#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 4.31 0.10 4.61 0.00 -1.26 -5.08 121.76 124.44 1ip9 s ALA 2 Ca 0.00 -1.65 -0.30 0.00 0.00 0.00 0.00 51.96 50.01 1ip9 s ALA 2 Cb 0.00 -0.93 -0.06 0.00 0.00 0.00 0.00 23.12 22.13 1ip9 s ALA 2 CO 0.00 -0.42 0.98 0.00 0.00 0.00 0.00 175.76 176.32 1ip9 s MET 3 N -4.27 4.68 0.00 0.00 0.00 -1.26 -4.76 119.30 113.69 1ip9 s MET 3 Ca 0.44 1.47 0.00 0.00 0.00 0.00 0.00 55.69 57.59 1ip9 s MET 3 Cb -0.03 -3.38 0.00 0.00 0.00 0.00 0.00 34.83 31.42 1ip9 s MET 3 CO 0.26 0.17 0.00 0.41 0.00 0.00 0.00 175.02 175.87 1ip9 n GLY 4 N 2.31 0.36 2.65 3.16 0.00 -1.26 -5.02 105.19 107.39 1ip9 n GLY 4 Ca 0.03 -1.25 -0.22 0.00 0.00 0.00 0.00 46.02 44.57 1ip9 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ip9 s SER 5 N -4.00 1.61 0.00 1.61 0.01 -1.26 -5.11 113.70 106.56 1ip9 s SER 5 Ca 0.00 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.07 1ip9 s SER 5 Cb 0.00 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.05 1ip9 s SER 5 CO 0.00 -0.29 0.00 -1.20 0.41 0.00 0.00 173.24 172.16 1ip9 n SER 6 N 5.29 0.00 -2.67 2.44 7.64 -1.26 -5.13 113.62 119.93 1ip9 n SER 6 Ca -0.05 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.73 1ip9 n SER 6 Cb 0.50 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1ip9 n SER 6 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1ip9 n THR 7 N 0.00 0.00 -3.87 0.44 5.66 -1.26 -5.11 114.28 110.14 1ip9 n THR 7 Ca 0.00 -1.26 -0.35 0.00 -3.05 0.00 0.00 64.05 59.39 1ip9 n THR 7 Cb 0.00 0.92 -0.13 0.00 -1.55 0.00 0.00 70.33 69.57 1ip9 n THR 7 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1ip9 s SER 8 N -2.87 5.02 -0.81 1.09 0.15 -1.26 -4.75 113.70 110.27 1ip9 s SER 8 Ca 0.20 -1.67 -0.26 0.00 0.70 0.00 0.00 55.95 54.93 1ip9 s SER 8 Cb -0.02 -1.75 0.03 0.00 -1.71 0.00 0.00 66.02 62.57 1ip9 s SER 8 CO 0.15 -0.38 1.36 -0.83 1.20 0.00 0.00 173.24 174.74 1ip9 s GLY 9 N 1.43 0.94 -0.90 9.45 0.00 -1.26 -4.94 107.32 112.04 1ip9 s GLY 9 Ca 0.02 -1.58 -0.24 0.00 0.00 0.00 0.00 44.72 42.92 1ip9 s GLY 9 CO -0.03 2.71 1.36 1.08 0.00 0.00 0.00 173.10 178.22 1ip9 s LEU 10 N 5.76 3.46 0.00 0.66 1.43 -1.26 -4.88 118.68 123.85 1ip9 s LEU 10 Ca 0.40 -1.09 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1ip9 s LEU 10 Cb -0.06 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.60 1ip9 s LEU 10 CO 0.08 -1.61 0.00 1.17 0.23 0.00 0.00 176.35 176.22 1ip9 n LYS 11 N 8.95 0.00 -1.82 1.70 4.81 -1.26 -5.10 118.16 125.43 1ip9 n LYS 11 Ca 0.20 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.22 1ip9 n LYS 11 Cb 0.50 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.52 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 -2.00 3.28 0.06 3.15 -4.23 -1.26 -4.74 115.64 109.90 1ip9 s THR 12 Ca 0.00 0.32 -0.30 