#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ip9 s ALA 2 N 0.00 -1.92 -0.04 4.61 0.00 -1.26 -5.16 121.76 117.99 1ip9 s ALA 2 Ca 0.00 1.46 0.02 0.00 0.00 0.00 0.00 51.96 53.43 1ip9 s ALA 2 Cb 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.72 1ip9 s ALA 2 CO 0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 175.76 175.28 1ip9 s MET 3 N -1.64 1.01 0.74 0.00 0.00 -1.26 -5.14 119.30 113.02 1ip9 s MET 3 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 55.69 55.37 1ip9 s MET 3 Cb -0.01 -0.94 0.04 0.00 0.00 0.00 0.00 34.83 33.92 1ip9 s MET 3 CO -0.01 -0.01 1.09 0.20 0.00 0.00 0.00 175.02 176.29 1ip9 s GLY 4 N 0.68 1.79 -0.35 3.16 0.00 -1.26 -4.99 107.32 106.35 1ip9 s GLY 4 Ca -0.10 0.31 0.07 0.00 0.00 0.00 0.00 44.72 45.00 1ip9 s GLY 4 CO 0.01 0.66 1.27 1.44 0.00 0.00 0.00 173.10 176.48 1ip9 n SER 5 N -3.22 -1.54 -4.69 1.64 7.64 -1.26 -5.15 113.62 107.04 1ip9 n SER 5 Ca 0.09 -2.14 -0.29 0.00 1.01 0.00 0.00 58.87 57.54 1ip9 n SER 5 Cb 0.53 0.90 0.17 0.00 -1.01 0.00 0.00 64.21 64.80 1ip9 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ip9 s SER 6 N -0.88 2.83 0.15 6.43 0.15 -1.26 -4.82 113.70 116.31 1ip9 s SER 6 Ca 0.14 1.23 0.00 0.00 0.70 0.00 0.00 55.95 58.02 1ip9 s SER 6 Cb 0.30 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.72 1ip9 s SER 6 CO -0.07 -3.01 0.00 0.41 1.20 0.00 0.00 173.24 171.77 1ip9 n THR 7 N -4.10 -4.11 -3.42 6.45 -1.04 -1.26 -5.07 114.28 101.74 1ip9 n THR 7 Ca 0.06 1.28 0.01 0.00 -2.04 0.00 0.00 64.05 63.36 1ip9 n THR 7 Cb 0.57 -2.46 -0.03 0.00 -1.82 0.00 0.00 70.33 66.59 1ip9 n THR 7 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1ip9 s SER 8 N -1.17 -0.99 -0.32 8.00 0.15 -1.26 -5.03 113.70 113.07 1ip9 s SER 8 Ca 0.00 1.08 0.07 0.00 0.70 0.00 0.00 55.95 57.80 1ip9 s SER 8 Cb 0.00 2.02 0.47 0.00 -1.71 0.00 0.00 66.02 66.80 1ip9 s SER 8 CO 0.00 -0.19 1.41 0.61 1.20 0.00 0.00 173.24 176.27 1ip9 n GLY 9 N 5.33 5.55 2.48 9.45 0.00 -1.26 -4.77 105.19 121.97 1ip9 n GLY 9 Ca -0.08 -1.84 -0.25 0.00 0.00 0.00 0.00 46.02 43.85 1ip9 n GLY 9 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ip9 n LEU 10 N -0.97 2.72 -4.21 0.99 -0.00 -1.26 -5.05 117.00 109.22 1ip9 n LEU 10 Ca 0.38 -5.28 -0.34 0.00 -0.00 0.00 0.00 56.01 50.77 1ip9 n LEU 10 Cb 0.92 -0.13 -0.15 0.00 -0.00 0.00 0.00 43.42 44.07 1ip9 n LEU 10 CO 0.30 2.18 -0.45 -0.75 -0.00 0.00 0.00 177.39 178.67 1ip9 s LYS 11 N -2.48 3.10 -0.19 1.96 2.47 -1.26 -5.09 119.74 118.25 1ip9 s LYS 11 Ca 0.41 -0.78 -0.06 0.00 -1.56 0.00 0.00 55.97 53.98 1ip9 s LYS 11 Cb 0.22 -2.82 -0.03 0.00 -1.46 0.00 0.00 37.83 33.74 1ip9 s LYS 11 CO -0.08 -0.25 0.02 0.95 0.16 0.00 0.00 175.35 176.16 1ip9 s THR 12 N 1.37 4.33 0.17 3.43 -4.23 -1.26 -4.55 115.64 114.90 1ip9 s THR 12 Ca 0.04 -0.19 -0.30 0.00 -1.18 0.00 0.00 61.69 60.06 1ip9 s THR 12 Cb -0.14 -2.95 -0.07 0.00 1.34 0.00 0.00 72.50 