#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 0.08 0.48 4.61 0.00 -1.26 -4.98 121.76 120.69 1ip9 s ALA 2 Ca 0.00 -0.91 -0.19 0.00 0.00 0.00 0.00 51.96 50.86 1ip9 s ALA 2 Cb 0.00 -2.90 -0.09 0.00 0.00 0.00 0.00 23.12 20.13 1ip9 s ALA 2 CO 0.00 -4.00 0.99 0.00 0.00 0.00 0.00 175.76 172.74 1ip9 s MET 3 N -5.29 3.97 0.00 0.00 0.00 -1.26 -5.06 119.30 111.65 1ip9 s MET 3 Ca 0.70 1.13 0.00 0.00 0.00 0.00 0.00 55.69 57.52 1ip9 s MET 3 Cb -0.11 -2.13 0.00 0.00 0.00 0.00 0.00 34.83 32.59 1ip9 s MET 3 CO 0.57 -0.26 0.00 0.41 0.00 0.00 0.00 175.02 175.74 1ip9 n GLY 4 N -0.86 3.44 0.20 3.16 0.00 -1.26 -5.16 105.19 104.70 1ip9 n GLY 4 Ca 0.08 -1.56 -0.02 0.00 0.00 0.00 0.00 46.02 44.52 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 1.53 -3.43 1.61 7.64 -1.26 -5.13 113.62 114.58 1ip9 n SER 5 Ca 0.00 -1.12 -0.22 0.00 1.01 0.00 0.00 58.87 58.54 1ip9 n SER 5 Cb 0.00 0.04 0.21 0.00 -1.01 0.00 0.00 64.21 63.45 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 -1.51 -3.51 0.00 6.43 7.64 -1.26 -4.94 113.62 116.48 1ip9 n SER 6 Ca -0.01 -0.60 0.00 0.00 1.01 0.00 0.00 58.87 59.27 1ip9 n SER 6 Cb 0.04 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 1ip9 n SER 6 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1ip9 n THR 7 N -5.01 0.00 0.00 0.44 -1.04 -1.26 -5.07 114.28 102.35 1ip9 n THR 7 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1ip9 n THR 7 Cb 0.44 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 1ip9 n THR 7 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1ip9 n SER 8 N -0.27 0.00 -1.31 8.00 2.88 -1.26 -4.94 113.62 116.72 1ip9 n SER 8 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ip9 n SER 8 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ip9 n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ip9 n GLY 9 N 0.00 -4.38 0.00 0.46 0.00 -1.26 -5.06 105.19 94.95 1ip9 n GLY 9 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1ip9 n GLY 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ip9 n LEU 10 N -0.66 0.00 0.00 0.99 4.77 -1.26 -5.17 117.00 115.67 1ip9 n LEU 10 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 1ip9 n LEU 10 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1ip9 n LEU 10 CO 0.00 0.00 -0.14 0.29 -1.33 0.00 0.00 177.39 176.21 1ip9 n LYS 11 N 0.00 0.64 -3.76 3.23 4.76 -1.26 -5.09 118.16 116.67 1ip9 n LYS 11 Ca 0.00 -2.94 -0.37 0.00 -2.87 0.00 0.00 58.31 52.13 1ip9 n LYS 11 Cb 0.00 1.58 -0.06 0.00 -1.84 0.00 0.00 35.03 34.71 1ip9 n LYS 11 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1ip9 s THR 12 N -2.85 5.36 -0.14 -0.18 -4.23 -1.26 -4.36 115.64 107.99 1ip9 s THR 12 Ca 0.17 0.40 -0.15 0.00 -1.18 0.00 0.00 61.69 60.94 1ip9 s THR 12 Cb 0.01 -3.50 -0.05 0.00 1.34 0.00 0.00 72.50 70.31 1ip9 s THR 12 CO 0.12 0.60 