0.00 -1.18 0.00 0.00 61.69 60.53 1ip9 s THR 12 Cb 0.00 -3.27 -0.05 0.00 1.34 0.00 0.00 72.50 70.53 1ip9 s THR 12 CO 0.00 -0.10 1.00 -0.89 -0.54 0.00 0.00 174.62 174.09 1ip9 s THR 13 N 5.61 4.58 -0.35 3.99 2.01 -0.54 -4.71 115.64 126.23 1ip9 s THR 13 Ca 0.85 1.98 -0.24 0.00 0.31 0.00 0.00 61.69 64.60 1ip9 s THR 13 Cb -0.34 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 67.91 1ip9 s THR 13 CO 0.35 0.23 0.80 -0.75 -0.69 0.00 0.00 174.62 174.56 1ip9 s LYS 14 N 0.51 3.83 -0.13 4.92 2.20 -1.26 -2.48 119.74 127.33 1ip9 s LYS 14 Ca 0.50 0.43 0.02 0.00 -0.36 0.00 0.00 55.97 56.56 1ip9 s LYS 14 Cb -0.23 -3.78 0.01 0.00 -1.51 0.00 0.00 37.83 32.32 1ip9 s LYS 14 CO 0.29 -0.81 -0.20 0.42 -0.36 0.00 0.00 175.35 174.70 1ip9 s ILE 15 N 3.10 1.86 -0.34 5.43 1.01 -0.81 -4.82 121.20 126.63 1ip9 s ILE 15 Ca 0.32 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 59.96 1ip9 s ILE 15 Cb -0.13 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.66 1ip9 s ILE 15 CO 0.16 0.51 0.36 -0.54 0.00 0.00 0.00 174.94 175.43 1ip9 s LYS 16 N 0.88 3.55 0.86 2.79 -0.14 -1.26 -1.12 119.74 125.31 1ip9 s LYS 16 Ca -0.07 -0.43 -0.13 0.00 -1.36 0.00 0.00 55.97 53.99 1ip9 s LYS 16 Cb -0.15 -3.81 0.14 0.00 -1.68 0.00 0.00 37.83 32.33 1ip9 s LYS 16 CO -0.02 -0.53 1.22 -0.06 -0.76 0.00 0.00 175.35 175.20 1ip9 s PHE 17 N 2.01 2.22 -0.39 3.18 0.40 -0.19 -1.02 117.98 124.19 1ip9 s PHE 17 Ca 0.12 0.44 0.09 0.00 -0.60 0.00 0.00 56.93 56.97 1ip9 s PHE 17 Cb -0.17 -3.73 0.27 0.00 0.51 0.00 0.00 43.02 39.90 1ip9 s PHE 17 CO 0.12 -2.15 0.56 0.66 0.70 0.00 0.00 175.22 175.11 1ip9 n TYR 18 N -3.45 -0.20 -2.27 0.36 4.02 0.72 -3.51 117.16 112.82 1ip9 n TYR 18 Ca 0.12 -3.61 -0.43 0.00 -0.01 0.00 0.00 57.90 53.97 1ip9 n TYR 18 Cb 0.60 -0.37 -0.02 0.00 -0.02 0.00 0.00 39.34 39.53 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 -1.41 2.33 0.00 -0.72 5.04 -0.95 -1.78 117.35 119.85 1ip9 s TYR 19 Ca 0.36 0.69 0.00 0.00 -2.44 0.00 0.00 57.07 55.68 1ip9 s TYR 19 Cb 0.20 -4.10 0.00 0.00 0.35 0.00 0.00 41.96 38.40 1ip9 s TYR 19 CO -0.10 -2.26 0.00 1.63 -1.34 0.00 0.00 175.55 173.48 1ip9 n LYS 20 N 7.82 0.00 0.00 4.97 5.02 -1.03 -1.85 118.16 133.09 1ip9 n LYS 20 Ca 0.17 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.58 1ip9 n LYS 20 Cb 0.47 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 35.72 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 1.57 0.67 -4.93 4.39 8.00 -1.26 -4.88 116.55 120.11 1ip9 n ASP 21 Ca 0.00 -0.46 -0.26 0.00 0.71 0.00 0.00 54.79 54.78 1ip9 n ASP 21 Cb 0.00 0.29 0.02 0.00 -0.02 0.00 0.00 41.12 41.40 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 -2.89 5.85 -0.03 -2.24 -1.08 -0.77 -5.10 116.67 110.41 1ip9 s ASP 22 Ca 0.14 0.62 -0.11 0.00 -0.52 0.00 0.00 52.55 52.68 1ip9 s