#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d20 s GLN 102 N 0.00 2.25 -0.29 0.54 0.74 -1.26 -5.10 119.66 116.55 3d20 s GLN 102 Ca 0.00 -1.36 -0.10 0.00 0.05 0.00 0.00 55.36 53.95 3d20 s GLN 102 Cb 0.00 -3.00 -0.03 0.00 1.10 0.00 0.00 33.01 31.08 3d20 s GLN 102 CO 0.00 -0.61 0.16 0.42 -0.55 0.00 0.00 175.29 174.71 3d20 s ILE 103 N 1.13 4.87 0.83 -2.34 1.01 -1.26 -5.09 121.20 120.36 3d20 s ILE 103 Ca -0.07 -0.13 -0.12 0.00 0.00 0.00 0.00 60.65 60.32 3d20 s ILE 103 Cb -0.20 -3.38 0.10 0.00 0.01 0.00 0.00 42.46 38.98 3d20 s ILE 103 CO -0.04 0.18 1.20 0.42 0.00 0.00 0.00 174.94 176.70 3d20 s THR 104 N 1.68 2.01 -0.13 2.92 -4.23 -1.26 -5.03 115.64 111.60 3d20 s THR 104 Ca 0.06 -0.01 0.17 0.00 -1.18 0.00 0.00 61.69 60.73 3d20 s THR 104 Cb -0.16 -3.00 0.29 0.00 1.34 0.00 0.00 72.50 70.97 3d20 s THR 104 CO 0.08 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.49 3d20 n LEU 105 N -3.37 2.20 0.22 4.79 4.77 -1.26 -4.63 117.00 119.72 3d20 n LEU 105 Ca 0.09 -3.03 0.07 0.00 -0.03 0.00 0.00 56.01 53.11 3d20 n LEU 105 Cb 0.61 -0.40 0.49 0.00 -2.33 0.00 0.00 43.42 41.78 3d20 n LEU 105 CO 0.55 0.77 0.82 -0.50 -1.33 0.00 0.00 177.39 177.70 3d20 h TRP 106 N 0.15 0.00 -2.38 -1.77 4.06 -2.05 -3.43 115.95 110.52 3d20 h TRP 106 Ca -0.00 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.41 3d20 h TRP 106 Cb 1.04 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.07 3d20 h TRP 106 CO 0.11 0.27 -0.63 -1.59 -3.56 0.00 0.00 178.44 173.04 3d20 s LYS 107 N -4.13 1.73 0.31 0.49 -2.85 -1.26 -5.11 119.74 108.91 3d20 s LYS 107 Ca -0.02 -1.95 -0.30 0.00 -1.00 0.00 0.00 55.97 52.70 3d20 s LYS 107 Cb 0.13 -1.22 -0.12 0.00 -2.06 0.00 0.00 37.83 34.56 3d20 s LYS 107 CO 0.67 -0.07 1.57 0.54 0.10 0.00 0.00 175.35 178.16 3d20 n ARG 108 N -0.76 2.67 -2.35 1.78 1.74 -1.26 -4.86 116.66 113.63 3d20 n ARG 108 Ca -0.04 0.95 -0.43 0.00 -0.77 0.00 0.00 57.85 57.56 3d20 n ARG 108 Cb 0.66 -2.72 0.00 0.00 -1.02 0.00 0.00 32.46 29.38 3d20 n ARG 108 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3d20 n PRO 109 N 1.83 3.13 -3.30 5.56 -0.04 -1.26 -4.94 135.00 135.98 3d20 n PRO 109 Ca 0.07 -3.13 -0.38 0.00 -0.04 0.00 0.00 63.50 60.02 3d20 n PRO 109 Cb 0.37 -3.38 -0.06 0.00 -0.04 0.00 0.00 33.50 30.39 3d20 n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3d20 s LEU 110 N 3.25 4.48 0.19 1.53 1.43 -1.26 -1.06 118.68 127.24 3d20 s LEU 110 Ca 0.50 1.16 0.01 0.00 -1.03 0.00 0.00 54.13 54.78 3d20 s LEU 110 Cb 0.07 -2.84 -0.05 0.00 0.03 0.00 0.00 46.19 43.40 3d20 s LEU 110 CO 0.02 0.23 0.05 0.68 0.23 0.00 0.00 176.35 177.56 3d20 s VAL 111 N -0.80 0.47 0.01 -1.59 -7.23 0.05 -4.96 120.40 106.35 3d20 s VAL 111 Ca 0.28 -1.97 -0.22 0.00 -1.81 0.00 0.00 61.98 58.26 3d20 s VAL 111 Cb -0.18 -2.28 -0.05 0.00 0.56 0.00 0.00 36.38 34.42 3d20 s VAL 111 CO 0.17 -0.30 0.64 -0.89 -0.31 0.00 0.00 175.10 174.41 3d20 s THR 112 N -3.80 4.85 0.27 5.32 2.01 -1.26 -1.07 115.64 121.95 3d20 s THR 112 Ca 0.29 1.35 0.11 0.00 0.31 0.00 0.00 61.69 63.76 3d20 s THR 112 Cb 0.07 -3.98 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 3d20 s THR 112 CO 0.07 0.41 -0.16 0.27 -0.69 0.00 0.00 174.62 174.52 3d20 s ILE 113 N -0.21 2.69 -0.09 1.82 -4.36 0.61 -0.80 121.20 120.87 3d20 s ILE 113 Ca 0.33 -2.28 0.01 0.00 -0.26 0.00 0.00 60.65 58.45 3d20 s ILE 113 Cb -0.19 -2.41 0.02 0.00 