#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ip9 n ALA 2 N 0.00 0.00 -1.51 4.61 0.00 -1.26 -5.04 120.51 117.31 1ip9 n ALA 2 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1ip9 n ALA 2 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1ip9 n ALA 2 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ip9 n MET 3 N -0.44 -3.76 -3.94 0.00 2.81 -1.26 -4.89 117.12 105.63 1ip9 n MET 3 Ca 0.00 2.99 -0.31 0.00 -1.81 0.00 0.00 57.70 58.57 1ip9 n MET 3 Cb 0.00 -3.95 -0.04 0.00 -0.71 0.00 0.00 33.22 28.51 1ip9 n MET 3 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1ip9 s GLY 4 N -6.23 2.16 -0.32 3.03 0.00 -1.26 -5.03 107.32 99.67 1ip9 s GLY 4 Ca 0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 44.72 43.84 1ip9 s GLY 4 CO 0.00 -0.85 1.30 -1.26 0.00 0.00 0.00 173.10 172.29 1ip9 n SER 5 N 0.34 -1.21 0.10 1.64 2.88 -1.26 -5.04 113.62 111.06 1ip9 n SER 5 Ca -0.06 -1.74 -0.13 0.00 -1.33 0.00 0.00 58.87 55.62 1ip9 n SER 5 Cb 0.51 0.80 -0.08 0.00 -0.75 0.00 0.00 64.21 64.68 1ip9 n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1ip9 h SER 6 N 2.83 -0.22 -7.08 -3.46 0.87 -2.01 -3.45 113.55 101.03 1ip9 h SER 6 Ca -0.26 -0.25 -0.61 0.00 -1.23 0.00 0.00 61.79 59.43 1ip9 h SER 6 Cb 1.22 0.06 -0.31 0.00 -0.44 0.00 0.00 62.40 62.93 1ip9 h SER 6 CO -0.15 0.16 -0.91 0.41 -0.53 0.00 0.00 176.83 175.80 1ip9 n THR 7 N -5.04 -0.52 -3.30 2.23 -1.04 -1.26 -4.88 114.28 100.47 1ip9 n THR 7 Ca -0.09 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1ip9 n THR 7 Cb 0.24 -0.89 -0.03 0.00 -1.82 0.00 0.00 70.33 67.83 1ip9 n THR 7 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1ip9 s SER 8 N -3.56 -0.99 -0.29 8.00 0.01 -1.26 -5.14 113.70 110.48 1ip9 s SER 8 Ca 0.60 0.89 -0.08 0.00 1.31 0.00 0.00 55.95 58.67 1ip9 s SER 8 Cb -0.35 1.95 0.14 0.00 0.21 0.00 0.00 66.02 67.98 1ip9 s SER 8 CO 1.00 -0.26 0.61 -0.83 0.41 0.00 0.00 173.24 174.17 1ip9 s GLY 9 N 2.79 -0.74 0.00 3.44 0.00 -1.26 -4.98 107.32 106.57 1ip9 s GLY 9 Ca 0.14 2.13 0.00 0.00 0.00 0.00 0.00 44.72 46.99 1ip9 s GLY 9 CO -0.19 3.06 0.00 1.04 0.00 0.00 0.00 173.10 177.01 1ip9 n LEU 10 N 5.44 0.00 0.00 0.66 7.99 -1.26 -4.83 117.00 125.00 1ip9 n LEU 10 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.91 1ip9 n LEU 10 Cb 0.49 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.80 1ip9 n LEU 10 CO -0.02 -0.18 0.00 0.29 -1.51 0.00 0.00 177.39 175.97 1ip9 n LYS 11 N 0.00 -0.66 -2.04 3.23 4.76 -1.26 -4.51 118.16 117.67 1ip9 n LYS 11 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1ip9 n LYS 11 