ASP 22 Cb 0.18 -1.79 0.02 0.00 -1.46 0.00 0.00 42.92 39.86 1ip9 s ASP 22 CO 0.67 -0.81 0.24 -0.63 0.52 0.00 0.00 175.17 175.16 1ip9 s ILE 23 N -2.77 0.06 0.23 4.11 1.09 -1.26 -2.24 121.20 120.42 1ip9 s ILE 23 Ca 0.50 -0.46 0.02 0.00 -1.10 0.00 0.00 60.65 59.62 1ip9 s ILE 23 Cb -0.10 -0.50 -0.01 0.00 -1.06 0.00 0.00 42.46 40.79 1ip9 s ILE 23 CO 0.42 -0.25 0.08 2.22 -0.10 0.00 0.00 174.94 177.31 1ip9 n PHE 24 N 1.68 0.10 -4.12 3.97 -1.74 -1.23 -4.95 117.46 111.16 1ip9 n PHE 24 Ca -0.20 -1.47 -0.09 0.00 -0.56 0.00 0.00 57.45 55.12 1ip9 n PHE 24 Cb 0.56 -0.01 -0.10 0.00 1.52 0.00 0.00 39.48 41.45 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 -2.62 0.73 -0.01 1.98 0.00 -1.26 -1.02 121.76 119.56 1ip9 s ALA 25 Ca 0.11 -1.24 -0.02 0.00 0.00 0.00 0.00 51.96 50.82 1ip9 s ALA 25 Cb 0.01 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1ip9 s ALA 25 CO 0.08 -0.28 0.04 -1.17 0.00 0.00 0.00 175.76 174.43 1ip9 s LEU 26 N -2.87 1.87 -0.39 0.00 2.96 -0.27 -4.95 118.68 115.02 1ip9 s LEU 26 Ca 0.08 -0.01 -0.10 0.00 -0.22 0.00 0.00 54.13 53.88 1ip9 s LEU 26 Cb 0.05 0.18 0.05 0.00 0.50 0.00 0.00 46.19 46.98 1ip9 s LEU 26 CO -0.07 -0.08 0.22 -0.04 -1.32 0.00 0.00 176.35 175.07 1ip9 s MET 27 N -0.28 2.70 -0.13 1.98 -1.94 -1.26 -1.93 119.30 118.44 1ip9 s MET 27 Ca -0.03 -1.27 -0.14 0.00 -1.71 0.00 0.00 55.69 52.54 1ip9 s MET 27 Cb -0.02 -3.73 -0.05 0.00 2.01 0.00 0.00 34.83 33.04 1ip9 s MET 27 CO -0.00 -0.82 0.32 -0.51 -0.01 0.00 0.00 175.02 174.00 1ip9 s LEU 28 N 1.48 4.28 0.00 -0.03 1.02 -1.04 -4.80 118.68 119.60 1ip9 s LEU 28 Ca 0.02 0.60 0.18 0.00 0.02 0.00 0.00 54.13 54.95 1ip9 s LEU 28 Cb -0.21 -2.42 0.51 0.00 0.02 0.00 0.00 46.19 44.09 1ip9 s LEU 28 CO 0.04 0.13 1.43 1.17 0.02 0.00 0.00 176.35 179.13 1ip9 n LYS 29 N 3.31 2.29 0.00 1.70 0.00 -1.26 -1.47 118.16 122.73 1ip9 n LYS 29 Ca -0.12 -2.00 0.00 0.00 0.00 0.00 0.00 58.31 56.19 1ip9 n LYS 29 Cb 0.52 -1.44 0.00 0.00 0.00 0.00 0.00 35.03 34.11 1ip9 n LYS 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ip9 n GLY 30 N 1.39 2.98 0.12 3.14 0.00 -1.26 -4.80 105.19 106.76 1ip9 n GLY 30 Ca 0.19 -0.72 0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 0.35 0.00 -1.73 1.61 3.04 -2.00 -3.45 116.42 114.23 1ip9 h ASP 31 Ca 0.00 0.00 -0.69 0.00 -3.24 0.00 0.00 57.03 53.10 1ip9 h ASP 31 Cb 0.00 0.00 0.03 0.00 -1.04 0.00 0.00 39.33 38.32 1ip9 h ASP 31 CO 0.00 0.00 0.86 0.41 -2.04 0.00 0.00 179.24 178.47 1ip9 n THR 32 N -2.34 0.29 -2.91 1.15 -1.04 -1.26 -4.95 114.28 103.23 1ip9 n THR 32 Ca 0.05 -0.05 -0.12 0.00 -2.04 0.00 0.00 64.05 61.88 1ip9 n THR 32 Cb 0.39 -1.32 0.05 0.00 -1.82 0.00 0.00 70.33 67.62 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 4.25 0.00 0.12 12.58 -2.24 -1.26 -4.47 114.28 123.26 1ip9 n THR 33 