#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 3.56 0.73 4.61 0.00 -1.26 -5.12 121.76 124.28 1ip9 s ALA 2 Ca 0.00 -2.03 -0.12 0.00 0.00 0.00 0.00 51.96 49.81 1ip9 s ALA 2 Cb 0.00 -0.48 0.03 0.00 0.00 0.00 0.00 23.12 22.67 1ip9 s ALA 2 CO 0.00 -0.11 1.10 1.41 0.00 0.00 0.00 175.76 178.16 1ip9 s MET 3 N -3.89 2.64 0.00 0.00 1.75 -1.26 -5.06 119.30 113.48 1ip9 s MET 3 Ca 0.40 0.46 0.00 0.00 -1.25 0.00 0.00 55.69 55.31 1ip9 s MET 3 Cb 0.02 -2.00 0.00 0.00 2.84 0.00 0.00 34.83 35.69 1ip9 s MET 3 CO 0.23 -1.19 0.00 0.41 -0.65 0.00 0.00 175.02 173.82 1ip9 n GLY 4 N -2.87 3.06 1.90 2.11 0.00 -1.26 -5.11 105.19 103.02 1ip9 n GLY 4 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1ip9 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ip9 n SER 5 N 0.00 -0.04 -1.37 1.61 7.64 -1.26 -4.73 113.62 115.48 1ip9 n SER 5 Ca 0.00 0.29 0.17 0.00 1.01 0.00 0.00 58.87 60.34 1ip9 n SER 5 Cb 0.00 0.22 -0.07 0.00 -1.01 0.00 0.00 64.21 63.35 1ip9 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ip9 n SER 6 N -3.12 -7.70 -4.50 6.43 7.64 -1.26 -4.29 113.62 106.83 1ip9 n SER 6 Ca 0.00 1.02 -0.43 0.00 1.01 0.00 0.00 58.87 60.48 1ip9 n SER 6 Cb 0.00 -4.47 -0.08 0.00 -1.01 0.00 0.00 64.21 58.65 1ip9 n SER 6 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ip9 n THR 7 N -4.12 0.03 -2.78 0.44 -2.24 -1.26 -4.84 114.28 99.51 1ip9 n THR 7 Ca -0.05 -0.37 -0.43 0.00 -2.27 0.00 0.00 64.05 60.94 1ip9 n THR 7 Cb 0.66 -1.70 -0.03 0.00 -2.10 0.00 0.00 70.33 67.16 1ip9 n THR 7 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ip9 s SER 8 N 9.60 6.29 0.59 3.42 0.15 -1.26 -4.85 113.70 127.64 1ip9 s SER 8 Ca 1.14 -1.13 0.29 0.00 0.70 0.00 0.00 55.95 56.94 1ip9 s SER 8 Cb -0.74 -2.46 1.72 0.00 -1.71 0.00 0.00 66.02 62.83 1ip9 s SER 8 CO 0.41 -1.45 2.16 1.23 1.20 0.00 0.00 173.24 176.79 1ip9 h GLY 9 N 11.64 0.00 -1.37 9.45 0.00 -1.94 -3.42 103.07 117.44 1ip9 h GLY 9 Ca -0.15 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.70 1ip9 h GLY 9 CO 1.21 0.00 -0.32 1.04 0.00 0.00 0.00 176.54 178.47 1ip9 n LEU 10 N -3.83 -0.54 0.00 3.11 4.77 -1.26 -5.02 117.00 114.22 1ip9 n LEU 10 Ca -0.00 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1ip9 n LEU 10 Cb 0.22 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 1ip9 n LEU 10 CO 0.28 -3.08 0.00 1.17 -1.33 0.00 0.00 177.39 174.43 1ip9 n LYS 11 N -3.62 2.17 -4.02 3.23 4.81 -1.26 -5.03 118.16 114.44 1ip9 n LYS 11 Ca 0.05 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.16 1ip9 n LYS 11 Cb 0.56 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.55 1ip9 n LYS 11 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1ip9 s THR 12 N 1.55 4.94 -0.16 3.15 -4.23 -1.26 -4.42 115.64 115.21 1ip9 s THR 12 Ca 0.00 -0.41 -0.06 0.00 -1.18 0.00 0.00 61.69 60.03 1ip9 s THR 12 Cb 0.00 -3.32 -0.04 