70.68 1ip9 s THR 12 CO -0.08 0.45 0.99 -0.89 -0.54 0.00 0.00 174.62 174.56 1ip9 s THR 13 N 0.63 4.19 -0.46 3.99 2.01 -0.58 -4.74 115.64 120.67 1ip9 s THR 13 Ca 0.01 1.95 -0.17 0.00 0.31 0.00 0.00 61.69 63.78 1ip9 s THR 13 Cb -0.14 -4.24 0.05 0.00 0.01 0.00 0.00 72.50 68.18 1ip9 s THR 13 CO 0.02 0.36 0.49 -0.75 -0.69 0.00 0.00 174.62 174.05 1ip9 s LYS 14 N -0.49 3.07 -0.16 4.92 2.20 -1.26 -2.30 119.74 125.72 1ip9 s LYS 14 Ca 0.46 -0.98 0.00 0.00 -0.36 0.00 0.00 55.97 55.09 1ip9 s LYS 14 Cb -0.26 -4.06 -0.00 0.00 -1.51 0.00 0.00 37.83 32.00 1ip9 s LYS 14 CO 0.32 -1.03 -0.15 0.42 -0.36 0.00 0.00 175.35 174.56 1ip9 s ILE 15 N 2.15 2.66 -0.26 5.43 1.01 -0.90 -4.78 121.20 126.51 1ip9 s ILE 15 Ca 0.11 -0.77 -0.10 0.00 0.00 0.00 0.00 60.65 59.89 1ip9 s ILE 15 Cb -0.20 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 1ip9 s ILE 15 CO 0.11 0.51 0.15 -0.54 0.00 0.00 0.00 174.94 175.17 1ip9 s LYS 16 N 0.87 3.93 0.57 2.79 -0.14 -1.26 -0.66 119.74 125.85 1ip9 s LYS 16 Ca -0.04 -0.34 -0.06 0.00 -1.36 0.00 0.00 55.97 54.17 1ip9 s LYS 16 Cb -0.15 -3.54 -0.01 0.00 -1.68 0.00 0.00 37.83 32.45 1ip9 s LYS 16 CO -0.01 -0.09 0.89 -0.06 -0.76 0.00 0.00 175.35 175.33 1ip9 s PHE 17 N 1.46 3.37 -0.55 3.18 0.40 0.11 -0.20 117.98 125.74 1ip9 s PHE 17 Ca 0.07 0.76 0.06 0.00 -0.60 0.00 0.00 56.93 57.22 1ip9 s PHE 17 Cb -0.15 -2.65 0.21 0.00 0.51 0.00 0.00 43.02 40.95 1ip9 s PHE 17 CO 0.07 -0.70 0.55 0.66 0.70 0.00 0.00 175.22 176.50 1ip9 n TYR 18 N -2.54 1.65 -2.43 0.36 4.02 0.41 -2.45 117.16 116.18 1ip9 n TYR 18 Ca 0.04 -3.88 -0.43 0.00 -0.01 0.00 0.00 57.90 53.62 1ip9 n TYR 18 Cb 0.57 -0.36 -0.02 0.00 -0.02 0.00 0.00 39.34 39.51 1ip9 n TYR 18 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1ip9 s TYR 19 N -1.40 2.50 0.00 -0.72 5.04 -0.84 -1.29 117.35 120.64 1ip9 s TYR 19 Ca 0.34 0.65 0.00 0.00 -2.44 0.00 0.00 57.07 55.62 1ip9 s TYR 19 Cb 0.08 -4.37 0.00 0.00 0.35 0.00 0.00 41.96 38.03 1ip9 s TYR 19 CO -0.11 -1.78 0.00 1.63 -1.34 0.00 0.00 175.55 173.95 1ip9 n LYS 20 N 8.10 0.00 0.00 4.97 5.02 -1.02 -1.23 118.16 134.00 1ip9 n LYS 20 Ca 0.15 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.56 1ip9 n LYS 20 Cb 0.48 0.00 0.39 0.00 -0.02 0.00 0.00 35.03 35.88 1ip9 n LYS 20 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ip9 n ASP 21 N 2.17 0.62 -4.93 4.39 8.00 -1.26 -4.87 116.55 120.68 1ip9 n ASP 21 Ca 0.00 -0.45 -0.25 0.00 0.71 0.00 0.00 54.79 54.80 1ip9 n ASP 21 Cb 0.00 0.09 0.02 0.00 -0.02 0.00 0.00 41.12 41.21 1ip9 n ASP 21 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ip9 s ASP 22 N -2.75 5.79 -0.02 -2.24 2.15 -0.36 -5.10 116.67 114.15 1ip9 s ASP 22 Ca 0.19 0.57 -0.11 0.00 0.43 0.00 0.00 52.55 53.63 1ip9 s ASP 22 Cb 0.19 -1.72 0.01 0.00 -0.30 0.00 0.00 42.92 41.10 1ip9 s ASP 22 CO 0.59 -0.84 0.24 -0.63 -0.17 0.00 0.00 175.17 174.35 1ip9 s ILE 23 N -2.78 0.06 