Ca 0.23 -1.10 -0.20 0.00 -2.27 0.00 0.00 64.05 60.72 1ip9 n THR 33 Cb 0.19 -0.79 -0.14 0.00 -2.10 0.00 0.00 70.33 67.49 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 -0.06 0.75 0.00 4.78 3.20 -1.85 -1.71 116.97 122.08 1ip9 h TYR 34 Ca -0.17 -0.53 -0.11 0.00 3.14 0.00 0.00 58.73 61.06 1ip9 h TYR 34 Cb 0.74 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 1ip9 h TYR 34 CO 0.00 1.40 -0.55 0.87 -1.64 0.00 0.00 178.16 178.25 1ip9 h LYS 35 N 0.14 0.00 -0.27 1.82 1.57 -1.95 -1.12 116.57 116.75 1ip9 h LYS 35 Ca -0.18 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 1ip9 h LYS 35 Cb 2.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.32 1ip9 h LYS 35 CO 0.23 0.55 -0.05 1.49 -0.57 0.00 0.00 179.45 181.10 1ip9 h GLU 36 N 0.00 0.52 -0.90 3.15 4.57 -1.92 -1.77 114.58 118.22 1ip9 h GLU 36 Ca -0.01 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 58.02 1ip9 h GLU 36 Cb 1.14 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.65 1ip9 h GLU 36 CO 0.07 0.71 0.59 1.25 -1.18 0.00 0.00 179.01 180.46 1ip9 h LEU 37 N 0.28 0.98 -0.27 1.64 6.46 -1.02 0.35 115.31 123.72 1ip9 h LEU 37 Ca 0.07 -0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.87 1ip9 h LEU 37 Cb 0.51 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.18 1ip9 h LEU 37 CO 0.02 0.67 0.00 -0.09 -0.62 0.00 0.00 178.44 178.43 1ip9 h ARG 38 N 1.13 0.08 0.00 1.25 2.43 -0.43 0.27 114.38 119.11 1ip9 h ARG 38 Ca 0.36 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1ip9 h ARG 38 Cb 0.01 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1ip9 h ARG 38 CO -0.11 0.05 0.00 0.43 -1.51 0.00 0.00 179.97 178.84 1ip9 n SER 39 N -5.15 0.78 0.03 -3.80 7.64 -0.73 -1.36 113.62 111.03 1ip9 n SER 39 Ca -0.01 0.62 0.12 0.00 1.01 0.00 0.00 58.87 60.60 1ip9 n SER 39 Cb 0.14 -0.81 0.14 0.00 -1.01 0.00 0.00 64.21 62.67 1ip9 n SER 39 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ip9 n LYS 40 N -2.28 0.19 -0.04 1.43 5.02 0.03 -4.16 118.16 118.35 1ip9 n LYS 40 Ca 0.04 0.03 -0.03 0.00 -2.02 0.00 0.00 58.31 56.33 1ip9 n LYS 40 Cb 0.35 -1.59 -0.09 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.86 0.59 -0.23 -0.18 5.41 0.76 -4.59 119.36 119.27 1ip9 n ILE 41 Ca 0.04 -0.43 0.04 0.00 1.00 0.00 0.00 62.75 63.40 1ip9 n ILE 41 Cb 0.40 -0.50 0.15 0.00 -0.71 0.00 0.00 39.64 38.99 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 0.67 0.84 0.00 -1.39 0.00 -1.38 0.14 119.26 118.13 1ip9 h ALA 42 Ca -0.23 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ip9 h ALA 42 Cb 1.43 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1ip9 h ALA 42 CO 0.01 -0.34 0.00 -1.00 0.00 0.00 0.00 179.25 177.92 1ip9 h PRO 43 N 0.23 0.00 -0.00 0.00 0.13 -1.80 -2.03 132.00 128.53 1ip9 h PRO 43 Ca 0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.51 