0.34 -0.89 -0.54 0.00 0.00 174.62 174.26 1ip9 s THR 13 N -1.02 5.26 -0.36 3.99 2.01 -0.48 -4.77 115.64 120.27 1ip9 s THR 13 Ca 0.18 0.65 -0.24 0.00 0.31 0.00 0.00 61.69 62.59 1ip9 s THR 13 Cb -0.13 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 68.71 1ip9 s THR 13 CO 0.07 0.40 0.82 -0.75 -0.69 0.00 0.00 174.62 174.46 1ip9 s LYS 14 N 0.32 3.81 -0.01 4.92 2.20 -1.26 -2.42 119.74 127.30 1ip9 s LYS 14 Ca 0.19 0.42 0.02 0.00 -0.36 0.00 0.00 55.97 56.24 1ip9 s LYS 14 Cb -0.14 -3.79 -0.00 0.00 -1.51 0.00 0.00 37.83 32.39 1ip9 s LYS 14 CO 0.06 -0.84 -0.06 0.42 -0.36 0.00 0.00 175.35 174.56 1ip9 s ILE 15 N 3.16 0.51 -0.19 5.43 1.01 -0.89 -4.83 121.20 125.40 1ip9 s ILE 15 Ca 0.33 -0.25 -0.05 0.00 0.00 0.00 0.00 60.65 60.68 1ip9 s ILE 15 Cb -0.13 -0.45 -0.02 0.00 0.01 0.00 0.00 42.46 41.86 1ip9 s ILE 15 CO 0.17 0.16 -0.01 -0.75 0.00 0.00 0.00 174.94 174.50 1ip9 s LYS 16 N 0.02 3.62 0.60 2.79 2.20 -1.26 -0.75 119.74 126.97 1ip9 s LYS 16 Ca 0.00 -0.53 -0.08 0.00 -0.36 0.00 0.00 55.97 55.00 1ip9 s LYS 16 Cb -0.05 -3.05 -0.01 0.00 -1.51 0.00 0.00 37.83 33.22 1ip9 s LYS 16 CO -0.00 0.04 0.96 -0.06 -0.36 0.00 0.00 175.35 175.93 1ip9 s PHE 17 N 0.91 3.41 -0.53 4.03 0.40 0.24 -0.77 117.98 125.66 1ip9 s PHE 17 Ca 0.01 0.91 0.06 0.00 -0.60 0.00 0.00 56.93 57.31 1ip9 s PHE 17 Cb -0.14 -2.73 0.22 0.00 0.51 0.00 0.00 43.02 40.87 1ip9 s PHE 17 CO 0.02 -0.78 0.55 0.66 0.70 0.00 0.00 175.22 176.37 1ip9 n TYR 18 N -2.66 1.43 -1.97 0.36 4.02 0.53 -2.54 117.16 116.33 1ip9 n TYR 18 Ca 0.05 -3.83 -0.26 0.00 -0.01 0.00 0.00 57.90 53.84 1ip9 n TYR 18 Cb 0.56 -0.35 -0.05 0.00 -0.02 0.00 0.00 39.34 39.48 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 1.68 0.00 -0.72 5.04 -0.14 -1.43 117.35 120.37 1ip9 s TYR 19 Ca 0.34 0.86 0.00 0.00 -2.44 0.00 0.00 57.07 55.84 1ip9 s TYR 19 Cb 0.10 -3.95 0.00 0.00 0.35 0.00 0.00 41.96 38.46 1ip9 s TYR 19 CO -0.11 -1.77 0.00 1.63 -1.34 0.00 0.00 175.55 173.96 1ip9 n LYS 20 N 8.88 0.00 0.03 4.97 5.02 -0.89 -1.03 118.16 135.13 1ip9 n LYS 20 Ca 0.40 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.81 1ip9 n LYS 20 Cb 0.47 0.00 0.52 0.00 -0.02 0.00 0.00 35.03 36.00 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 2.33 0.19 -4.86 4.39 9.92 -1.26 -4.76 116.55 122.50 1ip9 n ASP 21 Ca 0.00 0.52 -0.32 0.00 -0.53 0.00 0.00 54.79 54.47 1ip9 n ASP 21 Cb 0.00 -0.57 -0.05 0.00 -0.64 0.00 0.00 41.12 39.85 1ip9 n ASP 21 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1ip9 s ASP 22 N -3.36 6.68 -0.00 -2.24 1.11 -0.20 -5.08 116.67 113.57 1ip9 s ASP 22 Ca 0.12 1.19 -0.10 0.00 0.18 0.00 0.00 52.55 53.94 1ip9 s ASP 22 Cb 0.16 -2.34 0.01 0.00 1.07 0.00 0.00 42.92 41.82 1ip9 s ASP 22 CO 0.49 -0.24 0.20 -0.63 1.18 0.00 0.00 175.17 176.17 1ip9 s ILE 23 N -2.07 0.07 0.05 0.77 