0.00 4.11 1.01 -1.26 -1.99 121.20 120.36 1ip9 s ILE 23 Ca 0.51 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.64 1ip9 s ILE 23 Cb -0.10 -0.52 0.00 0.00 0.01 0.00 0.00 42.46 41.85 1ip9 s ILE 23 CO 0.42 -0.28 0.00 2.22 0.00 0.00 0.00 174.94 177.30 1ip9 n PHE 24 N 1.51 0.00 -3.81 3.97 -1.74 -1.02 -4.94 117.46 111.42 1ip9 n PHE 24 Ca -0.21 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.59 1ip9 n PHE 24 Cb 0.56 0.00 0.02 0.00 1.52 0.00 0.00 39.48 41.58 1ip9 n PHE 24 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1ip9 s ALA 25 N -1.98 -0.81 -0.19 1.98 0.00 -1.26 -0.71 121.76 118.80 1ip9 s ALA 25 Ca 0.00 -0.71 -0.16 0.00 0.00 0.00 0.00 51.96 51.09 1ip9 s ALA 25 Cb 0.00 0.68 0.05 0.00 0.00 0.00 0.00 23.12 23.86 1ip9 s ALA 25 CO 0.00 -0.99 0.49 -1.17 0.00 0.00 0.00 175.76 174.09 1ip9 s LEU 26 N -3.08 0.02 -0.41 0.00 2.96 0.17 -4.89 118.68 113.46 1ip9 s LEU 26 Ca 0.16 1.01 -0.12 0.00 -0.22 0.00 0.00 54.13 54.96 1ip9 s LEU 26 Cb -0.05 1.69 0.05 0.00 0.50 0.00 0.00 46.19 48.38 1ip9 s LEU 26 CO 0.11 -0.18 0.27 -0.04 -1.32 0.00 0.00 176.35 175.19 1ip9 s MET 27 N 0.49 2.79 0.04 1.98 -1.94 -1.25 -2.12 119.30 119.29 1ip9 s MET 27 Ca -0.02 -1.25 -0.20 0.00 -1.71 0.00 0.00 55.69 52.52 1ip9 s MET 27 Cb -0.04 -3.84 -0.06 0.00 2.01 0.00 0.00 34.83 32.90 1ip9 s MET 27 CO -0.02 -0.85 0.57 -0.51 -0.01 0.00 0.00 175.02 174.20 1ip9 s LEU 28 N 1.54 4.48 0.00 -0.03 2.01 -0.97 -4.76 118.68 120.94 1ip9 s LEU 28 Ca 0.03 1.20 0.24 0.00 0.01 0.00 0.00 54.13 55.61 1ip9 s LEU 28 Cb -0.21 -2.89 0.31 0.00 0.01 0.00 0.00 46.19 43.41 1ip9 s LEU 28 CO 0.05 0.20 1.28 0.29 1.01 0.00 0.00 176.35 179.19 1ip9 n LYS 29 N 2.16 0.44 0.00 1.70 5.02 -1.26 -1.52 118.16 124.69 1ip9 n LYS 29 Ca -0.09 -0.31 0.00 0.00 -2.02 0.00 0.00 58.31 55.89 1ip9 n LYS 29 Cb 0.51 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1ip9 n LYS 29 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ip9 n GLY 30 N 1.44 2.15 0.01 0.72 0.00 -1.26 -4.87 105.19 103.39 1ip9 n GLY 30 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 1ip9 n GLY 30 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ip9 n ASP 31 N 0.00 0.38 -4.26 1.61 5.75 -1.26 -4.98 116.55 113.79 1ip9 n ASP 31 Ca 0.00 -0.31 -0.37 0.00 -0.01 0.00 0.00 54.79 54.10 1ip9 n ASP 31 Cb 0.00 1.54 0.04 0.00 -1.03 0.00 0.00 41.12 41.67 1ip9 n ASP 31 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1ip9 n THR 32 N -2.02 0.60 -4.24 2.12 -1.04 -1.26 -4.99 114.28 103.45 1ip9 n THR 32 Ca -0.01 -0.46 -0.12 0.00 -2.04 0.00 0.00 64.05 61.43 1ip9 n THR 32 Cb 0.48 -0.27 -0.03 0.00 -1.82 0.00 0.00 70.33 68.70 1ip9 n THR 32 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1ip9 n THR 33 N -2.12 0.00 0.06 12.58 -2.24 -1.26 -4.74 114.28 116.56 1ip9 n THR 33 Ca 0.06 -1.08 -0.18 0.00 -2.27 0.00 0.00 64.05 60.58 1ip9 n THR 33 Cb 0.51 0.36 -0.14 0.00 -2.10 0.00 