1ip9 h PRO 43 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1ip9 h PRO 43 CO -0.50 0.00 -0.64 0.54 -0.23 0.00 0.00 178.00 177.17 1ip9 n ARG 44 N -3.01 0.41 -0.08 0.86 5.12 0.26 -4.21 116.66 116.01 1ip9 n ARG 44 Ca 0.01 -0.31 -0.14 0.00 -1.93 0.00 0.00 57.85 55.48 1ip9 n ARG 44 Cb 0.32 -1.49 -0.14 0.00 -1.16 0.00 0.00 32.46 29.99 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 -1.03 1.52 -0.37 0.55 5.41 0.06 -4.97 119.36 120.53 1ip9 n ILE 45 Ca 0.07 -0.71 0.00 0.00 1.00 0.00 0.00 62.75 63.10 1ip9 n ILE 45 Cb 0.37 -1.08 0.00 0.00 -0.71 0.00 0.00 39.64 38.21 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 -3.09 -1.10 -3.61 4.38 8.00 -0.81 -5.04 116.55 115.28 1ip9 n ASP 46 Ca -0.35 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.02 1ip9 n ASP 46 Cb 1.07 -0.18 -0.06 0.00 -0.02 0.00 0.00 41.12 41.92 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 -2.00 0.00 -0.85 -3.53 -1.32 -1.20 -5.05 115.64 101.69 1ip9 s THR 47 Ca 0.00 -1.66 0.08 0.00 -1.21 0.00 0.00 61.69 58.90 1ip9 s THR 47 Cb 0.00 -2.50 0.13 0.00 -1.51 0.00 0.00 72.50 68.63 1ip9 s THR 47 CO 0.00 0.00 0.95 0.47 -2.21 0.00 0.00 174.62 173.83 1ip9 n ASP 48 N -0.96 2.12 -3.89 8.08 8.00 -1.26 -4.51 116.55 124.12 1ip9 n ASP 48 Ca 0.01 -1.64 -0.29 0.00 0.71 0.00 0.00 54.79 53.59 1ip9 n ASP 48 Cb 0.62 -0.08 -0.16 0.00 -0.02 0.00 0.00 41.12 41.49 1ip9 n ASP 48 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1ip9 s ASN 49 N -0.82 3.03 0.13 -2.24 0.01 -1.26 -5.02 114.94 108.77 1ip9 s ASN 49 Ca 0.13 -0.77 -0.18 0.00 -0.71 0.00 0.00 52.86 51.33 1ip9 s ASN 49 Cb 0.08 -0.95 0.05 0.00 0.41 0.00 0.00 41.25 40.83 1ip9 s ASN 49 CO 0.11 -0.20 0.46 0.72 -1.51 0.00 0.00 177.10 176.68 1ip9 s PHE 50 N 1.60 -0.30 -0.09 2.20 -0.71 -1.26 -1.55 117.98 117.86 1ip9 s PHE 50 Ca -0.01 0.02 0.00 0.00 -1.04 0.00 0.00 56.93 55.91 1ip9 s PHE 50 Cb -0.16 0.35 -0.03 0.00 -1.21 0.00 0.00 43.02 41.97 1ip9 s PHE 50 CO -0.08 -0.74 -0.08 0.15 -1.34 0.00 0.00 175.22 173.13 1ip9 s LYS 51 N -3.77 2.99 -0.07 1.99 1.02 -0.53 -4.87 119.74 116.51 1ip9 s LYS 51 Ca 0.02 -0.58 0.02 0.00 0.02 0.00 0.00 55.97 55.46 1ip9 s LYS 51 Cb 0.01 -2.64 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 1ip9 s LYS 51 CO -0.12 0.51 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.19 1ip9 s LEU 52 N -0.40 2.85 0.26 3.17 1.43 -1.26 -1.47 118.68 123.27 1ip9 s LEU 52 Ca 0.06 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1ip9 s LEU 52 Cb -0.12 -1.60 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 1ip9 s LEU 52 CO 0.02 0.32 0.11 -1.10 0.23 0.00 0.00 176.35 175.93 1ip9 s GLN 53 N -0.56 1.43 -1.27 1.70 1.11 -0.59 -0.90 119.66 120.57 1ip9 s GLN 53 Ca 0.08 -1.78 -0.16 0.00 0.01 0.00 0.00 55.36 53.51 1ip9 s