1.25 0.00 0.00 42.46 41.13 3d20 s ILE 113 CO 0.19 -0.38 -0.10 -0.75 0.24 0.00 0.00 174.94 174.14 3d20 s LYS 114 N -3.51 1.66 -0.09 0.37 2.20 -0.25 -1.02 119.74 119.10 3d20 s LYS 114 Ca 0.30 -0.35 -0.05 0.00 -0.36 0.00 0.00 55.97 55.51 3d20 s LYS 114 Cb -0.05 -1.53 0.04 0.00 -1.51 0.00 0.00 37.83 34.77 3d20 s LYS 114 CO 0.16 -0.13 0.21 -1.50 -0.36 0.00 0.00 175.35 173.73 3d20 s ILE 115 N 1.20 -0.04 -1.79 5.43 2.07 -0.59 -1.43 121.20 126.05 3d20 s ILE 115 Ca -0.04 0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 3d20 s ILE 115 Cb -0.14 -0.32 0.00 0.00 0.13 0.00 0.00 42.46 42.13 3d20 s ILE 115 CO -0.03 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.67 3d20 n GLY 116 N 4.03 -0.44 2.77 1.50 0.00 -1.26 -1.54 105.19 110.24 3d20 n GLY 116 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3d20 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d20 n GLY 117 N -1.00 0.74 3.45 -0.02 0.00 -1.26 -5.00 105.19 102.09 3d20 n GLY 117 Ca -0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 3d20 n GLY 117 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d20 s GLN 118 N -0.15 2.45 0.08 1.61 -0.21 -0.59 -5.11 119.66 117.75 3d20 s GLN 118 Ca 0.00 -0.74 -0.24 0.00 0.02 0.00 0.00 55.36 54.41 3d20 s GLN 118 Cb 0.00 -2.32 -0.06 0.00 1.00 0.00 0.00 33.01 31.62 3d20 s GLN 118 CO 0.00 0.60 0.72 -0.51 -2.12 0.00 0.00 175.29 173.98 3d20 s LEU 119 N -0.69 4.51 0.07 2.90 1.43 -1.26 -1.53 118.68 124.10 3d20 s LEU 119 Ca 0.11 1.45 -0.00 0.00 -1.03 0.00 0.00 54.13 54.66 3d20 s LEU 119 Cb -0.11 -3.17 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 3d20 s LEU 119 CO 0.00 0.13 -0.03 -0.54 0.23 0.00 0.00 176.35 176.14 3d20 s LYS 120 N -0.59 0.69 0.03 1.70 1.02 -0.19 -4.98 119.74 117.41 3d20 s LYS 120 Ca 0.35 -1.26 -0.15 0.00 0.02 0.00 0.00 55.97 54.93 3d20 s LYS 120 Cb -0.21 0.10 -0.06 0.00 -0.52 0.00 0.00 37.83 37.15 3d20 s LYS 120 CO 0.23 -0.09 0.44 -2.00 -0.92 0.00 0.00 175.35 173.00 3d20 s GLU 121 N -3.90 3.94 0.08 1.68 2.12 -1.26 -0.28 118.70 121.07 3d20 s GLU 121 Ca 0.09 0.44 -0.08 0.00 0.36 0.00 0.00 54.97 55.78 3d20 s GLU 121 Cb 0.07 -3.18 -0.00 0.00 0.26 0.00 0.00 34.13 31.28 3d20 s GLU 121 CO -0.08 0.66 0.18 0.00 -0.54 0.00 0.00 175.26 175.48 3d20 s ALA 122 N -1.14 -0.22 -0.23 6.30 0.00 -0.23 -4.42 121.76 121.81 3d20 s ALA 122 Ca 0.26 -0.58 -0.10 0.00 0.00 0.00 0.00 51.96 51.55 3d20 s ALA 122 Cb -0.17 0.43 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 3d20 s ALA 122 CO 0.15 -0.47 0.15 -1.17 0.00 0.00 0.00 175.76 174.42 3d20 s LEU 123 N -2.70 4.11 -0.23 0.00 2.96 0.22 -0.77 118.68 122.27 3d20 s LEU 123 Ca 0.03 0.13 -0.29 0.00 -0.22 0.00 0.00 54.13 53.78 3d20 s LEU 123 Cb 0.04 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 3d20 s LEU 123 CO -0.10 0.09 1.29 -0.76 -1.32 0.00 0.00 176.35 175.56 3d20 s LEU 124 N 0.90 4.03 -0.37 -0.68 1.43 -0.22 -0.65 118.68 123.12 3d20 s LEU 124 Ca 0.07 1.46 0.01 0.00 -1.03 0.00 0.00 54.13 54.65 3d20 s LEU 124 Cb -0.13 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.67 3d20 s LEU 124 CO 0.03 -0.93 0.16 -0.62 0.23 0.00 0.00 176.35 175.23 3d20 s ASP 125 N 2.44 3.85 0.52 2.29 -1.08 -0.29 -4.78 116.67 119.63 3d20 s ASP 125 Ca 0.56 -2.14 0.34 0.00 -0.52 0.00 0.00 52.55 50.80 3d20 s ASP 125 Cb -0.19 -0.96 1.62 0.00 -1.46 0.00 0.00 42.92 41.92 3d20 s ASP 125 CO 0.19 -0.34 2.03 