0.00 70.33 68.96 1ip9 n THR 33 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1ip9 h TYR 34 N 1.28 0.51 0.00 4.78 3.20 -1.82 -1.73 116.97 123.19 1ip9 h TYR 34 Ca -0.15 -0.37 -0.02 0.00 3.14 0.00 0.00 58.73 61.33 1ip9 h TYR 34 Cb 0.55 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 1ip9 h TYR 34 CO 0.00 1.44 -0.09 0.87 -1.64 0.00 0.00 178.16 178.74 1ip9 h LYS 35 N 0.08 0.00 0.02 1.82 1.57 -1.95 0.95 116.57 119.05 1ip9 h LYS 35 Ca -0.27 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.48 1ip9 h LYS 35 Cb 2.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.35 1ip9 h LYS 35 CO 0.17 0.09 -0.13 0.93 -0.57 0.00 0.00 179.45 179.93 1ip9 h GLU 36 N 0.00 0.06 0.00 3.15 3.07 -1.95 -2.10 114.58 116.80 1ip9 h GLU 36 Ca -0.00 -0.09 -0.03 0.00 -0.50 0.00 0.00 59.36 58.74 1ip9 h GLU 36 Cb 0.83 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1ip9 h GLU 36 CO 0.01 0.98 -0.15 1.25 -1.40 0.00 0.00 179.01 179.70 1ip9 h LEU 37 N -0.82 0.00 -0.09 1.33 7.12 -1.23 -0.12 115.31 121.50 1ip9 h LEU 37 Ca -0.02 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.94 1ip9 h LEU 37 Cb 1.04 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.17 1ip9 h LEU 37 CO 0.03 0.15 -0.14 0.03 -0.13 0.00 0.00 178.44 178.37 1ip9 h ARG 38 N 0.00 0.26 0.00 1.25 3.08 -0.78 -1.81 114.38 116.38 1ip9 h ARG 38 Ca -0.00 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 1ip9 h ARG 38 Cb 0.33 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1ip9 h ARG 38 CO 0.02 0.73 -0.14 1.03 -1.07 0.00 0.00 179.97 180.54 1ip9 h SER 39 N -0.19 0.00 0.45 7.04 0.87 -0.95 -1.30 113.55 119.47 1ip9 h SER 39 Ca 0.01 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.32 1ip9 h SER 39 Cb 0.71 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1ip9 h SER 39 CO 0.03 0.14 -1.09 0.11 -0.53 0.00 0.00 176.83 175.49 1ip9 h LYS 40 N 0.00 0.36 0.17 2.24 1.57 -0.96 -3.33 116.57 116.62 1ip9 h LYS 40 Ca -0.00 -0.47 -0.33 0.00 -1.87 0.00 0.00 60.65 57.98 1ip9 h LYS 40 Cb 0.86 0.16 0.01 0.00 0.08 0.00 0.00 32.23 33.33 1ip9 h LYS 40 CO 0.02 1.17 -1.58 0.82 -0.57 0.00 0.00 179.45 179.30 1ip9 h ILE 41 N 0.16 1.12 -0.92 1.86 2.04 -1.25 -3.30 117.51 117.23 1ip9 h ILE 41 Ca -0.11 -2.69 0.18 0.00 1.00 0.00 0.00 64.86 63.24 1ip9 h ILE 41 Cb 1.76 2.83 -0.17 0.00 -0.74 0.00 0.00 36.82 40.51 1ip9 h ILE 41 CO 0.19 0.84 -0.24 0.00 0.00 0.00 0.00 178.15 178.93 1ip9 h ALA 42 N 0.29 0.56 -0.03 1.87 0.00 -1.34 0.78 119.26 121.39 1ip9 h ALA 42 Ca -0.28 0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1ip9 h ALA 42 Cb 2.08 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 20.58 1ip9 h ALA 42 CO 0.20 -0.41 -0.62 -1.00 0.00 0.00 0.00 179.25 177.41 1ip9 h PRO 43 N -0.00 0.10 -0.00 0.00 0.13 -1.72 -1.43 132.00 129.08 1ip9 h PRO 43 Ca 0.43 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.49 1ip9 h PRO 43 Cb 0.66 