GLN 53 Cb -0.12 -0.19 0.11 0.00 -1.01 0.00 0.00 33.01 31.81 1ip9 s GLN 53 CO 0.01 -0.33 1.63 0.25 0.01 0.00 0.00 175.29 176.86 1ip9 n THR 54 N -0.47 4.07 -0.84 -0.19 -2.24 -0.01 -1.24 114.28 113.36 1ip9 n THR 54 Ca 0.00 -4.35 -0.24 0.00 -2.27 0.00 0.00 64.05 57.20 1ip9 n THR 54 Cb 0.66 -2.41 -0.08 0.00 -2.10 0.00 0.00 70.33 66.40 1ip9 n THR 54 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ip9 n LYS 55 N 7.06 0.00 0.00 -0.78 0.00 1.00 -3.73 118.16 121.71 1ip9 n LYS 55 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.75 1ip9 n LYS 55 Cb 0.44 -0.85 0.00 0.00 0.00 0.00 0.00 35.03 34.62 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 5.79 0.00 -0.12 3.14 4.77 -1.26 -4.21 117.00 125.11 1ip9 n LEU 56 Ca 0.37 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 56.17 1ip9 n LEU 56 Cb 0.01 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.98 1ip9 n LEU 56 CO 0.53 0.00 -1.31 0.33 -1.33 0.00 0.00 177.39 175.61 1ip9 n PHE 57 N 0.00 0.06 0.08 -1.77 7.35 -1.26 -4.34 117.46 117.58 1ip9 n PHE 57 Ca 0.00 0.01 -0.03 0.00 -0.76 0.00 0.00 57.45 56.67 1ip9 n PHE 57 Cb 0.00 -1.01 0.20 0.00 0.35 0.00 0.00 39.48 39.02 1ip9 n PHE 57 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 1ip9 h ASP 58 N 0.00 0.29 0.00 -2.13 2.03 -1.98 -3.46 116.42 111.18 1ip9 h ASP 58 Ca -0.57 -0.13 0.00 0.00 -0.73 0.00 0.00 57.03 55.60 1ip9 h ASP 58 Cb 1.93 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 40.35 1ip9 h ASP 58 CO -0.07 0.70 0.00 0.61 -1.03 0.00 0.00 179.24 179.44 1ip9 n GLY 59 N -0.11 1.01 0.00 7.15 0.00 -1.26 -5.12 105.19 106.86 1ip9 n GLY 59 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.00 1.61 3.41 -1.26 -4.66 113.62 112.71 1ip9 n SER 60 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ip9 n SER 60 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.19 0.47 3.62 5.00 0.00 -1.24 -4.32 105.19 108.53 1ip9 n GLY 61 Ca 0.00 0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 1ip9 n GLY 61 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ip9 s GLU 62 N 1.22 3.78 -0.85 1.61 2.12 -1.26 -4.67 118.70 120.64 1ip9 s GLU 62 Ca 0.00 1.21 -0.25 0.00 0.36 0.00 0.00 54.97 56.29 1ip9 s GLU 62 Cb 0.00 -3.96 -0.02 0.00 0.26 0.00 0.00 34.13 30.41 1ip9 s GLU 62 CO 0.00 -1.30 1.81 -2.00 -0.54 0.00 0.00 175.26 173.23 1ip9 s GLU 63 N 4.52 2.77 -0.25 4.30 2.12 -1.26 -0.83 118.70 130.06 1ip9 s GLU 63 Ca 0.61 -0.23 -0.42 0.00 0.36 0.00 0.00 54.97 55.28 1ip9 s GLU 63 Cb -0.17 -4.92 -0.18 0.00 0.26 0.00 0.00 34.13 29.12 1ip9 s GLU 63 CO 0.27 -2.99 1.49 -0.89 -0.54 0.00 0.00 175.26 172.61 1ip9 n ILE 64 N 7.50 0.08 -1.78 -3.70 -0.00 -0.08 -4.77 119.36 116.60 1ip9 n ILE 64 Ca 0.33 -0.02 0.00 0.00 -0.00 0.00 0.00 62.75 63.06 1ip9 n ILE 64 Cb 0.49 -0.64 0.00 0.00 -0.00 0.00 