0.00 1.34 0.00 0.00 72.50 70.48 1ip9 s THR 12 CO 0.00 0.27 0.05 -0.89 -0.54 0.00 0.00 174.62 173.52 1ip9 s THR 13 N -1.30 4.72 -0.39 3.99 2.01 -0.40 -4.80 115.64 119.46 1ip9 s THR 13 Ca 0.27 -0.07 -0.23 0.00 0.31 0.00 0.00 61.69 61.97 1ip9 s THR 13 Cb -0.12 -3.10 0.01 0.00 0.01 0.00 0.00 72.50 69.30 1ip9 s THR 13 CO 0.18 0.49 0.78 -0.75 -0.69 0.00 0.00 174.62 174.64 1ip9 s LYS 14 N 0.10 3.64 -0.15 4.92 2.20 -1.25 -2.47 119.74 126.72 1ip9 s LYS 14 Ca 0.05 0.17 0.02 0.00 -0.36 0.00 0.00 55.97 55.85 1ip9 s LYS 14 Cb -0.12 -3.85 0.01 0.00 -1.51 0.00 0.00 37.83 32.36 1ip9 s LYS 14 CO 0.01 -0.94 -0.21 0.42 -0.36 0.00 0.00 175.35 174.27 1ip9 s ILE 15 N 3.17 2.10 -0.34 5.43 1.01 -0.63 -4.78 121.20 127.17 1ip9 s ILE 15 Ca 0.31 -0.95 -0.16 0.00 0.00 0.00 0.00 60.65 59.85 1ip9 s ILE 15 Cb -0.13 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 1ip9 s ILE 15 CO 0.19 0.54 0.39 -0.54 0.00 0.00 0.00 174.94 175.52 1ip9 s LYS 16 N 0.98 3.62 0.60 2.79 -0.14 -1.26 -0.96 119.74 125.37 1ip9 s LYS 16 Ca -0.03 -0.32 -0.08 0.00 -1.36 0.00 0.00 55.97 54.18 1ip9 s LYS 16 Cb -0.15 -3.79 -0.01 0.00 -1.68 0.00 0.00 37.83 32.20 1ip9 s LYS 16 CO -0.06 -0.52 0.95 -0.06 -0.76 0.00 0.00 175.35 174.90 1ip9 s PHE 17 N 2.09 3.42 -0.53 3.18 0.40 -0.14 -0.44 117.98 125.96 1ip9 s PHE 17 Ca 0.13 0.92 0.07 0.00 -0.60 0.00 0.00 56.93 57.45 1ip9 s PHE 17 Cb -0.16 -2.72 0.24 0.00 0.51 0.00 0.00 43.02 40.89 1ip9 s PHE 17 CO 0.12 -0.76 0.63 0.66 0.70 0.00 0.00 175.22 176.57 1ip9 n TYR 18 N -2.65 1.83 -2.32 0.36 4.02 0.47 -2.85 117.16 116.02 1ip9 n TYR 18 Ca 0.05 -3.89 -0.42 0.00 -0.01 0.00 0.00 57.90 53.62 1ip9 n TYR 18 Cb 0.56 -0.45 -0.02 0.00 -0.02 0.00 0.00 39.34 39.41 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 -1.83 2.28 0.00 -0.72 5.04 -0.61 -1.55 117.35 119.96 1ip9 s TYR 19 Ca 0.37 0.62 0.00 0.00 -2.44 0.00 0.00 57.07 55.62 1ip9 s TYR 19 Cb 0.15 -4.31 0.00 0.00 0.35 0.00 0.00 41.96 38.15 1ip9 s TYR 19 CO -0.06 -2.08 0.00 1.63 -1.34 0.00 0.00 175.55 173.70 1ip9 n LYS 20 N 8.34 0.00 0.00 4.97 5.02 -1.04 -1.05 118.16 134.39 1ip9 n LYS 20 Ca 0.16 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.59 1ip9 n LYS 20 Cb 0.48 0.00 0.55 0.00 -0.02 0.00 0.00 35.03 36.05 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 1.16 0.57 -4.92 4.39 9.92 -1.26 -4.85 116.55 121.56 1ip9 n ASP 21 Ca 0.00 -0.59 -0.26 0.00 -0.53 0.00 0.00 54.79 53.41 1ip9 n ASP 21 Cb 0.00 -0.04 -0.01 0.00 -0.64 0.00 0.00 41.12 40.43 1ip9 n ASP 21 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1ip9 s ASP 22 N -2.51 6.33 -0.02 -2.24 -1.08 -0.22 -5.10 116.67 111.83 1ip9 s ASP 22 Ca 0.27 0.63 -0.09 0.00 -0.52 0.00 0.00 52.55 52.84 1ip9 s ASP 22 Cb 0.20 -2.11 0.01 0.00 -1.46 0.00 0.00 42.92 39.56 1ip9 s ASP 22 CO 0.49 -0.33 0.20 -0.63 0.52 0.00 0.00 175.17 175.42 1ip9 s