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1ip9 h PRO 43 CO -0.94 0.69 -0.01 0.54 -0.23 0.00 0.00 178.00 178.05 1ip9 n ARG 44 N -3.83 0.46 -0.10 0.86 1.74 0.21 -3.41 116.66 112.60 1ip9 n ARG 44 Ca -0.02 -0.01 -0.12 0.00 -0.77 0.00 0.00 57.85 56.94 1ip9 n ARG 44 Cb 0.62 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.44 1ip9 n ARG 44 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1ip9 n ILE 45 N -1.26 1.25 -0.40 0.55 5.41 0.21 -4.98 119.36 120.13 1ip9 n ILE 45 Ca 0.15 -0.65 0.00 0.00 1.00 0.00 0.00 62.75 63.24 1ip9 n ILE 45 Cb 0.24 -0.84 0.00 0.00 -0.71 0.00 0.00 39.64 38.33 1ip9 n ILE 45 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1ip9 n ASP 46 N -2.86 -1.10 -3.46 4.38 8.00 -0.59 -5.04 116.55 115.90 1ip9 n ASP 46 Ca -0.33 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.00 1ip9 n ASP 46 Cb 1.02 -0.18 -0.07 0.00 -0.02 0.00 0.00 41.12 41.86 1ip9 n ASP 46 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1ip9 s THR 47 N -2.08 0.00 -0.53 -3.53 -1.32 -1.11 -5.05 115.64 102.04 1ip9 s THR 47 Ca 0.00 -1.89 0.05 0.00 -1.21 0.00 0.00 61.69 58.64 1ip9 s THR 47 Cb 0.00 -2.53 0.01 0.00 -1.51 0.00 0.00 72.50 68.47 1ip9 s THR 47 CO 0.00 0.00 0.50 -0.90 -2.21 0.00 0.00 174.62 172.01 1ip9 n ASP 48 N -1.32 1.01 -3.84 8.08 5.68 -1.26 -4.42 116.55 120.48 1ip9 n ASP 48 Ca 0.05 -1.00 -0.30 0.00 -0.50 0.00 0.00 54.79 53.04 1ip9 n ASP 48 Cb 0.63 0.37 -0.15 0.00 -1.14 0.00 0.00 41.12 40.82 1ip9 n ASP 48 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1ip9 s ASN 49 N -0.83 3.88 0.03 -1.12 0.02 -1.26 -5.01 114.94 110.65 1ip9 s ASN 49 Ca 0.05 -1.41 0.01 0.00 -1.02 0.00 0.00 52.86 50.48 1ip9 s ASN 49 Cb 0.04 -1.03 -0.02 0.00 0.02 0.00 0.00 41.25 40.26 1ip9 s ASN 49 CO 0.12 -0.33 -0.05 0.72 0.02 0.00 0.00 177.10 177.58 1ip9 s PHE 50 N 1.48 0.41 -0.28 2.20 -0.71 -1.26 -1.23 117.98 118.59 1ip9 s PHE 50 Ca 0.03 -0.55 -0.14 0.00 -1.04 0.00 0.00 56.93 55.23 1ip9 s PHE 50 Cb -0.18 -0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 41.32 1ip9 s PHE 50 CO -0.13 -0.16 0.32 0.15 -1.34 0.00 0.00 175.22 174.06 1ip9 s LYS 51 N -1.63 3.97 -0.23 1.99 1.02 -0.34 -4.79 119.74 119.72 1ip9 s LYS 51 Ca -0.13 -0.08 -0.08 0.00 0.02 0.00 0.00 55.97 55.69 1ip9 s LYS 51 Cb -0.09 -3.67 -0.04 0.00 -0.52 0.00 0.00 37.83 33.51 1ip9 s LYS 51 CO -0.01 -0.27 0.10 -0.51 -0.92 0.00 0.00 175.35 173.74 1ip9 s LEU 52 N 1.98 3.74 0.33 3.17 1.43 -1.25 -1.08 118.68 126.99 1ip9 s LEU 52 Ca 0.13 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.22 1ip9 s LEU 52 Cb -0.16 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1ip9 s LEU 52 CO 0.10 0.04 0.14 -1.10 0.23 0.00 0.00 176.35 175.77 1ip9 s GLN 53 N 1.17 1.66 -1.16 1.70 1.11 -0.70 -1.18 119.66 122.27 1ip9 s GLN 53 Ca 0.05 -1.96 -0.18 0.00 0.01 0.00 0.00 55.36 53.28 1ip9 s GLN 53 Cb -0.14 -0.28 0.10 0.00 -1.01 0.00 0.00 33.01 31.67 