1.01 -1.26 -0.97 121.20 118.80 1ip9 s ILE 23 Ca 0.52 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.57 1ip9 s ILE 23 Cb -0.10 -0.50 -0.00 0.00 0.01 0.00 0.00 42.46 41.87 1ip9 s ILE 23 CO 0.22 -0.33 0.05 2.22 0.00 0.00 0.00 174.94 177.09 1ip9 n PHE 24 N 1.40 -0.31 -4.03 3.97 -1.74 -1.05 -4.96 117.46 110.73 1ip9 n PHE 24 Ca -0.22 -0.35 -0.09 0.00 -0.56 0.00 0.00 57.45 56.23 1ip9 n PHE 24 Cb 0.56 0.05 -0.09 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 -1.98 0.35 -0.03 1.98 0.00 -1.26 -0.60 121.76 120.23 1ip9 s ALA 25 Ca 0.05 -1.10 -0.09 0.00 0.00 0.00 0.00 51.96 50.82 1ip9 s ALA 25 Cb 0.00 0.68 0.01 0.00 0.00 0.00 0.00 23.12 23.81 1ip9 s ALA 25 CO 0.03 -0.51 0.20 -1.17 0.00 0.00 0.00 175.76 174.31 1ip9 s LEU 26 N -2.97 1.30 -0.34 0.00 2.96 0.07 -4.92 118.68 114.78 1ip9 s LEU 26 Ca 0.15 0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 54.08 1ip9 s LEU 26 Cb 0.06 0.82 0.07 0.00 0.50 0.00 0.00 46.19 47.64 1ip9 s LEU 26 CO -0.03 -0.30 0.09 -0.04 -1.32 0.00 0.00 176.35 174.75 1ip9 s MET 27 N -0.93 2.31 -0.39 1.98 -1.94 -1.25 -2.10 119.30 116.97 1ip9 s MET 27 Ca -0.10 -1.44 -0.22 0.00 -1.71 0.00 0.00 55.69 52.21 1ip9 s MET 27 Cb -0.05 -3.37 0.01 0.00 2.01 0.00 0.00 34.83 33.43 1ip9 s MET 27 CO 0.02 -0.79 0.74 -0.51 -0.01 0.00 0.00 175.02 174.47 1ip9 s LEU 28 N 1.24 4.22 0.12 -0.03 1.02 -1.01 -4.70 118.68 119.52 1ip9 s LEU 28 Ca 0.00 0.13 0.24 0.00 0.02 0.00 0.00 54.13 54.53 1ip9 s LEU 28 Cb -0.21 -2.93 0.94 0.00 0.02 0.00 0.00 46.19 44.01 1ip9 s LEU 28 CO -0.01 -0.75 1.75 1.17 0.02 0.00 0.00 176.35 178.53 1ip9 n LYS 29 N 6.40 0.12 0.00 1.70 4.81 -1.26 -1.39 118.16 128.54 1ip9 n LYS 29 Ca 0.01 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 1ip9 n LYS 29 Cb 0.48 -1.67 0.00 0.00 0.02 0.00 0.00 35.03 33.86 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 0.86 3.69 0.29 3.14 0.00 -1.26 -4.50 105.19 107.41 1ip9 n GLY 30 Ca 0.05 -0.92 0.18 0.00 0.00 0.00 0.00 46.02 45.32 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 0.90 0.00 -2.59 1.61 2.03 -1.97 -3.44 116.42 112.95 1ip9 h ASP 31 Ca 0.00 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.71 1ip9 h ASP 31 Cb 0.00 0.00 0.17 0.00 -0.83 0.00 0.00 39.33 38.67 1ip9 h ASP 31 CO 0.00 0.04 -0.58 0.41 -1.03 0.00 0.00 179.24 178.08 1ip9 n THR 32 N -3.25 1.60 -4.15 1.15 -1.04 -1.26 -4.99 114.28 102.34 1ip9 n THR 32 Ca -0.01 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.05 61.42 1ip9 n THR 32 Cb 0.22 -0.48 -0.02 0.00 -1.82 0.00 0.00 70.33 68.22 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 -1.47 0.00 0.09 12.58 -2.24 -1.26 -4.81 114.28 117.16 1ip9 n THR 33 Ca 0.11 -0.69 -0.19 0.00 -2.27 0.00 0.00 64.05 61.01 1ip9 n THR 33 Cb 0.46 0.24 -0.15 0.00 -2.10 0.00 0.00 70.33 68.78 