0.71 0.52 0.00 0.00 175.17 178.28 3d20 h THR 126 N 5.87 0.00 -0.03 1.71 1.35 -1.94 -2.15 112.91 117.72 3d20 h THR 126 Ca -0.07 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3d20 h THR 126 Cb 0.97 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3d20 h THR 126 CO 0.47 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 3d20 n GLY 127 N -0.44 -0.38 3.52 5.82 0.00 -1.26 -4.79 105.19 107.66 3d20 n GLY 127 Ca -0.00 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 3d20 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d20 s ALA 128 N -1.97 3.28 0.26 4.61 0.00 -0.81 -4.97 121.76 122.16 3d20 s ALA 128 Ca 0.40 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 3d20 s ALA 128 Cb 0.20 -2.09 0.34 0.00 0.00 0.00 0.00 23.12 21.57 3d20 s ALA 128 CO 0.33 -0.31 1.78 -0.44 0.00 0.00 0.00 175.76 177.12 3d20 h ASP 129 N 7.82 0.79 -4.07 0.00 3.32 -1.86 0.55 116.42 122.96 3d20 h ASP 129 Ca -0.37 -0.17 -0.55 0.00 0.02 0.00 0.00 57.03 55.96 3d20 h ASP 129 Cb 1.18 -0.21 -0.21 0.00 0.22 0.00 0.00 39.33 40.31 3d20 h ASP 129 CO 0.61 0.82 -0.82 -1.81 -1.72 0.00 0.00 179.24 176.32 3d20 s ASP 130 N -6.60 2.56 -0.06 6.45 1.01 -1.26 -2.38 116.67 116.39 3d20 s ASP 130 Ca -0.10 -0.72 -0.30 0.00 0.71 0.00 0.00 52.55 52.15 3d20 s ASP 130 Cb 0.15 -0.14 -0.02 0.00 1.01 0.00 0.00 42.92 43.92 3d20 s ASP 130 CO 0.81 0.04 0.98 -0.89 0.21 0.00 0.00 175.17 176.33 3d20 s THR 131 N -1.32 4.83 -0.07 -1.27 2.01 -1.26 -3.68 115.64 114.88 3d20 s THR 131 Ca 0.08 2.03 0.00 0.00 0.31 0.00 0.00 61.69 64.11 3d20 s THR 131 Cb -0.09 -4.31 0.02 0.00 0.01 0.00 0.00 72.50 68.13 3d20 s THR 131 CO 0.05 0.08 -0.06 0.54 -0.69 0.00 0.00 174.62 174.54 3d20 s VAL 132 N 1.53 0.75 0.19 3.82 0.11 -0.41 -1.12 120.40 125.27 3d20 s VAL 132 Ca 0.50 -0.19 0.11 0.00 -2.93 0.00 0.00 61.98 59.47 3d20 s VAL 132 Cb -0.19 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 3d20 s VAL 132 CO 0.22 0.30 -0.23 0.27 -3.33 0.00 0.00 175.10 172.33 3d20 s ILE 133 N 1.29 2.29 0.82 7.04 -4.36 0.40 -0.71 121.20 127.97 3d20 s ILE 133 Ca -0.04 -2.04 -0.11 0.00 -0.26 0.00 0.00 60.65 58.20 3d20 s ILE 133 Cb -0.14 -2.09 0.09 0.00 1.25 0.00 0.00 42.46 41.57 3d20 s ILE 133 CO -0.02 -0.16 1.14 -1.61 0.24 0.00 0.00 174.94 174.53 3d20 s GLU 134 N -2.73 1.73 -0.16 0.37 2.02 -1.26 -1.68 118.70 116.99 3d20 s GLU 134 Ca 0.20 1.46 -0.42 0.00 0.02 0.00 0.00 54.97 56.24 3d20 s GLU 134 Cb -0.07 -1.81 -0.19 0.00 0.10 0.00 0.00 34.13 32.15 3d20 s GLU 134 CO 0.10 -2.09 1.34 -1.91 0.02 0.00 0.00 175.26 172.71 3d20 n GLU 135 N -3.62 0.30 -3.71 1.61 4.07 -1.26 -4.72 120.64 113.32 3d20 n GLU 135 Ca 0.11 0.11 -0.07 0.00 -0.06 0.00 0.00 57.16 57.26 3d20 n GLU 135 Cb 0.52 -1.65 -0.02 0.00 -0.06 0.00 0.00 31.44 30.23 3d20 n GLU 135 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3d20 s MET 136 N 1.32 1.35 -0.09 5.31 0.23 -1.26 -5.08 119.30 121.08 3d20 s MET 136 Ca 0.95 -0.69 -0.18 0.00 -1.03 0.00 0.00 55.69 54.73 3d20 s MET 136 Cb -1.27 0.50 -0.04 0.00 -1.53 0.00 0.00 34.83 32.49 3d20 s MET 136 CO 0.64 -0.61 0.49 0.45 -2.03 0.00 0.00 175.02 173.95 3d20 s SER 137 N -2.84 6.74 0.09 -1.18 0.15 -1.26 -5.07 113.70 110.32 3d20 s SER 137 Ca 0.09 0.88 0.06 0.00 0.70 0.00 0.00 55.95 57.68 3d20 s SER 137 Cb -0.03 -2.29 -0.03 0.00 -1.71 0.00 0.00 66.02 61.96 3d20 s SER 137 CO 0.00 0.05 -0.16 -0.76 1.20 0.00 0.00 