1ip9 s GLN 53 CO 0.04 -0.43 1.52 0.95 0.01 0.00 0.00 175.29 177.38 1ip9 s THR 54 N -3.50 4.37 -0.65 -0.19 -4.23 -0.91 -0.90 115.64 109.63 1ip9 s THR 54 Ca 0.33 -1.77 -0.12 0.00 -1.18 0.00 0.00 61.69 58.95 1ip9 s THR 54 Cb 0.05 -5.04 -0.19 0.00 1.34 0.00 0.00 72.50 68.66 1ip9 s THR 54 CO 0.17 -1.84 1.56 1.17 -0.54 0.00 0.00 174.62 175.13 1ip9 n LYS 55 N 7.62 0.00 0.00 3.99 0.00 0.91 -1.36 118.16 129.32 1ip9 n LYS 55 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.70 1ip9 n LYS 55 Cb 0.47 -0.80 0.00 0.00 0.00 0.00 0.00 35.03 34.70 1ip9 n LYS 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ip9 n LEU 56 N 5.03 0.00 -0.01 3.14 4.77 -1.26 -4.41 117.00 124.26 1ip9 n LEU 56 Ca 0.44 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.52 1ip9 n LEU 56 Cb 0.06 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.01 1ip9 n LEU 56 CO 0.67 0.00 -0.44 0.49 -1.33 0.00 0.00 177.39 176.78 1ip9 n PHE 57 N 0.00 0.00 -0.05 -1.77 3.72 -1.26 -4.42 117.46 113.68 1ip9 n PHE 57 Ca 0.00 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.18 1ip9 n PHE 57 Cb 0.00 -0.27 -0.13 0.00 -0.94 0.00 0.00 39.48 38.14 1ip9 n PHE 57 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1ip9 n ASP 58 N -1.91 2.03 0.00 4.37 5.68 -1.26 -4.99 116.55 120.47 1ip9 n ASP 58 Ca -0.00 0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.49 1ip9 n ASP 58 Cb 0.45 -0.80 0.00 0.00 -1.14 0.00 0.00 41.12 39.63 1ip9 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ip9 n GLY 59 N 1.87 -1.33 1.65 6.12 0.00 -1.26 -5.13 105.19 107.10 1ip9 n GLY 59 Ca -0.36 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1ip9 n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ip9 n SER 60 N 0.00 -8.28 0.00 1.61 3.41 -1.26 -4.80 113.62 104.29 1ip9 n SER 60 Ca 0.00 1.32 0.00 0.00 -0.26 0.00 0.00 58.87 59.93 1ip9 n SER 60 Cb 0.00 -4.96 0.00 0.00 -0.26 0.00 0.00 64.21 58.99 1ip9 n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ip9 n GLY 61 N -1.20 3.66 3.28 5.00 0.00 -0.46 -4.53 105.19 110.94 1ip9 n GLY 61 Ca 0.00 -0.72 -0.58 0.00 0.00 0.00 0.00 46.02 44.72 1ip9 n GLY 61 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ip9 n GLU 62 N 0.00 0.14 -1.88 1.61 1.02 -1.26 -3.92 120.64 116.35 1ip9 n GLU 62 Ca 0.00 0.04 -0.24 0.00 -0.02 0.00 0.00 57.16 56.94 1ip9 n GLU 62 Cb 0.00 -1.63 -0.05 0.00 -0.02 0.00 0.00 31.44 29.74 1ip9 n GLU 62 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1ip9 s GLU 63 N 6.12 2.24 -0.13 3.49 2.12 -1.26 -2.15 118.70 129.14 1ip9 s GLU 63 Ca 1.19 0.10 -0.41 0.00 0.36 0.00 0.00 54.97 56.21 1ip9 s GLU 63 Cb -1.41 -4.90 -0.18 0.00 0.26 0.00 0.00 34.13 27.90 1ip9 s GLU 63 CO 0.63 -3.66 1.37 -0.89 -0.54 0.00 0.00 175.26 172.17 1ip9 n ILE 64 N 8.12 0.05 -1.91 -3.70 -0.00 -0.33 -4.79 119.36 116.81 1ip9 n ILE 64 Ca 0.41 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 63.15 1ip9 n