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 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 -0.67 3.63 -0.01 -0.18 -4.23 -1.25 -4.53 115.64 108.40 1ip9 s THR 12 Ca 0.00 0.74 -0.29 0.00 -1.18 0.00 0.00 61.69 60.96 1ip9 s THR 12 Cb 0.00 -3.54 -0.03 0.00 1.34 0.00 0.00 72.50 70.27 1ip9 s THR 12 CO 0.00 -0.13 0.95 -0.89 -0.54 0.00 0.00 174.62 174.02 1ip9 s THR 13 N 4.47 4.89 -0.46 3.99 2.01 -0.46 -4.69 115.64 125.39 1ip9 s THR 13 Ca 0.73 2.00 -0.25 0.00 0.31 0.00 0.00 61.69 64.48 1ip9 s THR 13 Cb -0.30 -4.29 0.03 0.00 0.01 0.00 0.00 72.50 67.94 1ip9 s THR 13 CO 0.29 0.17 0.91 -0.75 -0.69 0.00 0.00 174.62 174.54 1ip9 s LYS 14 N 1.00 3.53 -0.21 4.92 2.20 -1.26 -2.53 119.74 127.39 1ip9 s LYS 14 Ca 0.51 0.14 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 1ip9 s LYS 14 Cb -0.21 -3.92 0.03 0.00 -1.51 0.00 0.00 37.83 32.22 1ip9 s LYS 14 CO 0.27 -1.20 -0.14 0.42 -0.36 0.00 0.00 175.35 174.34 1ip9 s ILE 15 N 3.68 2.39 -0.27 5.43 1.01 -0.73 -4.83 121.20 127.87 1ip9 s ILE 15 Ca 0.36 -1.03 -0.20 0.00 0.00 0.00 0.00 60.65 59.78 1ip9 s ILE 15 Cb -0.10 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 1ip9 s ILE 15 CO 0.26 0.36 0.61 -0.54 0.00 0.00 0.00 174.94 175.62 1ip9 s LYS 16 N 1.28 4.02 0.69 2.79 -0.14 -1.26 -1.13 119.74 125.99 1ip9 s LYS 16 Ca 0.02 0.41 -0.07 0.00 -1.36 0.00 0.00 55.97 54.96 1ip9 s LYS 16 Cb -0.15 -3.68 0.05 0.00 -1.68 0.00 0.00 37.83 32.37 1ip9 s LYS 16 CO -0.09 -0.46 1.01 -0.06 -0.76 0.00 0.00 175.35 174.99 1ip9 s PHE 17 N 2.51 2.98 -0.46 3.18 0.40 -0.38 -0.97 117.98 125.24 1ip9 s PHE 17 Ca 0.25 0.51 0.07 0.00 -0.60 0.00 0.00 56.93 57.16 1ip9 s PHE 17 Cb -0.15 -3.14 0.24 0.00 0.51 0.00 0.00 43.02 40.47 1ip9 s PHE 17 CO 0.10 -1.33 0.54 0.66 0.70 0.00 0.00 175.22 175.89 1ip9 n TYR 18 N -2.90 0.52 -2.08 0.36 4.02 0.51 -3.09 117.16 114.52 1ip9 n TYR 18 Ca 0.07 -3.68 -0.41 0.00 -0.01 0.00 0.00 57.90 53.87 1ip9 n TYR 18 Cb 0.60 -0.32 -0.03 0.00 -0.02 0.00 0.00 39.34 39.57 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 -1.30 1.87 0.00 -0.72 5.04 -0.08 -1.64 117.35 120.52 1ip9 s TYR 19 Ca 0.35 0.68 0.00 0.00 -2.44 0.00 0.00 57.07 55.66 1ip9 s TYR 19 Cb 0.14 -4.15 0.00 0.00 0.35 0.00 0.00 41.96 38.30 1ip9 s TYR 19 CO -0.10 -2.57 0.00 1.63 -1.34 0.00 0.00 175.55 173.17 1ip9 n LYS 20 N 8.62 0.00 0.00 4.97 5.02 -0.99 -0.38 118.16 135.40 1ip9 n LYS 20 Ca 0.21 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.63 1ip9 n LYS 20 Cb 0.49 0.00 0.52 0.00 -0.02 0.00 0.00 35.03 36.02 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 1.06 0.17 -4.89 4.39 9.92 -1.26 -4.83 116.55 121.12 