ILE 23 N -2.35 0.06 0.28 4.11 1.01 -1.26 -1.58 121.20 121.47 1ip9 s ILE 23 Ca 0.43 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.64 1ip9 s ILE 23 Cb -0.10 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.91 1ip9 s ILE 23 CO 0.36 -0.26 0.14 2.22 0.00 0.00 0.00 174.94 177.40 1ip9 n PHE 24 N 1.76 -0.15 -4.10 3.97 -1.74 -1.13 -4.94 117.46 111.13 1ip9 n PHE 24 Ca -0.20 -1.95 -0.13 0.00 -0.56 0.00 0.00 57.45 54.61 1ip9 n PHE 24 Cb 0.56 0.07 -0.11 0.00 1.52 0.00 0.00 39.48 41.53 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 -2.87 0.72 0.01 1.98 0.00 -1.26 -0.96 121.76 119.38 1ip9 s ALA 25 Ca 0.20 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1ip9 s ALA 25 Cb 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 1ip9 s ALA 25 CO 0.14 -0.07 -0.07 -1.17 0.00 0.00 0.00 175.76 174.59 1ip9 s LEU 26 N -2.00 2.11 -0.42 0.00 2.96 -0.14 -4.92 118.68 116.27 1ip9 s LEU 26 Ca -0.03 -0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 1ip9 s LEU 26 Cb -0.06 -0.29 0.11 0.00 0.50 0.00 0.00 46.19 46.46 1ip9 s LEU 26 CO -0.01 -0.02 0.24 -0.04 -1.32 0.00 0.00 176.35 175.20 1ip9 s MET 27 N -0.70 2.11 -0.02 1.98 -1.94 -1.25 -1.60 119.30 117.88 1ip9 s MET 27 Ca -0.02 -1.81 -0.17 0.00 -1.71 0.00 0.00 55.69 51.99 1ip9 s MET 27 Cb -0.05 -3.66 -0.05 0.00 2.01 0.00 0.00 34.83 33.07 1ip9 s MET 27 CO 0.00 -1.10 0.46 -0.51 -0.01 0.00 0.00 175.02 173.86 1ip9 s LEU 28 N 1.19 4.43 0.00 -0.03 1.02 -1.03 -4.70 118.68 119.56 1ip9 s LEU 28 Ca 0.08 0.99 0.17 0.00 0.02 0.00 0.00 54.13 55.39 1ip9 s LEU 28 Cb -0.24 -2.68 0.02 0.00 0.02 0.00 0.00 46.19 43.31 1ip9 s LEU 28 CO -0.03 0.22 0.92 1.17 0.02 0.00 0.00 176.35 178.65 1ip9 n LYS 29 N 2.32 1.59 0.00 1.70 4.81 -1.26 -1.28 118.16 126.04 1ip9 n LYS 29 Ca -0.11 -0.95 0.00 0.00 -0.87 0.00 0.00 58.31 56.38 1ip9 n LYS 29 Cb 0.52 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 34.25 1ip9 n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ip9 n GLY 30 N 1.17 2.75 0.37 3.14 0.00 -1.26 -4.83 105.19 106.53 1ip9 n GLY 30 Ca 0.08 -0.74 0.15 0.00 0.00 0.00 0.00 46.02 45.50 1ip9 n GLY 30 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ip9 h ASP 31 N 0.00 0.00 -1.73 1.61 2.03 -1.93 -3.41 116.42 113.00 1ip9 h ASP 31 Ca 0.00 0.00 -0.69 0.00 -0.73 0.00 0.00 57.03 55.61 1ip9 h ASP 31 Cb 0.00 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 38.53 1ip9 h ASP 31 CO 0.00 0.00 0.84 0.35 -1.03 0.00 0.00 179.24 179.40 1ip9 n THR 32 N -3.05 0.27 -3.36 1.15 -2.24 -1.26 -4.95 114.28 100.84 1ip9 n THR 32 Ca 0.04 -0.05 -0.15 0.00 -2.27 0.00 0.00 64.05 61.62 1ip9 n THR 32 Cb 0.69 -1.29 0.02 0.00 -2.10 0.00 0.00 70.33 67.65 1ip9 n THR 32 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ip9 n THR 33 N 4.17 0.00 0.09 4.28 -2.24 -1.26 -4.68 114.28 114.63 1ip9 n THR 33 Ca 0.23 -1.37 -0.18 