ILE 64 Cb 0.46 -0.53 0.00 0.00 -0.00 0.00 0.00 39.64 39.57 1ip9 n ILE 64 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1ip9 n LYS 65 N 2.95 0.00 -3.65 0.38 4.76 -1.26 -4.63 118.16 116.71 1ip9 n LYS 65 Ca 0.23 -0.33 -0.15 0.00 -2.87 0.00 0.00 58.31 55.18 1ip9 n LYS 65 Cb 0.09 -0.19 -0.08 0.00 -1.84 0.00 0.00 35.03 33.01 1ip9 n LYS 65 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1ip9 s THR 66 N 0.00 0.02 0.64 -0.18 -4.23 -1.26 -4.99 115.64 105.64 1ip9 s THR 66 Ca 0.00 -0.19 0.23 0.00 -1.18 0.00 0.00 61.69 60.55 1ip9 s THR 66 Cb 0.00 -0.80 0.27 0.00 1.34 0.00 0.00 72.50 73.32 1ip9 s THR 66 CO 0.00 -0.10 1.64 0.44 -0.54 0.00 0.00 174.62 176.06 1ip9 h ASP 67 N 3.79 0.00 0.15 3.99 3.32 -1.93 0.37 116.42 126.11 1ip9 h ASP 67 Ca -0.28 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.54 1ip9 h ASP 67 Cb 1.16 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.74 1ip9 h ASP 67 CO 0.35 0.00 -0.97 -1.28 -1.72 0.00 0.00 179.24 175.62 1ip9 h SER 68 N 0.00 0.59 -0.64 6.45 0.87 -1.95 -1.62 113.55 117.25 1ip9 h SER 68 Ca 0.12 -0.92 -0.02 0.00 -1.23 0.00 0.00 61.79 59.75 1ip9 h SER 68 Cb 1.38 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 63.12 1ip9 h SER 68 CO -0.00 1.46 0.34 1.56 -0.53 0.00 0.00 176.83 179.66 1ip9 h GLN 69 N -0.18 0.93 0.00 2.24 1.08 -0.68 0.27 115.11 118.77 1ip9 h GLN 69 Ca -0.16 -0.11 -0.00 0.00 -1.45 0.00 0.00 58.65 56.93 1ip9 h GLN 69 Cb 1.74 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.99 1ip9 h GLN 69 CO 0.18 0.70 -0.00 0.28 -0.95 0.00 0.00 178.83 179.04 1ip9 h VAL 70 N 0.93 1.49 0.00 -0.54 2.07 -1.46 -0.57 116.25 118.17 1ip9 h VAL 70 Ca 0.23 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1ip9 h VAL 70 Cb 0.06 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1ip9 h VAL 70 CO -0.03 0.38 0.00 -1.20 0.02 0.00 0.00 177.57 176.74 1ip9 n SER 71 N -4.79 0.62 -0.00 0.57 7.64 -0.61 -0.13 113.62 116.92 1ip9 n SER 71 Ca -0.09 0.73 -0.20 0.00 1.01 0.00 0.00 58.87 60.32 1ip9 n SER 71 Cb 0.31 -0.83 -0.14 0.00 -1.01 0.00 0.00 64.21 62.54 1ip9 n SER 71 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1ip9 h ASN 72 N 0.00 0.32 0.45 6.43 -0.73 -0.21 -1.26 115.58 120.58 1ip9 h ASN 72 Ca 0.00 -0.86 0.00 0.00 1.87 0.00 0.00 56.30 57.31 1ip9 h ASN 72 Cb 0.15 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.63 1ip9 h ASN 72 CO 0.00 1.48 0.00 0.40 -0.37 0.00 0.00 177.43 178.94 1ip9 h ILE 73 N -0.47 0.00 0.06 2.57 5.03 0.07 0.13 117.51 124.90 1ip9 h ILE 73 Ca -0.23 -0.19 -0.09 0.00 -0.12 0.00 0.00 64.86 64.23 1ip9 h ILE 73 Cb 1.60 0.98 0.01 0.00 -3.03 0.00 0.00 36.82 36.38 1ip9 h ILE 73 CO 0.05 0.00 -0.43 0.40 -0.68 0.00 0.00 178.15 177.49 1ip9 h ILE 74 N 0.00 1.62 0.00 -0.67 2.04 -0.42 0.52 117.51 120.60 1ip9 h ILE 74 Ca 0.00 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.43 1ip9 h ILE 74 Cb 0.22 3.26 0.00 0.00 -0.74 0.00 0.00 36.82 39.56 1ip9 h ILE 74 CO 0.00 0.65 0.00 1.56 0.00 0.00 0.00 178.15 180.36 1ip9 h GLN 75 N -0.71 0.00 -0.01 2.37 4.20 -0.55 -3.11 115.11 117.30 1ip9 h GLN 75 Ca -0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1ip9 h GLN 75 Cb 1.