173.24 173.57 3d20 s LEU 138 N 0.34 2.30 0.59 3.45 1.43 -1.26 -4.97 118.68 120.56 3d20 s LEU 138 Ca 0.27 -0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 3d20 s LEU 138 Cb -0.16 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.40 3d20 s LEU 138 CO 0.12 -0.05 1.00 -2.16 0.23 0.00 0.00 176.35 175.49 3d20 s PRO 139 N -1.90 3.63 0.55 1.29 0.04 -1.26 -4.96 135.00 132.39 3d20 s PRO 139 Ca 0.02 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.77 3d20 s PRO 139 Cb -0.09 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3d20 s PRO 139 CO 0.03 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 176.98 3d20 n GLY 140 N -2.57 -1.89 3.90 0.56 0.00 -1.26 -4.94 105.19 98.98 3d20 n GLY 140 Ca 0.05 -1.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.06 3d20 n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d20 s ARG 141 N 0.00 3.64 0.22 1.61 0.52 -1.26 -5.10 118.95 118.58 3d20 s ARG 141 Ca 0.00 0.25 0.07 0.00 -0.52 0.00 0.00 55.73 55.53 3d20 s ARG 141 Cb 0.00 -2.44 -0.05 0.00 0.52 0.00 0.00 34.95 32.98 3d20 s ARG 141 CO 0.00 -0.06 -0.12 1.67 0.02 0.00 0.00 175.30 176.81 3d20 s TRP 142 N -2.47 1.73 0.16 -0.53 1.48 -1.26 -4.56 118.94 113.49 3d20 s TRP 142 Ca 0.48 -0.62 0.08 0.00 -1.06 0.00 0.00 56.10 54.98 3d20 s TRP 142 Cb -0.10 -0.86 -0.04 0.00 -1.16 0.00 0.00 33.47 31.31 3d20 s TRP 142 CO 0.37 0.31 -0.17 0.15 -4.06 0.00 0.00 176.95 173.56 3d20 s LYS 143 N -3.67 1.22 0.35 3.25 1.02 -0.49 -4.92 119.74 116.49 3d20 s LYS 143 Ca 0.24 -1.39 -0.20 0.00 0.02 0.00 0.00 55.97 54.65 3d20 s LYS 143 Cb 0.01 -1.20 -0.10 0.00 -0.52 0.00 0.00 37.83 36.02 3d20 s LYS 143 CO 0.08 0.24 0.85 -1.25 -0.92 0.00 0.00 175.35 174.34 3d20 s PRO 144 N -2.86 4.22 -0.09 -1.68 0.04 -1.26 -0.69 135.00 132.69 3d20 s PRO 144 Ca 0.15 0.98 -0.13 0.00 0.04 0.00 0.00 61.00 62.03 3d20 s PRO 144 Cb -0.05 -2.47 0.03 0.00 0.04 0.00 0.00 34.50 32.05 3d20 s PRO 144 CO 0.06 0.14 0.33 0.21 0.04 0.00 0.00 177.00 177.78 3d20 s LYS 145 N -2.75 0.49 -0.17 4.56 2.47 -1.09 -4.85 119.74 118.41 3d20 s LYS 145 Ca 0.55 0.25 -0.05 0.00 -1.56 0.00 0.00 55.97 55.16 3d20 s LYS 145 Cb -0.12 0.23 -0.03 0.00 -1.46 0.00 0.00 37.83 36.45 3d20 s LYS 145 CO 0.17 -0.09 -0.01 -1.64 0.16 0.00 0.00 175.35 173.94 3d20 s MET 146 N -0.33 3.75 0.15 4.03 -1.94 -1.26 -0.97 119.30 122.73 3d20 s MET 146 Ca -0.05 -0.47 0.09 0.00 -1.71 0.00 0.00 55.69 53.56 3d20 s MET 146 Cb -0.03 -3.01 -0.04 0.00 2.01 0.00 0.00 34.83 33.75 3d20 s MET 146 CO 0.02 0.23 -0.22 0.96 -0.01 0.00 0.00 175.02 176.01 3d20 s ILE 147 N 0.41 1.98 -0.22 2.53 -4.36 -0.34 -4.95 121.20 116.24 3d20 s ILE 147 Ca -0.02 -1.82 -0.01 0.00 -0.26 0.00 0.00 60.65 58.54 3d20 s ILE 147 Cb -0.14 -1.86 0.02 0.00 1.25 0.00 0.00 42.46 41.74 3d20 s ILE 147 CO 0.02 -0.14 -0.11 -0.83 0.24 0.00 0.00 174.94 174.12 3d20 s GLY 148 N -2.38 1.55 0.29 6.27 0.00 -1.26 -0.76 107.32 111.03 3d20 s GLY 148 Ca 0.14 -1.37 0.03 0.00 0.00 0.00 0.00 44.72 43.52 3d20 s GLY 148 CO 0.07 0.44 0.28 0.61 0.00 0.00 0.00 173.10 174.49 3d20 n GLY 149 N 4.65 2.60 3.69 0.20 0.00 -0.41 -4.96 105.19 110.96 3d20 n GLY 149 Ca -0.18 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.20 3d20 n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d20 s ILE 150 N -1.26 3.72 0.00 -0.61 1.01 -1.26 -2.47 121.20 120.33 3d20 s ILE 150 Ca 0.21 1.13 0.00 0.00 0.00 0.00 0.00 