0.00 -2.27 0.00 0.00 64.05 60.46 1ip9 n THR 33 Cb 0.19 -0.45 -0.11 0.00 -2.10 0.00 0.00 70.33 67.86 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 0.32 0.78 -0.26 4.78 3.20 -1.84 -2.73 116.97 121.21 1ip9 h TYR 34 Ca -0.21 -0.49 -0.16 0.00 3.14 0.00 0.00 58.73 61.02 1ip9 h TYR 34 Cb 0.84 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.05 1ip9 h TYR 34 CO 0.00 1.34 -0.44 0.87 -1.64 0.00 0.00 178.16 178.28 1ip9 h LYS 35 N 0.22 0.77 0.11 1.82 1.79 -1.95 -1.72 116.57 117.60 1ip9 h LYS 35 Ca -0.15 -0.47 0.02 0.00 -2.18 0.00 0.00 60.65 57.87 1ip9 h LYS 35 Cb 1.83 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 32.48 1ip9 h LYS 35 CO 0.21 1.10 -0.43 1.49 -1.08 0.00 0.00 179.45 180.73 1ip9 h GLU 36 N 0.51 -0.64 -0.89 3.15 4.57 -1.94 0.19 114.58 119.54 1ip9 h GLU 36 Ca 0.02 0.04 0.23 0.00 -1.18 0.00 0.00 59.36 58.47 1ip9 h GLU 36 Cb 1.04 0.14 -0.13 0.00 -0.16 0.00 0.00 28.75 29.65 1ip9 h GLU 36 CO 0.10 -0.42 0.34 1.25 -1.18 0.00 0.00 179.01 179.10 1ip9 h LEU 37 N -0.66 0.21 -0.11 1.64 5.85 -1.41 0.35 115.31 121.18 1ip9 h LEU 37 Ca 0.02 0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.96 1ip9 h LEU 37 Cb 0.69 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 1ip9 h LEU 37 CO -0.26 -0.07 -0.24 0.03 -0.34 0.00 0.00 178.44 177.57 1ip9 h ARG 38 N 0.32 -0.30 0.00 1.25 3.08 0.29 0.31 114.38 119.33 1ip9 h ARG 38 Ca 0.56 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.63 1ip9 h ARG 38 Cb 1.11 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1ip9 h ARG 38 CO -0.58 -0.20 0.00 0.45 -1.07 0.00 0.00 179.97 178.57 1ip9 n SER 39 N -5.36 0.00 0.03 7.04 2.88 0.18 -1.54 113.62 116.84 1ip9 n SER 39 Ca -0.03 0.25 0.11 0.00 -1.33 0.00 0.00 58.87 57.87 1ip9 n SER 39 Cb 0.28 -0.41 0.03 0.00 -0.75 0.00 0.00 64.21 63.36 1ip9 n SER 39 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ip9 n LYS 40 N -1.41 0.27 -0.07 -1.46 5.02 0.98 -4.23 118.16 117.25 1ip9 n LYS 40 Ca 0.09 -0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.30 1ip9 n LYS 40 Cb 0.27 -1.59 -0.10 0.00 -0.02 0.00 0.00 35.03 33.59 1ip9 n LYS 40 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1ip9 n ILE 41 N -1.94 0.96 -0.27 -0.18 5.41 0.85 -4.39 119.36 119.80 1ip9 n ILE 41 Ca 0.02 -0.53 0.05 0.00 1.00 0.00 0.00 62.75 63.29 1ip9 n ILE 41 Cb 0.43 -0.77 0.15 0.00 -0.71 0.00 0.00 39.64 38.75 1ip9 n ILE 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ip9 h ALA 42 N 0.49 0.75 0.00 -1.39 0.00 -1.45 0.66 119.26 118.33 1ip9 h ALA 42 Ca -0.38 0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1ip9 h ALA 42 Cb 1.78 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 20.04 1ip9 h ALA 42 CO -0.00 -0.43 -0.45 -1.00 0.00 0.00 0.00 179.25 177.36 1ip9 h PRO 43 N 0.07 0.00 -0.01 0.00 0.13 -1.77 -1.60 132.00 128.82 1ip9 h PRO 43 Ca 