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 1.19 0.62 -0.01 4.78 3.20 -1.82 -1.61 116.97 123.32 1ip9 h TYR 34 Ca -0.09 -0.45 -0.16 0.00 3.14 0.00 0.00 58.73 61.17 1ip9 h TYR 34 Cb 0.35 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1ip9 h TYR 34 CO 0.00 1.46 -0.74 0.87 -1.64 0.00 0.00 178.16 178.11 1ip9 h LYS 35 N 0.09 0.05 0.43 1.82 1.57 -1.96 -1.20 116.57 117.38 1ip9 h LYS 35 Ca -0.25 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.46 1ip9 h LYS 35 Cb 2.06 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.38 1ip9 h LYS 35 CO 0.19 0.77 -0.21 1.49 -0.57 0.00 0.00 179.45 181.12 1ip9 h GLU 36 N 0.03 -0.56 -1.14 3.15 4.57 -1.95 -2.38 114.58 116.31 1ip9 h GLU 36 Ca -0.01 0.04 0.36 0.00 -1.18 0.00 0.00 59.36 58.57 1ip9 h GLU 36 Cb 1.30 0.13 -0.13 0.00 -0.16 0.00 0.00 28.75 29.89 1ip9 h GLU 36 CO 0.10 -0.37 0.70 1.25 -1.18 0.00 0.00 179.01 179.51 1ip9 h LEU 37 N -0.86 0.38 0.21 1.64 7.12 -1.33 -0.72 115.31 121.75 1ip9 h LEU 37 Ca -0.06 0.15 -0.01 0.00 0.13 0.00 0.00 57.88 58.10 1ip9 h LEU 37 Cb 0.45 0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.69 1ip9 h LEU 37 CO 0.10 -0.13 -0.19 0.03 -0.13 0.00 0.00 178.44 178.12 1ip9 h ARG 38 N 0.22 -0.38 -0.55 1.25 3.08 -0.92 -1.29 114.38 115.80 1ip9 h ARG 38 Ca 0.75 0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.92 1ip9 h ARG 38 Cb 2.04 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 32.14 1ip9 h ARG 38 CO -0.48 -0.25 0.37 0.66 -1.07 0.00 0.00 179.97 179.20 1ip9 h SER 39 N -0.39 0.32 -0.03 7.04 4.64 -0.67 -0.93 113.55 123.54 1ip9 h SER 39 Ca -0.03 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.22 1ip9 h SER 39 Cb 0.33 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1ip9 h SER 39 CO -0.01 0.19 -0.19 0.11 -0.87 0.00 0.00 176.83 176.07 1ip9 h LYS 40 N 0.35 0.39 0.14 4.77 1.57 -0.92 -3.15 116.57 119.72 1ip9 h LYS 40 Ca 0.25 -0.12 -0.33 0.00 -1.87 0.00 0.00 60.65 58.58 1ip9 h LYS 40 Cb 0.52 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1ip9 h LYS 40 CO -0.06 0.57 -1.66 0.82 -0.57 0.00 0.00 179.45 178.55 1ip9 h ILE 41 N 0.35 1.02 -0.95 1.86 2.04 -0.03 -3.33 117.51 118.47 1ip9 h ILE 41 Ca 0.06 -2.65 0.16 0.00 1.00 0.00 0.00 64.86 63.43 1ip9 h ILE 41 Cb 0.54 2.73 -0.16 0.00 -0.74 0.00 0.00 36.82 39.19 1ip9 h ILE 41 CO 0.04 0.82 -0.32 0.00 0.00 0.00 0.00 178.15 178.68 1ip9 n ALA 42 N -2.76 0.00 0.08 1.87 0.00 -0.49 0.85 120.51 120.06 1ip9 n ALA 42 Ca -0.21 0.98 -0.04 0.00 0.00 0.00 0.00 53.44 54.17 1ip9 n ALA 42 Cb 1.06 -0.49 0.15 0.00 0.00 0.00 0.00 19.45 20.16 1ip9 n ALA 42 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ip9 h PRO 43 N 0.00 0.26 0.00 0.00 0.13 -1.73 -1.13 132.00 129.53 1ip9 h PRO 43 Ca 0.37 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1ip9 h PRO 43 Cb 0.61 