1ip9 n ASP 21 Ca 0.00 0.19 -0.29 0.00 -0.53 0.00 0.00 54.79 54.17 1ip9 n ASP 21 Cb 0.00 -0.25 -0.02 0.00 -0.64 0.00 0.00 41.12 40.21 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 -2.95 6.39 -0.01 -2.24 1.01 0.49 -5.09 116.67 114.27 1ip9 s ASP 22 Ca 0.15 0.99 -0.08 0.00 0.71 0.00 0.00 52.55 54.32 1ip9 s ASP 22 Cb 0.19 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.85 1ip9 s ASP 22 CO 0.57 -0.46 0.15 -0.63 0.21 0.00 0.00 175.17 175.01 1ip9 s ILE 23 N -2.52 0.07 0.00 0.77 1.01 -1.26 -0.91 121.20 118.37 1ip9 s ILE 23 Ca 0.49 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.53 1ip9 s ILE 23 Cb -0.10 -0.43 0.00 0.00 0.01 0.00 0.00 42.46 41.94 1ip9 s ILE 23 CO 0.38 -0.33 0.00 2.22 0.00 0.00 0.00 174.94 177.21 1ip9 n PHE 24 N 1.60 0.00 -3.95 3.97 -1.74 -1.18 -4.94 117.46 111.23 1ip9 n PHE 24 Ca -0.22 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.59 1ip9 n PHE 24 Cb 0.56 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.47 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 -2.00 0.02 -0.01 1.98 0.00 -1.26 -1.25 121.76 119.23 1ip9 s ALA 25 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1ip9 s ALA 25 Cb 0.00 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.42 1ip9 s ALA 25 CO 0.00 -0.35 -0.02 -1.17 0.00 0.00 0.00 175.76 174.21 1ip9 s LEU 26 N -2.36 1.67 -0.37 0.00 1.98 -0.29 -4.93 118.68 114.38 1ip9 s LEU 26 Ca -0.02 -0.05 -0.05 0.00 -2.89 0.00 0.00 54.13 51.12 1ip9 s LEU 26 Cb 0.01 -0.21 0.07 0.00 0.66 0.00 0.00 46.19 46.73 1ip9 s LEU 26 CO -0.06 -0.01 0.15 -0.04 -1.89 0.00 0.00 176.35 174.49 1ip9 s MET 27 N 0.37 2.42 -0.32 1.98 -1.94 -1.26 -1.78 119.30 118.77 1ip9 s MET 27 Ca -0.04 -1.43 -0.19 0.00 -1.71 0.00 0.00 55.69 52.32 1ip9 s MET 27 Cb -0.07 -3.51 -0.01 0.00 2.01 0.00 0.00 34.83 33.25 1ip9 s MET 27 CO -0.01 -0.83 0.54 -0.51 -0.01 0.00 0.00 175.02 174.20 1ip9 s LEU 28 N 1.31 4.21 0.00 -0.03 2.01 -1.05 -4.74 118.68 120.38 1ip9 s LEU 28 Ca 0.01 0.23 0.29 0.00 0.01 0.00 0.00 54.13 54.67 1ip9 s LEU 28 Cb -0.21 -2.66 1.67 0.00 0.01 0.00 0.00 46.19 45.00 1ip9 s LEU 28 CO -0.00 -0.43 2.04 1.17 1.01 0.00 0.00 176.35 180.14 1ip9 n LYS 29 N 5.73 0.83 0.00 1.70 4.81 -1.26 -1.36 118.16 128.62 1ip9 n LYS 29 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1ip9 n LYS 29 Cb 0.49 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.04 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 0.83 1.21 0.00 3.14 0.00 -1.26 -4.62 105.19 104.49 1ip9 n GLY 30 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 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 