60.65 62.00 3d20 s ILE 150 Cb -0.02 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.72 3d20 s ILE 150 CO 0.13 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.70 3d20 n GLY 151 N 3.58 3.19 0.00 6.18 0.00 -1.26 -5.02 105.19 111.85 3d20 n GLY 151 Ca 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3d20 n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d20 n GLY 152 N 0.00 0.68 3.81 -0.02 0.00 -1.03 -5.09 105.19 103.54 3d20 n GLY 152 Ca 0.00 -2.18 -0.39 0.00 0.00 0.00 0.00 46.02 43.46 3d20 n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d20 s PHE 153 N -0.84 3.81 0.03 1.61 0.40 -1.26 -1.29 117.98 120.44 3d20 s PHE 153 Ca 0.00 1.28 0.03 0.00 -0.60 0.00 0.00 56.93 57.65 3d20 s PHE 153 Cb 0.00 -2.51 -0.02 0.00 0.51 0.00 0.00 43.02 41.01 3d20 s PHE 153 CO 0.00 0.58 -0.10 0.14 0.70 0.00 0.00 175.22 176.54 3d20 s VAL 154 N -1.13 0.77 0.15 -0.44 -7.23 0.06 -4.96 120.40 107.62 3d20 s VAL 154 Ca 0.30 -0.87 -0.30 0.00 -1.81 0.00 0.00 61.98 59.29 3d20 s VAL 154 Cb -0.19 -0.73 -0.07 0.00 0.56 0.00 0.00 36.38 35.94 3d20 s VAL 154 CO 0.19 -0.11 0.98 -0.54 -0.31 0.00 0.00 175.10 175.31 3d20 s LYS 155 N -1.10 4.72 0.24 4.82 1.02 -1.26 -1.20 119.74 126.98 3d20 s LYS 155 Ca -0.02 1.50 0.02 0.00 0.02 0.00 0.00 55.97 57.48 3d20 s LYS 155 Cb -0.07 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 33.85 3d20 s LYS 155 CO 0.01 0.27 0.06 0.14 -0.92 0.00 0.00 175.35 174.91 3d20 s VAL 156 N -0.34 0.64 -0.23 3.17 -7.23 -0.14 -4.67 120.40 111.59 3d20 s VAL 156 Ca 0.46 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.54 3d20 s VAL 156 Cb -0.25 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 3d20 s VAL 156 CO 0.31 -0.15 0.12 -0.13 -0.31 0.00 0.00 175.10 174.94 3d20 s ARG 157 N -3.99 3.93 -0.29 4.82 0.52 -0.24 -2.68 118.95 121.02 3d20 s ARG 157 Ca 0.34 -0.35 -0.13 0.00 -0.52 0.00 0.00 55.73 55.07 3d20 s ARG 157 Cb 0.07 -3.43 -0.04 0.00 0.52 0.00 0.00 34.95 32.08 3d20 s ARG 157 CO 0.11 0.02 0.27 -1.14 0.02 0.00 0.00 175.30 174.57 3d20 s GLN 158 N 1.13 3.86 -0.19 3.54 0.74 0.14 -0.64 119.66 128.24 3d20 s GLN 158 Ca 0.06 -0.28 -0.04 0.00 0.05 0.00 0.00 55.36 55.15 3d20 s GLN 158 Cb -0.14 -3.70 -0.02 0.00 1.10 0.00 0.00 33.01 30.25 3d20 s GLN 158 CO 0.04 -0.28 -0.03 0.71 -0.55 0.00 0.00 175.29 175.19 3d20 s TYR 159 N 1.87 3.01 0.15 1.67 1.51 -0.39 -1.40 117.35 123.77 3d20 s TYR 159 Ca 0.10 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 3d20 s TYR 159 Cb -0.16 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.61 3d20 s TYR 159 CO 0.11 -0.24 0.32 -0.51 -1.11 0.00 0.00 175.55 174.12 3d20 s ASP 160 N 0.88 6.37 -1.27 2.29 1.01 -1.26 -1.01 116.67 123.68 3d20 s ASP 160 Ca -0.00 0.30 -0.03 0.00 0.71 0.00 0.00 52.55 53.53 3d20 s ASP 160 Cb -0.14 -1.97 0.01 0.00 1.01 0.00 0.00 42.92 41.82 3d20 s ASP 160 CO 0.02 0.04 1.01 0.00 0.21 0.00 0.00 175.17 176.45 3d20 n GLN 161 N -0.40 -6.73 -3.55 8.23 1.13 -1.14 -4.90 117.38 110.01 3d20 n GLN 161 Ca -0.05 0.81 -0.37 0.00 -1.94 0.00 0.00 57.00 55.45 3d20 n GLN 161 Cb 0.53 -5.78 -0.07 0.00 0.11 0.00 0.00 30.24 25.04 3d20 n GLN 161 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3d20 s ILE 162 N -3.38 5.29 -0.07 5.09 -1.09 -0.04 -4.70 121.20 122.29 3d20 s ILE 162 Ca 0.18 0.56 -0.30 0.00 -2.23 0.00 0.00 60.65 58.86 3d20 s ILE 162 Cb -0.08 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 