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1ip9 h PRO 43 CO -0.96 0.73 0.00 0.54 -0.23 0.00 0.00 178.00 178.09 1ip9 n ARG 44 N -3.93 0.78 -0.07 0.86 5.12 0.25 -3.22 116.66 116.45 1ip9 n ARG 44 Ca -0.02 0.01 -0.08 0.00 -1.93 0.00 0.00 57.85 55.82 1ip9 n ARG 44 Cb 0.57 -1.50 -0.11 0.00 -1.16 0.00 0.00 32.46 30.27 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 -1.09 0.98 -0.45 0.55 5.41 0.17 -4.99 119.36 119.94 1ip9 n ILE 45 Ca 0.20 -0.56 0.00 0.00 1.00 0.00 0.00 62.75 63.39 1ip9 n ILE 45 Cb 0.14 -0.73 0.00 0.00 -0.71 0.00 0.00 39.64 38.34 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 -2.62 -1.13 -3.62 4.38 8.00 -0.50 -5.03 116.55 116.02 1ip9 n ASP 46 Ca -0.25 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.11 1ip9 n ASP 46 Cb 0.93 -0.19 -0.07 0.00 -0.02 0.00 0.00 41.12 41.78 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 -2.16 0.00 -0.60 -3.53 -1.32 -1.07 -5.04 115.64 101.92 1ip9 s THR 47 Ca 0.00 -1.80 0.09 0.00 -1.21 0.00 0.00 61.69 58.77 1ip9 s THR 47 Cb 0.00 -2.51 -0.06 0.00 -1.51 0.00 0.00 72.50 68.42 1ip9 s THR 47 CO 0.00 0.00 0.48 0.47 -2.21 0.00 0.00 174.62 173.36 1ip9 n ASP 48 N -1.02 0.72 -4.06 8.08 8.00 -1.26 -4.35 116.55 122.65 1ip9 n ASP 48 Ca 0.03 -0.86 -0.32 0.00 0.71 0.00 0.00 54.79 54.35 1ip9 n ASP 48 Cb 0.63 0.80 -0.15 0.00 -0.02 0.00 0.00 41.12 42.38 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 -1.66 4.17 0.05 -2.24 -0.87 -1.26 -4.98 114.94 108.15 1ip9 s ASN 49 Ca 0.05 -1.26 -0.10 0.00 -1.57 0.00 0.00 52.86 49.99 1ip9 s ASN 49 Cb 0.07 -1.48 0.00 0.00 -0.02 0.00 0.00 41.25 39.82 1ip9 s ASN 49 CO 0.33 -0.17 0.20 0.72 -2.57 0.00 0.00 177.10 175.61 1ip9 s PHE 50 N 1.17 0.07 -0.15 2.20 -0.71 -1.26 -1.46 117.98 117.84 1ip9 s PHE 50 Ca -0.07 -0.34 -0.05 0.00 -1.04 0.00 0.00 56.93 55.44 1ip9 s PHE 50 Cb -0.19 -0.02 -0.03 0.00 -1.21 0.00 0.00 43.02 41.56 1ip9 s PHE 50 CO -0.06 -0.47 0.01 0.15 -1.34 0.00 0.00 175.22 173.51 1ip9 s LYS 51 N -2.93 3.62 -0.14 1.99 1.02 -0.44 -4.86 119.74 118.00 1ip9 s LYS 51 Ca -0.02 -0.42 -0.02 0.00 0.02 0.00 0.00 55.97 55.53 1ip9 s LYS 51 Cb 0.01 -3.00 -0.02 0.00 -0.52 0.00 0.00 37.83 34.30 1ip9 s LYS 51 CO -0.06 0.37 -0.09 -0.51 -0.92 0.00 0.00 175.35 174.15 1ip9 s LEU 52 N 0.04 2.95 0.30 3.17 1.43 -1.26 -1.42 118.68 123.89 1ip9 s LEU 52 Ca 0.03 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1ip9 s LEU 52 Cb -0.13 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 1ip9 s LEU 52 CO 0.02 0.16 0.11 -1.10 0.23 0.00 0.00 176.35 175.77 1ip9 s GLN 53 N 0.40 1.57 -1.08 1.70 1.11 -0.71 -1.22 119.66 121.43 1ip9 s GLN 53 Ca -0.07 -1.89 -0.19 0.00 0.01 0.00 0.00 55.36 53.22 1ip9 s GLN 53 Cb -0.15 -0.37 0.11 0.00 -1.01 0.00 0.00 33.01 31.59 1ip9 s GLN 53 CO 0.04 -0.34 1.39 0.95 0.01 0.00 0.00 175.29 177.34 1ip9 s THR 54 