0.47 -4.22 1.61 5.68 -1.26 -4.88 116.55 113.94 1ip9 n ASP 31 Ca 0.00 -0.19 -0.34 0.00 -0.50 0.00 0.00 54.79 53.76 1ip9 n ASP 31 Cb 0.00 0.20 0.10 0.00 -1.14 0.00 0.00 41.12 40.29 1ip9 n ASP 31 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1ip9 n THR 32 N -1.52 0.00 -4.12 2.12 -1.04 -1.26 -5.01 114.28 103.45 1ip9 n THR 32 Ca 0.06 -0.26 -0.09 0.00 -2.04 0.00 0.00 64.05 61.71 1ip9 n THR 32 Cb 0.34 -0.39 -0.04 0.00 -1.82 0.00 0.00 70.33 68.43 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 -3.58 0.00 0.10 12.58 -2.24 -1.26 -4.81 114.28 115.07 1ip9 n THR 33 Ca 0.02 -1.18 -0.19 0.00 -2.27 0.00 0.00 64.05 60.43 1ip9 n THR 33 Cb 0.60 0.59 -0.15 0.00 -2.10 0.00 0.00 70.33 69.28 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 1.52 0.62 0.00 4.78 3.20 -1.81 -1.99 116.97 123.29 1ip9 h TYR 34 Ca -0.12 -0.45 0.00 0.00 3.14 0.00 0.00 58.73 61.30 1ip9 h TYR 34 Cb 0.59 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1ip9 h TYR 34 CO 0.00 1.40 0.00 0.87 -1.64 0.00 0.00 178.16 178.79 1ip9 h LYS 35 N 0.09 0.00 -0.04 1.82 1.57 -1.96 -1.07 116.57 116.98 1ip9 h LYS 35 Ca -0.20 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 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 0.21 0.00 -0.20 1.49 -0.57 0.00 0.00 179.45 180.38 1ip9 h GLU 36 N 0.00 0.21 -0.37 3.15 4.57 -1.93 -2.51 114.58 117.70 1ip9 h GLU 36 Ca 0.00 -0.17 0.01 0.00 -1.18 0.00 0.00 59.36 58.02 1ip9 h GLU 36 Cb 0.82 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.42 1ip9 h GLU 36 CO 0.00 0.82 0.25 1.25 -1.18 0.00 0.00 179.01 180.15 1ip9 h LEU 37 N -0.36 0.41 0.08 1.64 6.46 -1.18 -0.12 115.31 122.24 1ip9 h LEU 37 Ca -0.01 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1ip9 h LEU 37 Cb 0.86 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 1ip9 h LEU 37 CO 0.04 0.29 -0.04 0.03 -0.62 0.00 0.00 178.44 178.14 1ip9 h ARG 38 N 0.48 -0.11 0.00 1.25 3.08 -0.95 0.15 114.38 118.28 1ip9 h ARG 38 Ca 0.14 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1ip9 h ARG 38 Cb -0.01 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1ip9 h ARG 38 CO -0.03 -0.03 0.00 0.77 -1.07 0.00 0.00 179.97 179.61 1ip9 h SER 39 N -0.15 0.00 1.03 7.04 0.02 -1.00 -1.37 113.55 119.11 1ip9 h SER 39 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1ip9 h SER 39 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1ip9 h SER 39 CO 0.02 0.00 -0.59 0.11 -1.14 0.00 0.00 176.83 175.23 1ip9 h LYS 40 N 0.00 0.00 0.00 3.45 1.57 -0.63 -3.36 116.57 117.60 1ip9 h LYS 40 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 