0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.55 1ip9 h PRO 43 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1ip9 h PRO 43 CO -0.73 0.45 -0.17 0.54 -0.23 0.00 0.00 178.00 177.86 1ip9 n ARG 44 N -3.58 0.74 -0.10 0.86 5.12 0.13 -3.74 116.66 116.09 1ip9 n ARG 44 Ca -0.00 -0.34 -0.11 0.00 -1.93 0.00 0.00 57.85 55.47 1ip9 n ARG 44 Cb 0.55 -1.49 -0.14 0.00 -1.16 0.00 0.00 32.46 30.21 1ip9 n ARG 44 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1ip9 n ILE 45 N -0.83 1.33 -0.45 0.55 5.41 0.19 -4.97 119.36 120.58 1ip9 n ILE 45 Ca 0.13 -0.77 0.00 0.00 1.00 0.00 0.00 62.75 63.12 1ip9 n ILE 45 Cb 0.31 -0.64 0.00 0.00 -0.71 0.00 0.00 39.64 38.59 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 -2.80 -0.77 -3.63 4.38 8.00 -0.65 -5.02 116.55 116.05 1ip9 n ASP 46 Ca -0.33 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.02 1ip9 n ASP 46 Cb 1.10 -0.13 -0.07 0.00 -0.02 0.00 0.00 41.12 42.00 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 -2.39 0.00 -0.84 -3.53 -1.32 -1.12 -5.05 115.64 101.39 1ip9 s THR 47 Ca 0.00 -1.81 0.09 0.00 -1.21 0.00 0.00 61.69 58.76 1ip9 s THR 47 Cb 0.00 -2.51 -0.01 0.00 -1.51 0.00 0.00 72.50 68.48 1ip9 s THR 47 CO 0.00 0.00 0.60 -0.90 -2.21 0.00 0.00 174.62 172.11 1ip9 n ASP 48 N -1.01 1.13 -4.09 8.08 5.68 -1.26 -4.41 116.55 120.66 1ip9 n ASP 48 Ca 0.03 -1.07 -0.32 0.00 -0.50 0.00 0.00 54.79 52.93 1ip9 n ASP 48 Cb 0.63 0.50 -0.16 0.00 -1.14 0.00 0.00 41.12 40.95 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 -1.33 3.57 0.16 -1.12 -0.87 -1.26 -4.97 114.94 109.11 1ip9 s ASN 49 Ca 0.08 -0.91 -0.13 0.00 -1.57 0.00 0.00 52.86 50.33 1ip9 s ASN 49 Cb 0.08 -1.48 0.01 0.00 -0.02 0.00 0.00 41.25 39.84 1ip9 s ASN 49 CO 0.24 -0.07 0.37 0.72 -2.57 0.00 0.00 177.10 175.79 1ip9 s PHE 50 N 1.24 0.11 -0.23 2.20 -0.71 -1.26 -1.74 117.98 117.60 1ip9 s PHE 50 Ca 0.00 -0.47 -0.01 0.00 -1.04 0.00 0.00 56.93 55.41 1ip9 s PHE 50 Cb -0.15 0.14 0.02 0.00 -1.21 0.00 0.00 43.02 41.82 1ip9 s PHE 50 CO -0.10 -0.77 -0.10 0.21 -1.34 0.00 0.00 175.22 173.12 1ip9 s LYS 51 N -3.90 2.89 -0.14 1.99 2.20 -0.34 -4.80 119.74 117.63 1ip9 s LYS 51 Ca 0.11 -0.93 -0.12 0.00 -0.36 0.00 0.00 55.97 54.68 1ip9 s LYS 51 Cb 0.02 -2.86 -0.05 0.00 -1.51 0.00 0.00 37.83 33.43 1ip9 s LYS 51 CO -0.04 -0.34 0.24 -0.51 -0.36 0.00 0.00 175.35 174.34 1ip9 s LEU 52 N 1.31 4.30 0.27 5.43 1.43 -1.25 -1.10 118.68 129.07 1ip9 s LEU 52 Ca 0.01 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.63 1ip9 s LEU 52 Cb -0.16 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 1ip9 s LEU 52 CO -0.07 0.21 0.15 -1.10 0.23 0.00 0.00 176.35 175.78 1ip9 s GLN 53 N -0.08 1.47 -1.11 1.70 1.11 -0.59 -1.85 119.66 120.31 1ip9 s GLN 53 Ca 0.15 -1.82 -0.17 0.00 0.01 0.00 0.00 55.36 53.53 1ip9 s GLN 53 Cb -0.13 0.02 0.12 0.00 -1.01 0.00 0.00 33.01 32.02 