0.00 39.64 39.49 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 3.66 0.00 -3.64 0.38 5.02 -1.26 -4.53 118.16 117.78 1ip9 n LYS 65 Ca 0.26 -0.46 -0.16 0.00 -2.02 0.00 0.00 58.31 55.93 1ip9 n LYS 65 Cb 0.06 -0.28 -0.07 0.00 -0.02 0.00 0.00 35.03 34.71 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 0.03 0.64 -0.18 -4.23 -1.26 -5.00 115.64 105.64 1ip9 s THR 66 Ca 0.00 -0.24 0.21 0.00 -1.18 0.00 0.00 61.69 60.48 1ip9 s THR 66 Cb 0.00 -0.80 0.25 0.00 1.34 0.00 0.00 72.50 73.28 1ip9 s THR 66 CO 0.00 -0.13 1.59 0.44 -0.54 0.00 0.00 174.62 175.97 1ip9 h ASP 67 N 3.44 0.00 0.17 3.99 3.32 -1.93 0.34 116.42 125.74 1ip9 h ASP 67 Ca -0.28 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.55 1ip9 h ASP 67 Cb 1.16 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.73 1ip9 h ASP 67 CO 0.40 0.00 -0.96 -1.28 -1.72 0.00 0.00 179.24 175.67 1ip9 h SER 68 N 0.00 0.56 -0.62 6.45 0.87 -1.94 -1.46 113.55 117.40 1ip9 h SER 68 Ca 0.11 -0.95 -0.00 0.00 -1.23 0.00 0.00 61.79 59.72 1ip9 h SER 68 Cb 1.43 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 63.17 1ip9 h SER 68 CO -0.00 1.47 0.38 1.56 -0.53 0.00 0.00 176.83 179.70 1ip9 h GLN 69 N -0.25 0.85 -0.01 2.24 4.20 -0.72 0.25 115.11 121.67 1ip9 h GLN 69 Ca -0.17 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.42 1ip9 h GLN 69 Cb 1.76 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.36 1ip9 h GLN 69 CO 0.18 0.60 -0.19 0.28 -0.67 0.00 0.00 178.83 179.03 1ip9 h VAL 70 N 0.87 1.55 0.00 -0.54 2.07 -1.49 -1.15 116.25 117.55 1ip9 h VAL 70 Ca 0.23 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.87 1ip9 h VAL 70 Cb -0.03 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1ip9 h VAL 70 CO -0.04 0.51 0.00 -1.20 0.02 0.00 0.00 177.57 176.86 1ip9 n SER 71 N -4.56 0.54 -0.06 0.57 7.64 -0.55 -0.26 113.62 116.95 1ip9 n SER 71 Ca -0.09 0.70 -0.19 0.00 1.01 0.00 0.00 58.87 60.30 1ip9 n SER 71 Cb 0.47 -0.79 -0.13 0.00 -1.01 0.00 0.00 64.21 62.75 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 0.11 0.08 6.43 -0.73 -0.32 -1.30 115.58 119.85 1ip9 h ASN 72 Ca 0.00 -0.79 0.00 0.00 1.87 0.00 0.00 56.30 57.38 1ip9 h ASN 72 Cb 0.15 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.70 1ip9 h ASN 72 CO 0.00 1.33 0.00 0.40 -0.37 0.00 0.00 177.43 178.79 1ip9 h ILE 73 N -0.81 0.00 0.03 2.57 5.03 -0.29 0.24 117.51 124.28 1ip9 h ILE 73 Ca -0.20 -0.04 -0.00 0.00 -0.12 0.00 0.00 64.86 64.50 1ip9 h ILE 73 Cb 1.31 1.00 0.00 0.00 -3.03 0.00 0.00 36.82 36.11 1ip9 h ILE 73 CO -0.05 0.00 -0.01 0.40 -0.68 0.00 0.00 178.15 177.80 1ip9 h ILE 74 N 0.00 1.17 0.00 -0.67 2.04 -0.57 0.59 117.51 120.08 1ip9 h ILE 74 Ca 0.00 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.11 1ip9 h ILE 74 Cb 0.04 2.