3d20 s ILE 162 CO 0.74 0.42 1.23 -0.63 -1.23 0.00 0.00 174.94 175.47 3d20 s ILE 163 N 0.22 4.22 -0.12 2.92 1.01 -1.26 -1.45 121.20 126.74 3d20 s ILE 163 Ca 0.17 1.54 -0.08 0.00 0.00 0.00 0.00 60.65 62.28 3d20 s ILE 163 Cb -0.13 -3.99 0.04 0.00 0.01 0.00 0.00 42.46 38.39 3d20 s ILE 163 CO 0.05 -0.03 0.29 -0.51 0.00 0.00 0.00 174.94 174.74 3d20 s ILE 164 N 2.50 -0.02 -0.14 2.92 2.07 -0.59 -4.50 121.20 123.43 3d20 s ILE 164 Ca 0.56 0.09 -0.07 0.00 -1.41 0.00 0.00 60.65 59.82 3d20 s ILE 164 Cb -0.25 -0.43 -0.04 0.00 0.13 0.00 0.00 42.46 41.88 3d20 s ILE 164 CO 0.21 0.03 0.09 -0.70 -1.91 0.00 0.00 174.94 172.66 3d20 s GLU 165 N 0.89 3.61 -0.23 3.50 2.12 -0.52 -1.22 118.70 126.85 3d20 s GLU 165 Ca -0.06 -0.25 0.01 0.00 0.36 0.00 0.00 54.97 55.02 3d20 s GLU 165 Cb -0.07 -3.16 0.06 0.00 0.26 0.00 0.00 34.13 31.22 3d20 s GLU 165 CO -0.06 0.56 -0.06 0.42 -0.54 0.00 0.00 175.26 175.58 3d20 s ILE 166 N -0.42 1.52 -1.47 -3.70 1.01 0.82 -1.09 121.20 117.86 3d20 s ILE 166 Ca 0.10 -1.19 -0.14 0.00 0.00 0.00 0.00 60.65 59.42 3d20 s ILE 166 Cb -0.12 -1.78 0.11 0.00 0.01 0.00 0.00 42.46 40.68 3d20 s ILE 166 CO 0.02 -0.08 0.68 0.00 0.00 0.00 0.00 174.94 175.55 3d20 n ALA 167 N 4.68 -1.16 -0.56 9.38 0.00 0.02 -0.86 120.51 132.01 3d20 n ALA 167 Ca -0.12 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3d20 n ALA 167 Cb 0.44 -3.29 0.00 0.00 0.00 0.00 0.00 19.45 16.60 3d20 n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d20 n GLY 168 N -1.32 0.89 3.67 0.00 0.00 -1.26 -5.03 105.19 102.13 3d20 n GLY 168 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3d20 n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3d20 s HIS 169 N -3.16 3.29 0.09 1.61 4.02 -0.04 -5.08 115.29 116.03 3d20 s HIS 169 Ca 0.00 0.15 -0.28 0.00 1.02 0.00 0.00 55.06 55.95 3d20 s HIS 169 Cb 0.00 -2.06 -0.06 0.00 -1.02 0.00 0.00 32.58 29.44 3d20 s HIS 169 CO 0.00 0.24 0.87 0.21 1.02 0.00 0.00 174.74 177.08 3d20 s LYS 170 N 0.19 4.61 0.07 1.40 2.20 -1.26 -0.13 119.74 126.82 3d20 s LYS 170 Ca 0.05 1.28 0.02 0.00 -0.36 0.00 0.00 55.97 56.95 3d20 s LYS 170 Cb -0.12 -3.36 -0.03 0.00 -1.51 0.00 0.00 37.83 32.80 3d20 s LYS 170 CO 0.00 0.27 -0.07 0.00 -0.36 0.00 0.00 175.35 175.20 3d20 s ALA 171 N -0.13 0.75 -0.16 3.13 0.00 -0.36 -4.81 121.76 120.18 3d20 s ALA 171 Ca 0.43 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 3d20 s ALA 171 Cb -0.22 0.12 0.06 0.00 0.00 0.00 0.00 23.12 23.08 3d20 s ALA 171 CO 0.27 -0.16 0.09 0.42 0.00 0.00 0.00 175.76 176.38 3d20 s ILE 172 N -2.72 -0.11 0.00 0.00 1.01 -1.26 -1.55 121.20 116.58 3d20 s ILE 172 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.58 3d20 s ILE 172 Cb -0.01 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.93 3d20 s ILE 172 CO -0.03 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.29 3d20 n GLY 173 N 5.28 1.44 3.73 6.18 0.00 -0.53 -4.78 105.19 116.51 3d20 n GLY 173 Ca -0.06 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 3d20 n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d20 s THR 174 N -2.38 4.49 -0.10 2.61 2.01 -1.26 -0.86 115.64 120.14 3d20 s THR 174 Ca 0.00 2.07 0.02 0.00 0.31 0.00 0.00 61.69 64.09 3d20 s THR 174 Cb 0.00 -4.32 0.01 0.00 0.01 0.00 0.00 72.50 68.20 3d20 s THR 174 CO 0.00 0.32 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.40 3d20 s VAL 