66 4.51 0.00 -0.24 -0.31 105.19 117.25 1fg8 n GLY 178 Ca -0.20 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 1fg8 n GLY 178 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fg8 n PRO 179 N -0.18 2.27 -3.36 1.61 -0.04 -1.26 -2.69 135.00 131.35 1fg8 n PRO 179 Ca -0.00 -1.70 -0.33 0.00 -0.04 0.00 0.00 63.50 61.43 1fg8 n PRO 179 Cb 0.14 -2.63 -0.06 0.00 -0.04 0.00 0.00 33.50 30.91 1fg8 n PRO 179 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1fg8 s THR 180 N 3.48 4.87 0.29 0.52 -1.32 -1.26 -4.98 115.64 117.24 1fg8 s THR 180 Ca 0.47 0.67 -0.00 0.00 -1.21 0.00 0.00 61.69 61.62 1fg8 s THR 180 Cb 0.12 -3.66 0.28 0.00 -1.51 0.00 0.00 72.50 67.73 1fg8 s THR 180 CO -0.02 0.03 1.91 -0.65 -2.21 0.00 0.00 174.62 173.69 1fg8 h PRO 181 N 2.89 1.05 -3.52 7.08 0.11 -1.98 -3.45 132.00 134.17 1fg8 h PRO 181 Ca -0.48 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.48 1fg8 h PRO 181 Cb 1.18 -0.24 -0.16 0.00 0.11 0.00 0.00 31.00 31.89 1fg8 h PRO 181 CO 0.67 0.70 -0.31 0.14 -0.21 0.00 0.00 178.00 178.99 1fg8 s VAL 182 N -5.94 0.11 0.06 3.15 -7.23 -1.26 -5.10 120.40 104.18 1fg8 s VAL 182 Ca -0.12 -0.87 -0.31 0.00 -1.81 0.00 0.00 61.98 58.88 1fg8 s VAL 182 Cb 0.20 -1.06 -0.07 0.00 0.56 0.00 0.00 36.38 36.01 1fg8 s VAL 182 CO 0.80 -0.48 1.39 0.20 -0.31 0.00 0.00 175.10 176.70 1fg8 s ASN 183 N -2.35 6.85 -0.01 4.85 0.01 -1.26 -4.78 114.94 118.24 1fg8 s ASN 183 Ca -0.02 2.21 0.05 0.00 -0.71 0.00 0.00 52.86 54.39 1fg8 s ASN 183 Cb 0.01 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.08 1fg8 s ASN 183 CO -0.06 -0.68 -0.16 0.27 -1.51 0.00 0.00 177.10 174.96 1fg8 s ILE 184 N 1.77 1.24 -0.35 0.60 -5.25 -0.07 -0.35 121.20 118.79 1fg8 s ILE 184 Ca 0.64 -0.67 -0.10 0.00 -0.99 0.00 0.00 60.65 59.53 1fg8 s ILE 184 Cb -0.34 -1.04 0.02 0.00 2.95 0.00 0.00 42.46 44.05 1fg8 s ILE 184 CO 0.29 0.35 0.18 -0.63 -1.79 0.00 0.00 174.94 173.34 1fg8 s ILE 185 N -0.36 4.51 0.54 8.37 -1.09 -0.14 -1.67 121.20 131.38 1fg8 s ILE 185 Ca 0.06 -0.76 -0.07 0.00 -2.23 0.00 0.00 60.65 57.66 1fg8 s ILE 185 Cb -0.06 -3.46 0.12 0.00 -1.58 0.00 0.00 42.46 37.48 1fg8 s ILE 185 CO -0.01 -0.14 0.74 0.61 -1.23 0.00 0.00 174.94 174.91 1fg8 n GLY 186 N 4.98 -0.61 0.28 6.18 0.00 -1.14 -1.37 105.19 113.50 1fg8 n GLY 186 Ca -0.12 -1.81 0.14 0.00 0.00 0.00 0.00 46.02 44.23 1fg8 n GLY 186 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1fg8 h ARG 187 N 0.00 0.00 -0.98 1.61 3.08 -0.79 -1.42 114.38 115.88 1fg8 h ARG 187 Ca -0.24 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.81 1fg8 h ARG 187 Cb 0.74 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.74 1fg8 h ARG 187 CO 0.20 0.06 0.64 0.38 -1.07 0.00 0.00 179.97 180.17 1fg8 h ASP 188 N 0.00 1.13 0.19 7.04 2.03 -1.78 -1.70 116.42 123.32 1fg8 h ASP 188 Ca -0.00 -0.04 -0.34 0.00 -0.73 0.00 0.00 57.03 55.92 1fg8 h ASP 188 Cb 0.15 -0.28 -0.06 0.00 -0.83 0.00 0.00 