1ip9 h LYS 40 Cb 0.81 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.06 1ip9 h LYS 40 CO 0.00 0.00 -2.20 -0.89 -0.57 0.00 0.00 179.45 175.79 1ip9 n ILE 41 N -2.30 1.21 -0.27 1.86 5.41 0.47 -4.42 119.36 121.33 1ip9 n ILE 41 Ca 0.03 -0.61 0.03 0.00 1.00 0.00 0.00 62.75 63.20 1ip9 n ILE 41 Cb 0.47 -0.88 0.11 0.00 -0.71 0.00 0.00 39.64 38.62 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 0.45 0.57 0.00 -1.39 0.00 -1.40 0.35 119.26 117.85 1ip9 h ALA 42 Ca -0.47 0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1ip9 h ALA 42 Cb 1.91 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 20.25 1ip9 h ALA 42 CO -0.02 -0.42 -0.35 -1.00 0.00 0.00 0.00 179.25 177.47 1ip9 h PRO 43 N 0.02 0.00 -0.01 0.00 0.13 -1.78 -1.32 132.00 129.03 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 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1ip9 h PRO 43 CO -0.77 0.35 -0.12 0.54 -0.23 0.00 0.00 178.00 177.77 1ip9 n ARG 44 N -3.59 1.08 -0.09 0.86 5.12 0.91 -3.82 116.66 117.12 1ip9 n ARG 44 Ca -0.01 -0.54 -0.10 0.00 -1.93 0.00 0.00 57.85 55.27 1ip9 n ARG 44 Cb 0.47 -1.49 -0.12 0.00 -1.16 0.00 0.00 32.46 30.16 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 -0.49 1.15 -0.49 0.55 5.41 0.62 -4.98 119.36 121.13 1ip9 n ILE 45 Ca 0.16 -0.63 0.00 0.00 1.00 0.00 0.00 62.75 63.28 1ip9 n ILE 45 Cb 0.31 -0.76 0.00 0.00 -0.71 0.00 0.00 39.64 38.49 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 -2.75 -1.37 -3.39 4.38 8.00 -0.57 -5.03 116.55 115.83 1ip9 n ASP 46 Ca -0.30 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.06 1ip9 n ASP 46 Cb 1.00 -0.23 -0.05 0.00 -0.02 0.00 0.00 41.12 41.82 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 -2.07 0.00 -0.68 -3.53 -1.32 -1.15 -5.05 115.64 101.84 1ip9 s THR 47 Ca 0.00 -1.61 0.07 0.00 -1.21 0.00 0.00 61.69 58.95 1ip9 s THR 47 Cb 0.00 -2.58 -0.00 0.00 -1.51 0.00 0.00 72.50 68.41 1ip9 s THR 47 CO 0.00 0.00 0.54 -0.90 -2.21 0.00 0.00 174.62 172.05 1ip9 n ASP 48 N -1.23 1.03 -4.10 8.08 5.75 -1.26 -4.46 116.55 120.36 1ip9 n ASP 48 Ca 0.01 -1.02 -0.33 0.00 -0.01 0.00 0.00 54.79 53.44 1ip9 n ASP 48 Cb 0.62 0.47 -0.15 0.00 -1.03 0.00 0.00 41.12 41.03 1ip9 n ASP 48 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1ip9 s ASN 49 N -1.12 4.20 0.00 -1.12 -0.87 -1.26 -4.99 114.94 109.77 1ip9 s ASN 49 Ca 0.06 -1.18 -0.17 0.00 -1.57 0.00 0.00 52.86 49.99 1ip9 s ASN 49 Cb 0.06 -1.56 0.03 0.00 -0.02 0.00 0.00 41.25 39.76 1ip9 s ASN 49 CO 0.19 -0.15 0.38 0.72 -2.57 0.00 0.00 177.10 175.67 1ip9 s PHE 50 N 1.17 -0.25 -0.19 2.20 -0.71 -1.26 -1.67 