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1ip9 h ILE 74 CO 0.00 0.38 0.00 0.00 0.00 0.00 0.00 178.15 178.53 1ip9 n GLN 75 N -4.72 0.02 0.00 2.37 1.13 -0.50 -2.97 117.38 112.71 1ip9 n GLN 75 Ca -0.07 0.13 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 1ip9 n GLN 75 Cb 0.31 -1.53 0.00 0.00 0.11 0.00 0.00 30.24 29.13 1ip9 n GLN 75 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ip9 n ALA 76 N -1.53 2.36 -3.37 -1.58 0.00 0.77 -4.88 120.51 112.29 1ip9 n ALA 76 Ca 0.05 -0.39 -0.31 0.00 0.00 0.00 0.00 53.44 52.79 1ip9 n ALA 76 Cb 0.27 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.20 -2.02 -4.34 0.00 4.81 0.20 -4.94 118.16 111.67 1ip9 n LYS 77 Ca 0.00 1.57 -0.35 0.00 -0.87 0.00 0.00 58.31 58.66 1ip9 n LYS 77 Cb 0.00 -2.92 -0.09 0.00 0.02 0.00 0.00 35.03 32.04 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 -2.60 3.64 0.12 3.14 2.01 -0.63 -5.01 118.68 119.35 1ip9 s LEU 78 Ca 0.34 0.16 -0.31 0.00 0.01 0.00 0.00 54.13 54.34 1ip9 s LEU 78 Cb -0.05 -1.84 -0.07 0.00 0.01 0.00 0.00 46.19 44.24 1ip9 s LEU 78 CO 0.85 0.38 1.32 -0.54 1.01 0.00 0.00 176.35 179.38 1ip9 s LYS 79 N -0.91 4.36 0.06 1.70 1.02 -1.26 -4.48 119.74 120.24 1ip9 s LYS 79 Ca 0.14 1.99 0.01 0.00 0.02 0.00 0.00 55.97 58.12 1ip9 s LYS 79 Cb -0.11 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 33.89 1ip9 s LYS 79 CO 0.03 -0.35 0.16 0.42 -0.92 0.00 0.00 175.35 174.69 1ip9 s ILE 80 N 0.90 5.10 -0.02 2.17 -1.09 -0.19 0.33 121.20 128.39 1ip9 s ILE 80 Ca 0.61 -0.51 0.03 0.00 -2.23 0.00 0.00 60.65 58.56 1ip9 s ILE 80 Cb -0.35 -3.47 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 1ip9 s ILE 80 CO 0.31 0.14 -0.11 -0.44 -1.23 0.00 0.00 174.94 173.62 1ip9 s SER 81 N -2.44 4.32 -0.08 3.58 0.01 -0.37 0.26 113.70 118.97 1ip9 s SER 81 Ca 0.33 -0.17 0.03 0.00 1.31 0.00 0.00 55.95 57.44 1ip9 s SER 81 Cb -0.13 -0.96 0.01 0.00 0.21 0.00 0.00 66.02 65.15 1ip9 s SER 81 CO 0.26 0.32 -0.16 -0.69 0.41 0.00 0.00 173.24 173.37 1ip9 s VAL 82 N -0.86 1.46 0.28 3.43 1.01 -0.74 -1.54 120.40 123.45 1ip9 s VAL 82 Ca 0.14 -0.66 0.11 0.00 0.00 0.00 0.00 61.98 61.56 1ip9 s VAL 82 Cb -0.11 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 1ip9 s VAL 82 CO 0.04 0.43 -0.11 -1.00 0.00 0.00 0.00 175.10 174.45 1ip9 s HIS 83 N 0.63 2.45 -0.00 5.22 3.76 -0.54 -2.48 115.29 124.33 1ip9 s HIS 83 Ca -0.15 -0.31 -0.16 0.00 -0.15 0.00 0.00 55.06 54.30 1ip9 s HIS 83 Cb -0.16 -1.11 -0.06 0.00 1.11 0.00 0.00 32.58 32.36 1ip9 s HIS 83 CO 0.04 0.66 0.45 -0.51 -0.85 0.00 0.00 174.74 174.53 1ip9 s ASP 84 N -3.58 6.84 0.00 1.40 1.01 -1.26 -1.45 116.67 119.62 1ip9 s ASP 84 Ca 0.31 1.00 0.00 0.00 0.71 0.00 0.00 52.55 54.56 1ip9 s ASP 84 Cb -0.05 -2.28 0.00 0.00 1.01 0.00 0.00 42.92 41.61 1ip9 s ASP 84 CO 0.17 0.27 0.00 2.30 0.21 0.00 0.00 175.17 178.12