1ip9 s GLN 53 CO 0.04 -0.43 1.39 0.95 0.01 0.00 0.00 175.29 177.25 1ip9 s THR 54 N -3.77 4.63 -0.56 -0.19 -4.23 -1.20 -1.21 115.64 109.11 1ip9 s THR 54 Ca 0.38 -1.92 -0.09 0.00 -1.18 0.00 0.00 61.69 58.87 1ip9 s THR 54 Cb 0.06 -4.94 -0.17 0.00 1.34 0.00 0.00 72.50 68.79 1ip9 s THR 54 CO 0.16 -1.70 1.30 1.17 -0.54 0.00 0.00 174.62 175.02 1ip9 n LYS 55 N 6.84 0.00 -0.02 3.99 0.00 0.73 -2.22 118.16 127.48 1ip9 n LYS 55 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.65 1ip9 n LYS 55 Cb 0.46 -0.65 0.00 0.00 0.00 0.00 0.00 35.03 34.85 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 3.95 0.00 -0.01 3.14 4.77 -1.25 -4.50 117.00 123.10 1ip9 n LEU 56 Ca 0.38 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.50 1ip9 n LEU 56 Cb 0.06 0.00 0.61 0.00 -2.33 0.00 0.00 43.42 41.76 1ip9 n LEU 56 CO 0.59 -0.27 0.91 0.33 -1.33 0.00 0.00 177.39 177.62 1ip9 n PHE 57 N -1.07 0.00 -0.11 -1.77 7.35 -1.26 -3.95 117.46 116.65 1ip9 n PHE 57 Ca 0.00 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.48 1ip9 n PHE 57 Cb 0.00 -0.41 -0.09 0.00 0.35 0.00 0.00 39.48 39.33 1ip9 n PHE 57 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1ip9 n ASP 58 N -1.42 1.87 0.00 -2.13 5.75 -1.26 -5.03 116.55 114.32 1ip9 n ASP 58 Ca 0.09 0.13 0.00 0.00 -0.01 0.00 0.00 54.79 55.00 1ip9 n ASP 58 Cb 0.32 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 1ip9 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ip9 n GLY 59 N 1.91 -0.08 3.42 6.12 0.00 -1.25 -5.15 105.19 110.15 1ip9 n GLY 59 Ca -0.42 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 1ip9 n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ip9 s SER 60 N -1.88 -0.56 0.00 1.61 1.04 -1.26 -3.89 113.70 108.76 1ip9 s SER 60 Ca 0.00 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1ip9 s SER 60 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1ip9 s SER 60 CO 0.00 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.87 1ip9 n GLY 61 N -0.37 3.26 3.55 7.32 0.00 -0.94 -4.43 105.19 113.58 1ip9 n GLY 61 Ca -0.17 -0.38 -0.17 0.00 0.00 0.00 0.00 46.02 45.31 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 0.52 -1.53 1.61 -0.58 -1.26 -4.46 120.64 114.94 1ip9 n GLU 62 Ca 0.00 -0.66 -0.39 0.00 -0.42 0.00 0.00 57.16 55.69 1ip9 n GLU 62 Cb 0.00 -3.30 -0.07 0.00 -0.57 0.00 0.00 31.44 27.50 1ip9 n GLU 62 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1ip9 n GLU 63 N 8.40 0.69 -1.68 3.49 4.07 -1.26 -3.23 120.64 131.12 1ip9 n GLU 63 Ca 0.49 0.02 -0.47 0.00 -0.06 0.00 0.00 57.16 57.14 1ip9 n GLU 63 Cb 0.40 -2.71 -0.04 0.00 -0.06 0.00 0.00 31.44 29.02 1ip9 n GLU 63 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1ip9 n ILE 64 N 7.78 0.34 -2.02 6.31 -0.00 -0.77 -4.78 119.36 126.22 1ip9 n ILE 64 Ca 0.47 -0.06 -0.01 0.00 -0.00 0.00 0.00 62.75 63.15 1ip9 n ILE 64 