117.98 117.28 1ip9 s PHE 50 Ca -0.05 0.32 -0.07 0.00 -1.04 0.00 0.00 56.93 56.08 1ip9 s PHE 50 Cb -0.18 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.75 1ip9 s PHE 50 CO -0.06 -0.48 0.06 0.15 -1.34 0.00 0.00 175.22 173.55 1ip9 s LYS 51 N -1.78 3.92 -0.17 1.99 1.02 -0.46 -4.85 119.74 119.41 1ip9 s LYS 51 Ca -0.10 -0.37 -0.05 0.00 0.02 0.00 0.00 55.97 55.48 1ip9 s LYS 51 Cb -0.03 -3.23 -0.03 0.00 -0.52 0.00 0.00 37.83 34.02 1ip9 s LYS 51 CO 0.02 0.20 -0.00 -0.51 -0.92 0.00 0.00 175.35 174.14 1ip9 s LEU 52 N 0.57 3.41 0.31 3.17 1.43 -1.26 -1.44 118.68 124.88 1ip9 s LEU 52 Ca 0.03 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 1ip9 s LEU 52 Cb -0.13 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 1ip9 s LEU 52 CO 0.01 0.15 0.10 -1.10 0.23 0.00 0.00 176.35 175.75 1ip9 s GLN 53 N 0.47 1.60 -1.16 1.70 1.11 -0.73 -0.40 119.66 122.24 1ip9 s GLN 53 Ca -0.01 -1.90 -0.20 0.00 0.01 0.00 0.00 55.36 53.26 1ip9 s GLN 53 Cb -0.14 -0.47 0.08 0.00 -1.01 0.00 0.00 33.01 31.47 1ip9 s GLN 53 CO 0.02 -0.32 1.55 0.95 0.01 0.00 0.00 175.29 177.51 1ip9 s THR 54 N -3.51 4.17 -0.26 -0.19 -4.23 -1.10 -1.23 115.64 109.30 1ip9 s THR 54 Ca 0.35 -1.51 -0.04 0.00 -1.18 0.00 0.00 61.69 59.30 1ip9 s THR 54 Cb 0.07 -5.09 -0.08 0.00 1.34 0.00 0.00 72.50 68.74 1ip9 s THR 54 CO 0.15 -1.92 0.61 1.17 -0.54 0.00 0.00 174.62 174.09 1ip9 n LYS 55 N 8.20 0.00 -0.41 3.99 0.00 0.79 -3.39 118.16 127.35 1ip9 n LYS 55 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.71 1ip9 n LYS 55 Cb 0.48 -0.31 0.00 0.00 0.00 0.00 0.00 35.03 35.20 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 1.91 0.00 0.04 3.14 4.77 -1.26 -4.61 117.00 120.98 1ip9 n LEU 56 Ca 0.17 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.19 1ip9 n LEU 56 Cb 0.02 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.04 1ip9 n LEU 56 CO 0.27 -0.47 -0.33 2.22 -1.33 0.00 0.00 177.39 177.74 1ip9 n PHE 57 N -1.49 0.78 0.04 -1.77 1.16 -1.26 -4.25 117.46 110.68 1ip9 n PHE 57 Ca 0.00 0.25 -0.20 0.00 -1.87 0.00 0.00 57.45 55.63 1ip9 n PHE 57 Cb 0.00 -0.97 -0.14 0.00 -1.61 0.00 0.00 39.48 36.76 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 3.04 -1.99 -3.48 116.42 120.43 1ip9 h ASP 58 Ca -0.12 -0.95 0.00 0.00 -3.24 0.00 0.00 57.03 52.72 1ip9 h ASP 58 Cb 1.39 -0.15 0.00 0.00 -1.04 0.00 0.00 39.33 39.53 1ip9 h ASP 58 CO 0.03 1.37 0.00 0.61 -2.04 0.00 0.00 179.24 179.21 1ip9 n GLY 59 N 1.64 -0.11 3.39 7.15 0.00 -1.26 -5.15 105.19 110.86 1ip9 n GLY 59 Ca -0.14 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 -0.45 0.00 1.61 1.04 -1.26 -4.39 