N -3.56 4.47 -0.45 -0.19 -4.23 -0.79 -1.26 115.64 109.63 1ip9 s THR 54 Ca 0.35 -1.65 -0.22 0.00 -1.18 0.00 0.00 61.69 59.00 1ip9 s THR 54 Cb 0.07 -4.96 -0.12 0.00 1.34 0.00 0.00 72.50 68.83 1ip9 s THR 54 CO 0.15 -1.74 1.43 1.17 -0.54 0.00 0.00 174.62 175.09 1ip9 n LYS 55 N 7.31 0.00 0.00 3.99 0.00 0.77 -2.88 118.16 127.36 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 0.48 -0.88 0.00 0.00 0.00 0.00 0.00 35.03 34.63 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 5.33 0.00 0.00 3.14 4.77 -1.26 -4.42 117.00 124.56 1ip9 n LEU 56 Ca 0.36 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1ip9 n LEU 56 Cb -0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ip9 n LEU 56 CO 0.54 0.00 0.00 2.22 -1.33 0.00 0.00 177.39 178.82 1ip9 n PHE 57 N 0.00 0.00 0.06 -1.77 1.16 -1.26 -4.92 117.46 110.73 1ip9 n PHE 57 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.39 1ip9 n PHE 57 Cb 0.00 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 37.73 1ip9 n PHE 57 CO 0.00 0.00 0.00 0.38 -1.87 0.00 0.00 176.76 175.27 1ip9 h ASP 58 N 0.00 0.46 0.00 5.98 2.03 -1.99 -3.48 116.42 119.42 1ip9 h ASP 58 Ca 0.00 -0.68 0.00 0.00 -0.73 0.00 0.00 57.03 55.62 1ip9 h ASP 58 Cb 0.00 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 38.35 1ip9 h ASP 58 CO 0.00 1.57 0.00 0.61 -1.03 0.00 0.00 179.24 180.39 1ip9 n GLY 59 N 1.75 -0.80 3.82 7.15 0.00 -1.26 -5.16 105.19 110.69 1ip9 n GLY 59 Ca -0.20 0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.00 -0.13 0.00 1.61 1.04 -1.26 -4.50 113.70 108.46 1ip9 s SER 60 Ca 0.00 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1ip9 s SER 60 Cb 0.00 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.89 1ip9 s SER 60 CO 0.00 -1.47 0.00 0.61 0.98 0.00 0.00 173.24 173.36 1ip9 n GLY 61 N -0.49 5.53 3.41 7.32 0.00 -1.14 -4.48 105.19 115.35 1ip9 n GLY 61 Ca -0.05 -0.84 -0.52 0.00 0.00 0.00 0.00 46.02 44.61 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 0.86 -1.97 1.61 4.71 -1.26 -4.25 120.64 120.33 1ip9 n GLU 62 Ca 0.00 0.23 -0.41 0.00 -0.01 0.00 0.00 57.16 56.97 1ip9 n GLU 62 Cb 0.00 -2.29 -0.03 0.00 -1.01 0.00 0.00 31.44 28.11 1ip9 n GLU 62 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1ip9 s GLU 63 N 6.30 2.98 0.08 3.49 2.12 -1.26 -1.88 118.70 130.52 1ip9 s GLU 63 Ca 1.12 1.15 -0.34 0.00 0.36 0.00 0.00 54.97 57.26 1ip9 s GLU 63 Cb -0.97 -4.30 -0.14 0.00 0.26 0.00 0.00 34.13 28.99 1ip9 s GLU 63 CO 0.51 -2.29 1.62 -0.89 -0.54 0.00 0.00 175.26 173.68 1ip9 n ILE 64 N 7.40 0.14 -1.70 -3.70 -0.00 -0.36 -4.80 119.36 116.34 1ip9 n ILE 64 Ca 0.23 -0.02 0.00 0.00 -0.00 0.00 0.00 62.75 62.96 1ip9 n ILE 64 Cb 0.49 -1.52 0.00 0.00 -0.00 0.00 0.00 39.64 38.62 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 4.08 0.00 -3.61 0.38 4.76 -1.26 -4.59 