175 N -0.02 1.55 -0.05 3.82 1.01 -0.18 -4.55 120.40 121.98 3d20 s VAL 175 Ca 0.47 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 3d20 s VAL 175 Cb -0.23 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 3d20 s VAL 175 CO 0.30 0.45 0.38 -0.76 0.00 0.00 0.00 175.10 175.47 3d20 s LEU 176 N 0.83 4.41 -0.15 3.92 1.43 -0.28 -1.26 118.68 127.59 3d20 s LEU 176 Ca -0.10 0.83 -0.00 0.00 -1.03 0.00 0.00 54.13 53.84 3d20 s LEU 176 Cb -0.16 -2.53 -0.01 0.00 0.03 0.00 0.00 46.19 43.53 3d20 s LEU 176 CO 0.01 0.25 -0.14 -0.69 0.23 0.00 0.00 176.35 176.01 3d20 s VAL 177 N -0.59 2.90 -0.30 -1.59 1.01 0.19 -0.45 120.40 121.56 3d20 s VAL 177 Ca 0.22 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3d20 s VAL 177 Cb -0.16 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.00 3d20 s VAL 177 CO 0.11 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.33 3d20 n GLY 178 N 3.83 -1.23 3.38 4.51 0.00 -0.68 -1.08 105.19 113.93 3d20 n GLY 178 Ca -0.19 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 3d20 n GLY 178 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3d20 n PRO 179 N -0.02 2.54 -3.98 1.61 -0.04 -1.26 -4.17 135.00 129.68 3d20 n PRO 179 Ca 0.00 -2.80 -0.32 0.00 -0.04 0.00 0.00 63.50 60.34 3d20 n PRO 179 Cb 0.00 -3.46 -0.05 0.00 -0.04 0.00 0.00 33.50 29.95 3d20 n PRO 179 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3d20 s THR 180 N 5.90 5.10 0.26 0.52 -1.32 -1.26 -4.99 115.64 119.85 3d20 s THR 180 Ca 0.57 -0.40 0.30 0.00 -1.21 0.00 0.00 61.69 60.94 3d20 s THR 180 Cb 0.06 -3.42 0.31 0.00 -1.51 0.00 0.00 72.50 67.94 3d20 s THR 180 CO 0.07 0.23 2.00 -0.65 -2.21 0.00 0.00 174.62 174.06 3d20 h PRO 181 N 3.53 0.00 -3.26 7.08 0.11 -1.98 -3.45 132.00 134.03 3d20 h PRO 181 Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 3d20 h PRO 181 Cb 1.17 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.14 3d20 h PRO 181 CO 0.69 0.11 -0.10 0.14 -0.21 0.00 0.00 178.00 178.64 3d20 s VAL 182 N -3.87 0.07 0.14 3.15 -7.23 -1.26 -5.12 120.40 106.28 3d20 s VAL 182 Ca -0.01 -0.55 -0.31 0.00 -1.81 0.00 0.00 61.98 59.30 3d20 s VAL 182 Cb 0.11 -1.09 -0.08 0.00 0.56 0.00 0.00 36.38 35.88 3d20 s VAL 182 CO 0.57 -0.31 1.36 0.20 -0.31 0.00 0.00 175.10 176.62 3d20 s ASN 183 N -2.48 6.85 -0.09 4.85 0.01 -1.26 -4.77 114.94 118.05 3d20 s ASN 183 Ca -0.00 2.34 0.03 0.00 -0.71 0.00 0.00 52.86 54.51 3d20 s ASN 183 Cb 0.01 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.08 3d20 s ASN 183 CO -0.08 -0.61 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.10 3d20 s ILE 184 N 0.79 1.55 -0.39 0.60 1.01 0.11 -0.61 121.20 124.27 3d20 s ILE 184 Ca 0.62 -0.71 -0.17 0.00 0.00 0.00 0.00 60.65 60.39 3d20 s ILE 184 Cb -0.36 -1.38 0.01 0.00 0.01 0.00 0.00 42.46 40.73 3d20 s ILE 184 CO 0.33 0.45 0.44 -0.63 0.00 0.00 0.00 174.94 175.52 3d20 s ILE 185 N 0.62 5.09 0.29 2.92 -1.09 0.18 -1.29 121.20 127.91 3d20 s ILE 185 Ca -0.14 -0.09 0.04 0.00 -2.23 0.00 0.00 60.65 58.22 3d20 s ILE 185 Cb -0.16 -3.97 0.05 0.00 -1.58 0.00 0.00 42.46 36.80 3d20 s ILE 185 CO 0.04 -0.30 0.39 0.61 -1.23 0.00 0.00 174.94 174.46 3d20 n GLY 186 N 5.01 1.71 0.23 6.18 0.00 -1.24 -1.13 105.19 115.95 3d20 n GLY 186 Ca -0.07 -2.14 0.06 0.00 0.00 0.00 0.00 46.02 43.87 3d20 n GLY 186 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3d20 h ARG 187 N 0.00 0.00 -0.89 1.61 