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1ip9 h GLN 75 CO 0.06 0.00 -0.01 0.00 -0.67 0.00 0.00 178.83 178.20 1ip9 n ALA 76 N -1.89 2.50 -3.37 3.87 0.00 0.38 -5.04 120.51 116.96 1ip9 n ALA 76 Ca 0.04 -0.52 -0.31 0.00 0.00 0.00 0.00 53.44 52.65 1ip9 n ALA 76 Cb 0.40 -0.20 0.03 0.00 0.00 0.00 0.00 19.45 19.68 1ip9 n ALA 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ip9 n LYS 77 N 0.24 -1.88 -4.46 0.00 4.81 0.17 -4.94 118.16 112.11 1ip9 n LYS 77 Ca 0.03 1.50 -0.34 0.00 -0.87 0.00 0.00 58.31 58.63 1ip9 n LYS 77 Cb 0.14 -2.54 -0.11 0.00 0.02 0.00 0.00 35.03 32.55 1ip9 n LYS 77 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1ip9 s LEU 78 N -2.33 3.33 0.04 3.14 2.01 -0.54 -5.01 118.68 119.33 1ip9 s LEU 78 Ca 0.33 -0.02 -0.31 0.00 0.01 0.00 0.00 54.13 54.15 1ip9 s LEU 78 Cb -0.04 -1.77 -0.07 0.00 0.01 0.00 0.00 46.19 44.33 1ip9 s LEU 78 CO 0.78 0.29 1.47 -0.54 1.01 0.00 0.00 176.35 179.36 1ip9 s LYS 79 N -0.34 4.26 0.34 1.70 1.02 -1.26 -4.46 119.74 121.00 1ip9 s LYS 79 Ca 0.06 2.09 -0.03 0.00 0.02 0.00 0.00 55.97 58.11 1ip9 s LYS 79 Cb -0.12 -3.51 -0.04 0.00 -0.52 0.00 0.00 37.83 33.63 1ip9 s LYS 79 CO 0.02 -0.59 0.58 0.42 -0.92 0.00 0.00 175.35 174.86 1ip9 s ILE 80 N 2.21 5.04 -0.09 2.17 -1.09 0.71 0.31 121.20 130.47 1ip9 s ILE 80 Ca 0.67 -0.13 0.03 0.00 -2.23 0.00 0.00 60.65 58.99 1ip9 s ILE 80 Cb -0.35 -3.80 0.01 0.00 -1.58 0.00 0.00 42.46 36.74 1ip9 s ILE 80 CO 0.29 -0.48 -0.18 -0.55 -1.23 0.00 0.00 174.94 172.78 1ip9 s SER 81 N -3.62 2.49 -0.17 3.58 0.15 -0.08 0.15 113.70 116.20 1ip9 s SER 81 Ca 0.43 -0.44 -0.05 0.00 0.70 0.00 0.00 55.95 56.59 1ip9 s SER 81 Cb -0.10 -1.14 -0.03 0.00 -1.71 0.00 0.00 66.02 63.04 1ip9 s SER 81 CO 0.34 0.10 -0.01 -0.69 1.20 0.00 0.00 173.24 174.18 1ip9 s VAL 82 N 0.52 4.02 0.23 4.45 1.01 -0.41 -1.72 120.40 128.50 1ip9 s VAL 82 Ca -0.16 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 61.60 1ip9 s VAL 82 Cb -0.17 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1ip9 s VAL 82 CO 0.06 0.47 -0.01 -1.00 0.00 0.00 0.00 175.10 174.62 1ip9 s HIS 83 N 0.55 2.74 -0.17 5.22 3.76 -0.25 -2.43 115.29 124.72 1ip9 s HIS 83 Ca -0.02 -0.19 -0.09 0.00 -0.15 0.00 0.00 55.06 54.61 1ip9 s HIS 83 Cb -0.14 -1.27 -0.05 0.00 1.11 0.00 0.00 32.58 32.24 1ip9 s HIS 83 CO 0.02 0.57 0.15 -0.51 -0.85 0.00 0.00 174.74 174.12 1ip9 s ASP 84 N -3.35 6.29 0.00 1.40 1.01 -1.26 -1.20 116.67 119.55 1ip9 s ASP 84 Ca 0.29 0.33 0.00 0.00 0.71 0.00 0.00 52.55 53.89 1ip9 s ASP 84 Cb -0.08 -2.09 0.00 0.00 1.01 0.00 0.00 42.92 41.76 1ip9 s ASP 84 CO 0.19 0.25 0.00 2.30 0.21 0.00 0.00 175.17 178.12