118.16 117.92 1ip9 n LYS 65 Ca 0.19 -0.35 -0.15 0.00 -2.87 0.00 0.00 58.31 55.13 1ip9 n LYS 65 Cb 0.27 -0.25 -0.06 0.00 -1.84 0.00 0.00 35.03 33.15 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 0.03 0.63 -0.18 -4.23 -1.26 -4.98 115.64 105.65 1ip9 s THR 66 Ca 0.00 -0.26 0.25 0.00 -1.18 0.00 0.00 61.69 60.51 1ip9 s THR 66 Cb 0.00 -0.89 0.29 0.00 1.34 0.00 0.00 72.50 73.24 1ip9 s THR 66 CO 0.00 -0.14 1.73 0.44 -0.54 0.00 0.00 174.62 176.11 1ip9 h ASP 67 N 3.13 0.00 0.20 3.99 5.19 -1.93 0.40 116.42 127.41 1ip9 h ASP 67 Ca -0.29 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 55.83 1ip9 h ASP 67 Cb 1.18 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.72 1ip9 h ASP 67 CO 0.41 0.00 -1.22 0.28 -3.12 0.00 0.00 179.24 175.58 1ip9 h SER 68 N 0.00 0.73 -0.38 6.45 0.02 -1.97 -1.76 113.55 116.64 1ip9 h SER 68 Ca 0.11 -0.91 -0.03 0.00 -0.84 0.00 0.00 61.79 60.12 1ip9 h SER 68 Cb 1.22 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 1ip9 h SER 68 CO -0.00 1.59 0.16 1.56 -1.14 0.00 0.00 176.83 179.00 1ip9 h GLN 69 N -0.01 0.62 0.02 3.45 1.08 -0.60 0.16 115.11 119.84 1ip9 h GLN 69 Ca -0.21 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 56.90 1ip9 h GLN 69 Cb 1.95 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 29.27 1ip9 h GLN 69 CO 0.23 0.53 -0.01 0.28 -0.95 0.00 0.00 178.83 178.91 1ip9 h VAL 70 N 0.62 1.43 0.00 -0.54 2.07 -1.41 -0.65 116.25 117.77 1ip9 h VAL 70 Ca 0.15 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.12 1ip9 h VAL 70 Cb 0.15 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1ip9 h VAL 70 CO -0.01 0.39 0.00 -1.28 0.02 0.00 0.00 177.57 176.69 1ip9 h SER 71 N -0.72 0.00 0.11 0.57 0.87 -1.09 0.41 113.55 113.70 1ip9 h SER 71 Ca -0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 1ip9 h SER 71 Cb 0.66 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.64 1ip9 h SER 71 CO 0.01 0.00 -0.65 -1.13 -0.53 0.00 0.00 176.83 174.52 1ip9 h ASN 72 N 0.00 0.38 0.50 6.23 -1.24 -0.49 -0.46 115.58 120.51 1ip9 h ASN 72 Ca 0.00 -0.96 0.00 0.00 0.71 0.00 0.00 56.30 56.05 1ip9 h ASN 72 Cb 0.07 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.00 1ip9 h ASN 72 CO 0.00 1.31 0.00 -0.38 -1.29 0.00 0.00 177.43 177.07 1ip9 n ILE 73 N -4.22 0.98 0.06 2.57 -0.00 -0.20 -0.69 119.36 117.85 1ip9 n ILE 73 Ca -0.13 0.34 -0.22 0.00 -0.00 0.00 0.00 62.75 62.74 1ip9 n ILE 73 Cb 0.75 -1.26 -0.15 0.00 -0.00 0.00 0.00 39.64 38.99 1ip9 n ILE 73 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 1ip9 h ILE 74 N 0.00 1.05 0.00 1.39 2.04 -0.01 -0.83 117.51 121.15 1ip9 h ILE 74 Ca 0.00 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.36 1ip9 h ILE 74 Cb 0.25 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 1ip9 h ILE 74 CO 0.00 0.79 -0.40 1.56 0.00 0.00 