Cb 0.35 -1.75 -0.01 0.00 -0.00 0.00 0.00 39.64 38.23 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 5.32 0.00 -3.65 0.38 5.02 -1.26 -4.64 118.16 119.33 1ip9 n LYS 65 Ca 0.20 -0.40 -0.15 0.00 -2.02 0.00 0.00 58.31 55.94 1ip9 n LYS 65 Cb 0.30 -0.04 -0.08 0.00 -0.02 0.00 0.00 35.03 35.19 1ip9 n LYS 65 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1ip9 s THR 66 N 0.00 0.01 0.64 -0.18 -4.23 -1.26 -4.99 115.64 105.63 1ip9 s THR 66 Ca 0.01 -0.10 0.21 0.00 -1.18 0.00 0.00 61.69 60.64 1ip9 s THR 66 Cb 0.02 -0.81 0.25 0.00 1.34 0.00 0.00 72.50 73.29 1ip9 s THR 66 CO -0.01 -0.05 1.58 0.44 -0.54 0.00 0.00 174.62 176.04 1ip9 h ASP 67 N 4.31 0.00 0.17 3.99 3.32 -1.94 0.33 116.42 126.60 1ip9 h ASP 67 Ca -0.28 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.52 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 0.27 0.00 -1.07 0.28 -1.72 0.00 0.00 179.24 177.00 1ip9 h SER 68 N 0.00 0.65 -0.28 6.45 0.02 -1.95 -1.71 113.55 116.73 1ip9 h SER 68 Ca 0.12 -0.92 -0.03 0.00 -0.84 0.00 0.00 61.79 60.12 1ip9 h SER 68 Cb 1.47 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.78 1ip9 h SER 68 CO -0.00 1.51 0.08 1.56 -1.14 0.00 0.00 176.83 178.85 1ip9 h GLN 69 N -0.11 0.53 -0.00 3.45 1.08 -0.73 0.25 115.11 119.58 1ip9 h GLN 69 Ca -0.18 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 56.92 1ip9 h GLN 69 Cb 1.83 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 29.17 1ip9 h GLN 69 CO 0.20 0.49 -0.04 0.28 -0.95 0.00 0.00 178.83 178.82 1ip9 h VAL 70 N 0.52 1.56 0.00 -0.54 2.07 -1.50 -0.89 116.25 117.47 1ip9 h VAL 70 Ca 0.12 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 65.94 1ip9 h VAL 70 Cb 0.20 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1ip9 h VAL 70 CO -0.00 0.45 0.00 0.28 0.02 0.00 0.00 177.57 178.31 1ip9 h SER 71 N -0.67 0.00 0.10 0.57 0.02 -1.03 0.23 113.55 112.77 1ip9 h SER 71 Ca -0.00 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 1ip9 h SER 71 Cb 0.75 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.30 1ip9 h SER 71 CO 0.01 0.00 -0.90 -1.13 -1.14 0.00 0.00 176.83 173.67 1ip9 h ASN 72 N 0.00 0.33 0.41 3.07 -1.24 -0.29 -0.83 115.58 117.03 1ip9 h ASN 72 Ca 0.00 -0.90 0.00 0.00 0.71 0.00 0.00 56.30 56.11 1ip9 h ASN 72 Cb 0.14 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.09 1ip9 h ASN 72 CO 0.00 1.40 0.00 0.40 -1.29 0.00 0.00 177.43 177.94 1ip9 h ILE 73 N -0.50 0.00 0.15 2.57 5.03 0.11 0.66 117.51 125.53 1ip9 h ILE 73 Ca -0.18 -0.17 -0.23 0.00 -0.12 0.00 0.00 64.86 64.16 1ip9 h ILE 73 Cb 1.55 0.95 0.02 0.00 -3.03 0.00 0.00 36.82 36.30 1ip9 h ILE 73 CO 0.07 0.00 -1.04 0.40 -0.68 0.00 0.00 178.15 176.90 1ip9 h ILE 74 N 0.00 1.37 0.00 -0.67 2.04 -0.43 0.53 117.51 120.35 1ip9 h ILE 74 Ca 0.00 -2.53 0.00 0.00 1.00 0.00 0.00 64.86 63.33 1ip9 h ILE 74 Cb 0.21 3.08 0.00 0.00 -0.74 0.00 0.00 36.82 39.36 1ip9 h ILE 74 CO 0.00 0.73 -0.01 1.56 0.00 0.00 0.00 178.15 180.43 1ip9 h GLN 75 N -0.28 0.00 -0.01 2.37 4.20 -0.30 -3.24 115.11 117.85 1ip9 h GLN 75 Ca -0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1ip9 h GLN 75 Cb 1.