39.33 38.31 1fg8 h ASP 188 CO 0.01 0.83 -2.12 0.18 -1.03 0.00 0.00 179.24 177.10 1fg8 n LEU 189 N -4.39 0.38 -0.23 0.15 4.77 -1.02 -3.91 117.00 112.75 1fg8 n LEU 189 Ca 0.11 0.16 0.02 0.00 -0.03 0.00 0.00 56.01 56.28 1fg8 n LEU 189 Cb 0.02 0.35 0.27 0.00 -2.33 0.00 0.00 43.42 41.73 1fg8 n LEU 189 CO 0.37 0.46 1.24 -0.07 -1.33 0.00 0.00 177.39 178.06 1fg8 h LEU 190 N 0.00 0.83 -0.84 2.23 3.38 -1.20 -1.12 115.31 118.60 1fg8 h LEU 190 Ca -0.45 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.40 1fg8 h LEU 190 Cb 2.15 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.70 1fg8 h LEU 190 CO 0.05 0.58 -0.41 0.71 0.09 0.00 0.00 178.44 179.45 1fg8 h THR 191 N 0.97 1.31 -0.33 0.22 1.35 -1.47 -0.98 112.91 113.97 1fg8 h THR 191 Ca 0.31 -1.56 -0.03 0.00 -0.55 0.00 0.00 66.41 64.58 1fg8 h THR 191 Cb 0.03 1.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.08 1fg8 h THR 191 CO -0.09 0.47 0.06 1.56 -0.25 0.00 0.00 175.52 177.28 1fg8 h GLN 192 N 0.29 0.49 -0.17 4.72 4.20 -1.33 -2.14 115.11 121.17 1fg8 h GLN 192 Ca 0.03 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1fg8 h GLN 192 Cb 0.86 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1fg8 h GLN 192 CO 0.07 0.47 0.00 0.44 -0.67 0.00 0.00 178.83 179.14 1fg8 n ILE 193 N -4.34 0.21 -2.07 2.54 -5.35 -0.98 -4.94 119.36 104.43 1fg8 n ILE 193 Ca 0.02 -0.45 -0.03 0.00 -0.27 0.00 0.00 62.75 62.02 1fg8 n ILE 193 Cb 0.19 0.71 -0.00 0.00 -1.74 0.00 0.00 39.64 38.81 1fg8 n ILE 193 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fg8 n GLY 194 N 1.27 0.26 3.75 3.28 0.00 -0.80 -5.03 105.19 107.91 1fg8 n GLY 194 Ca 0.17 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 1fg8 n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fg8 s ALA 195 N -2.17 3.36 0.06 4.61 0.00 -0.40 -5.02 121.76 122.20 1fg8 s ALA 195 Ca 0.00 0.72 -0.00 0.00 0.00 0.00 0.00 51.96 52.68 1fg8 s ALA 195 Cb -0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1fg8 s ALA 195 CO 0.00 0.08 -0.04 0.95 0.00 0.00 0.00 175.76 176.75 1fg8 s THR 196 N -1.18 0.34 -0.13 0.00 -4.23 -1.26 -4.69 115.64 104.49 1fg8 s THR 196 Ca 0.42 -1.71 -0.07 0.00 -1.18 0.00 0.00 61.69 59.16 1fg8 s THR 196 Cb -0.28 -1.38 -0.04 0.00 1.34 0.00 0.00 72.50 72.14 1fg8 s THR 196 CO 0.35 -0.89 0.11 -0.76 -0.54 0.00 0.00 174.62 172.89 1fg8 s LEU 197 N -2.73 4.17 0.00 4.79 1.43 -1.26 -5.09 118.68 119.98 1fg8 s LEU 197 Ca 0.05 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.50 1fg8 s LEU 197 Cb 0.05 -2.02 -0.00 0.00 0.03 0.00 0.00 46.19 44.24 1fg8 s LEU 197 CO -0.07 0.35 -0.03 0.20 0.23 0.00 0.00 176.35 177.03 1fg8 s ASN 198 N -0.66 0.29 0.00 2.29 0.01 -1.26 -5.29 114.94 110.32 1fg8 s ASN 198 Ca 0.12 -0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.20 1fg8 s ASN 198 Cb -0.12 -0.02 0.00 0.00 0.41 0.00 0.00 41.25 41.52 1fg8 s ASN 198 CO 0.02 0.01 0.00 2.22 -1.51 0.00 0.00 177.10 177.84