0.00 178.15 180.10 1ip9 h GLN 75 N -0.07 0.00 -0.16 2.37 1.08 -0.44 -3.27 115.11 114.62 1ip9 h GLN 75 Ca -0.31 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 1ip9 h GLN 75 Cb 1.96 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.39 1ip9 h GLN 75 CO 0.15 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 178.03 1ip9 n ALA 76 N -2.05 2.24 -3.65 3.87 0.00 0.13 -5.03 120.51 116.03 1ip9 n ALA 76 Ca 0.03 -0.92 -0.33 0.00 0.00 0.00 0.00 53.44 52.22 1ip9 n ALA 76 Cb 0.51 -0.28 0.02 0.00 0.00 0.00 0.00 19.45 19.71 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 0.26 -1.76 -3.86 0.00 4.81 -0.41 -4.91 118.16 112.29 1ip9 n LYS 77 Ca 0.07 1.12 -0.35 0.00 -0.87 0.00 0.00 58.31 58.28 1ip9 n LYS 77 Cb 0.31 -2.09 -0.09 0.00 0.02 0.00 0.00 35.03 33.18 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 -3.57 3.98 0.18 3.14 2.01 -0.64 -5.02 118.68 118.76 1ip9 s LEU 78 Ca 0.22 0.13 -0.31 0.00 0.01 0.00 0.00 54.13 54.18 1ip9 s LEU 78 Cb -0.02 -2.02 -0.10 0.00 0.01 0.00 0.00 46.19 44.06 1ip9 s LEU 78 CO 0.89 0.16 1.52 -0.54 1.01 0.00 0.00 176.35 179.39 1ip9 s LYS 79 N 0.47 4.24 0.19 1.70 3.01 -1.26 -4.63 119.74 123.45 1ip9 s LYS 79 Ca 0.05 2.32 -0.00 0.00 -1.01 0.00 0.00 55.97 57.33 1ip9 s LYS 79 Cb -0.12 -3.15 -0.04 0.00 -1.01 0.00 0.00 37.83 33.51 1ip9 s LYS 79 CO -0.00 -0.55 0.37 0.42 0.51 0.00 0.00 175.35 176.11 1ip9 s ILE 80 N 0.84 5.22 -0.10 2.17 -1.09 0.05 0.27 121.20 128.56 1ip9 s ILE 80 Ca 0.67 -0.40 0.03 0.00 -2.23 0.00 0.00 60.65 58.73 1ip9 s ILE 80 Cb -0.43 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 1ip9 s ILE 80 CO 0.34 -0.15 -0.22 -0.55 -1.23 0.00 0.00 174.94 173.13 1ip9 s SER 81 N -3.15 2.94 -0.09 3.58 0.15 -0.39 0.20 113.70 116.95 1ip9 s SER 81 Ca 0.38 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.49 1ip9 s SER 81 Cb -0.11 -1.35 -0.03 0.00 -1.71 0.00 0.00 66.02 62.82 1ip9 s SER 81 CO 0.29 0.13 -0.07 -0.69 1.20 0.00 0.00 173.24 174.10 1ip9 s VAL 82 N 0.48 3.70 0.24 4.45 1.01 -0.51 -1.73 120.40 128.05 1ip9 s VAL 82 Ca -0.16 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 61.43 1ip9 s VAL 82 Cb -0.17 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1ip9 s VAL 82 CO 0.06 0.58 -0.12 -1.00 0.00 0.00 0.00 175.10 174.62 1ip9 s HIS 83 N -0.55 1.85 -0.03 5.22 3.76 -0.51 -2.09 115.29 122.94 1ip9 s HIS 83 Ca 0.08 -0.60 -0.12 0.00 -0.15 0.00 0.00 55.06 54.27 1ip9 s HIS 83 Cb -0.12 -0.93 -0.05 0.00 1.11 0.00 0.00 32.58 32.59 1ip9 s HIS 83 CO 0.02 0.36 0.33 -0.51 -0.85 0.00 0.00 174.74 174.09 1ip9 s ASP 84 N -3.38 6.68 0.00 1.40 1.01 -1.26 -1.32 116.67 119.80 1ip9 s ASP 84 Ca 0.26 0.81 0.00 0.00 0.71 0.00 0.00 52.55 54.33 1ip9 s ASP 84 Cb 0.01 -2.19 0.00 0.00 1.01 0.00 0.00 42.92 41.74 1ip9 s ASP 84 CO 0.09 0.34 0.00 2.30 0.21 0.00 0.00 175.17 178.12