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.53 1ip9 h GLN 75 CO 0.15 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.31 1ip9 n ALA 76 N -1.93 2.44 -3.45 3.87 0.00 0.15 -5.04 120.51 116.54 1ip9 n ALA 76 Ca 0.05 -0.57 -0.36 0.00 0.00 0.00 0.00 53.44 52.56 1ip9 n ALA 76 Cb 0.48 -0.05 0.04 0.00 0.00 0.00 0.00 19.45 19.92 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 0.02 -1.89 -4.05 0.00 4.81 0.18 -4.92 118.16 112.31 1ip9 n LYS 77 Ca 0.01 1.45 -0.35 0.00 -0.87 0.00 0.00 58.31 58.54 1ip9 n LYS 77 Cb 0.06 -2.22 -0.08 0.00 0.02 0.00 0.00 35.03 32.81 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 -2.39 3.97 0.04 3.14 2.01 -0.76 -5.01 118.68 119.67 1ip9 s LEU 78 Ca 0.36 0.24 -0.30 0.00 0.01 0.00 0.00 54.13 54.44 1ip9 s LEU 78 Cb -0.04 -1.97 -0.07 0.00 0.01 0.00 0.00 46.19 44.12 1ip9 s LEU 78 CO 0.83 0.31 1.58 -0.54 1.01 0.00 0.00 176.35 179.54 1ip9 s LYS 79 N -0.47 4.22 0.27 1.70 1.02 -1.26 -4.46 119.74 120.76 1ip9 s LYS 79 Ca 0.10 2.21 -0.03 0.00 0.02 0.00 0.00 55.97 58.26 1ip9 s LYS 79 Cb -0.12 -3.63 -0.05 0.00 -0.52 0.00 0.00 37.83 33.52 1ip9 s LYS 79 CO 0.02 -0.70 0.51 0.42 -0.92 0.00 0.00 175.35 174.68 1ip9 s ILE 80 N 2.70 5.08 -0.07 2.17 -1.09 0.41 0.26 121.20 130.66 1ip9 s ILE 80 Ca 0.71 -0.09 0.05 0.00 -2.23 0.00 0.00 60.65 59.08 1ip9 s ILE 80 Cb -0.37 -3.74 -0.00 0.00 -1.58 0.00 0.00 42.46 36.77 1ip9 s ILE 80 CO 0.30 -0.29 -0.23 -0.55 -1.23 0.00 0.00 174.94 172.94 1ip9 s SER 81 N -3.21 2.91 -0.13 3.58 0.15 -0.35 0.18 113.70 116.83 1ip9 s SER 81 Ca 0.42 -0.50 -0.02 0.00 0.70 0.00 0.00 55.95 56.55 1ip9 s SER 81 Cb -0.11 -1.03 -0.02 0.00 -1.71 0.00 0.00 66.02 63.15 1ip9 s SER 81 CO 0.30 0.19 -0.08 -0.69 1.20 0.00 0.00 173.24 174.16 1ip9 s VAL 82 N 0.09 3.49 0.37 4.45 1.01 -0.60 -1.54 120.40 127.67 1ip9 s VAL 82 Ca -0.10 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.45 1ip9 s VAL 82 Cb -0.15 -2.49 -0.06 0.00 0.00 0.00 0.00 36.38 33.68 1ip9 s VAL 82 CO 0.06 0.52 0.03 -1.00 0.00 0.00 0.00 175.10 174.70 1ip9 s HIS 83 N 0.24 2.53 -0.21 5.22 3.76 -0.26 -2.49 115.29 124.09 1ip9 s HIS 83 Ca -0.06 -0.52 -0.10 0.00 -0.15 0.00 0.00 55.06 54.24 1ip9 s HIS 83 Cb -0.15 -1.62 -0.05 0.00 1.11 0.00 0.00 32.58 31.88 1ip9 s HIS 83 CO 0.04 0.43 0.13 -0.51 -0.85 0.00 0.00 174.74 173.98 1ip9 s ASP 84 N -3.74 6.03 0.00 1.40 1.01 -1.26 -1.20 116.67 118.91 1ip9 s ASP 84 Ca 0.36 0.14 0.00 0.00 0.71 0.00 0.00 52.55 53.76 1ip9 s ASP 84 Cb 0.03 -2.07 0.00 0.00 1.01 0.00 0.00 42.92 41.89 1ip9 s ASP 84 CO 0.19 0.13 0.00 2.30 0.21 0.00 0.00 175.17 178.00