3.08 -0.79 -0.60 114.38 116.79 3d20 h ARG 187 Ca -0.13 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.03 3d20 h ARG 187 Cb 0.58 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.57 3d20 h ARG 187 CO 0.18 0.13 0.58 -2.95 -1.07 0.00 0.00 179.97 176.84 3d20 h ASN 188 N 0.00 0.76 0.20 7.04 -0.00 -1.74 -1.34 115.58 120.51 3d20 h ASN 188 Ca -0.00 0.03 -0.27 0.00 -0.00 0.00 0.00 56.30 56.06 3d20 h ASN 188 Cb 0.24 -0.13 -0.05 0.00 -0.00 0.00 0.00 38.32 38.38 3d20 h ASN 188 CO 0.02 0.43 -2.06 0.18 -0.00 0.00 0.00 177.43 176.00 3d20 n LEU 189 N -4.54 0.29 -0.14 6.14 4.77 -0.78 -4.03 117.00 118.71 3d20 n LEU 189 Ca 0.16 0.13 0.01 0.00 -0.03 0.00 0.00 56.01 56.28 3d20 n LEU 189 Cb 0.35 0.30 0.29 0.00 -2.33 0.00 0.00 43.42 42.03 3d20 n LEU 189 CO 0.30 0.35 1.17 -0.07 -1.33 0.00 0.00 177.39 177.81 3d20 h LEU 190 N 0.00 0.73 -1.00 2.23 3.38 -0.89 -1.77 115.31 118.00 3d20 h LEU 190 Ca -0.36 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.50 3d20 h LEU 190 Cb 1.92 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.46 3d20 h LEU 190 CO 0.04 0.57 -0.00 0.71 0.09 0.00 0.00 178.44 179.84 3d20 h THR 191 N 0.84 1.23 -0.11 0.22 1.35 -1.42 -1.10 112.91 113.92 3d20 h THR 191 Ca 0.22 -0.95 -0.05 0.00 -0.55 0.00 0.00 66.41 65.08 3d20 h THR 191 Cb -0.02 0.90 -0.01 0.00 -1.73 0.00 0.00 68.15 67.29 3d20 h THR 191 CO -0.04 0.33 -0.15 1.56 -0.25 0.00 0.00 175.52 176.98 3d20 h GLN 192 N 0.68 0.17 -0.11 4.72 4.20 -1.47 -2.25 115.11 121.05 3d20 h GLN 192 Ca 0.14 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3d20 h GLN 192 Cb 0.42 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3d20 h GLN 192 CO 0.02 0.33 0.00 0.44 -0.67 0.00 0.00 178.83 178.95 3d20 n ILE 193 N -4.28 0.13 -1.14 2.54 -5.35 -1.01 -4.93 119.36 105.31 3d20 n ILE 193 Ca -0.01 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 3d20 n ILE 193 Cb 0.27 0.75 0.00 0.00 -1.74 0.00 0.00 39.64 38.92 3d20 n ILE 193 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3d20 n GLY 194 N 1.25 0.58 3.76 3.28 0.00 -0.85 -5.02 105.19 108.19 3d20 n GLY 194 Ca 0.17 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 3d20 n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d20 s ALA 195 N -2.00 3.30 0.11 4.61 0.00 -0.45 -5.02 121.76 122.31 3d20 s ALA 195 Ca 0.00 0.66 0.04 0.00 0.00 0.00 0.00 51.96 52.66 3d20 s ALA 195 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 3d20 s ALA 195 CO 0.00 0.09 -0.10 0.95 0.00 0.00 0.00 175.76 176.69 3d20 s THR 196 N -1.33 1.02 -0.11 0.00 -4.23 -1.26 -4.69 115.64 105.04 3d20 s THR 196 Ca 0.46 -1.75 -0.09 0.00 -1.18 0.00 0.00 61.69 59.13 3d20 s THR 196 Cb -0.25 -1.49 -0.04 0.00 1.34 0.00 0.00 72.50 72.05 3d20 s THR 196 CO 0.31 -0.59 0.20 -0.76 -0.54 0.00 0.00 174.62 173.24 3d20 s LEU 197 N -2.62 4.38 -0.03 4.79 1.43 -1.26 -5.10 118.68 120.28 3d20 s LEU 197 Ca 0.08 0.54 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 3d20 s LEU 197 Cb -0.02 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 44.02 3d20 s LEU 197 CO 0.00 0.35 -0.08 0.20 0.23 0.00 0.00 176.35 177.05 3d20 s ASN 198 N -0.80 1.14 0.00 2.29 0.01 -1.26 -5.29 114.94 111.03 3d20 s ASN 198 Ca 0.16 -0.18 0.00 0.00 -0.71 0.00 0.00 52.86 52.14 3d20 s ASN 198 Cb -0.13 -0.32 0.00 0.00 0.41 0.00 0.00 41.25 41.21 3d20 s ASN 198 CO 0.05 0.05 0.00 2.22 -1.51 0.00 0.00 177.10 177.91