113.70 110.25 1ip9 s SER 60 Ca 0.00 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1ip9 s SER 60 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1ip9 s SER 60 CO 0.00 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.03 1ip9 n GLY 61 N 0.11 2.68 3.58 7.32 0.00 -1.22 -4.62 105.19 113.04 1ip9 n GLY 61 Ca -0.18 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1ip9 n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ip9 s GLU 62 N 3.98 2.99 -0.74 1.61 2.02 -1.26 -4.56 118.70 122.73 1ip9 s GLU 62 Ca 0.00 1.41 -0.26 0.00 0.02 0.00 0.00 54.97 56.14 1ip9 s GLU 62 Cb 0.00 -4.32 -0.12 0.00 0.10 0.00 0.00 34.13 29.78 1ip9 s GLU 62 CO 0.00 -2.27 2.39 -2.00 0.02 0.00 0.00 175.26 173.39 1ip9 s GLU 63 N 6.43 1.73 -0.35 1.61 2.12 -1.26 -2.73 118.70 126.24 1ip9 s GLU 63 Ca 0.85 0.62 -0.43 0.00 0.36 0.00 0.00 54.97 56.36 1ip9 s GLU 63 Cb -0.22 -4.76 -0.18 0.00 0.26 0.00 0.00 34.13 29.23 1ip9 s GLU 63 CO 0.31 -4.20 1.64 -0.89 -0.54 0.00 0.00 175.26 171.58 1ip9 n ILE 64 N 8.61 0.15 -1.58 -3.70 -0.00 0.46 -4.78 119.36 118.52 1ip9 n ILE 64 Ca 0.45 -0.03 0.00 0.00 -0.00 0.00 0.00 62.75 63.17 1ip9 n ILE 64 Cb 0.45 -0.85 0.00 0.00 -0.00 0.00 0.00 39.64 39.24 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 4.54 0.00 -3.68 0.38 5.02 -1.26 -4.51 118.16 118.65 1ip9 n LYS 65 Ca 0.28 -0.66 -0.15 0.00 -2.02 0.00 0.00 58.31 55.76 1ip9 n LYS 65 Cb 0.05 -0.44 -0.08 0.00 -0.02 0.00 0.00 35.03 34.54 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 0.63 -0.18 -4.23 -1.26 -4.99 115.64 105.63 1ip9 s THR 66 Ca 0.00 -0.23 0.23 0.00 -1.18 0.00 0.00 61.69 60.51 1ip9 s THR 66 Cb 0.00 -0.74 0.29 0.00 1.34 0.00 0.00 72.50 73.39 1ip9 s THR 66 CO 0.00 -0.13 1.57 0.44 -0.54 0.00 0.00 174.62 175.96 1ip9 h ASP 67 N 3.97 0.00 0.16 3.99 5.19 -1.94 0.42 116.42 128.22 1ip9 h ASP 67 Ca -0.28 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 55.91 1ip9 h ASP 67 Cb 1.17 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.70 1ip9 h ASP 67 CO 0.35 0.00 -0.93 -1.28 -3.12 0.00 0.00 179.24 174.26 1ip9 h SER 68 N 0.00 0.54 -0.49 6.45 0.87 -1.96 -1.70 113.55 117.26 1ip9 h SER 68 Ca 0.19 -0.95 0.02 0.00 -1.23 0.00 0.00 61.79 59.82 1ip9 h SER 68 Cb 1.67 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 63.43 1ip9 h SER 68 CO -0.00 1.45 0.32 1.56 -0.53 0.00 0.00 176.83 179.63 1ip9 h GLN 69 N -0.28 0.58 -0.01 2.24 1.08 -0.57 0.99 115.11 119.14 1ip9 h GLN 69 Ca -0.16 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 56.98 1ip9 h GLN 69 Cb 1.74 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 29.04 1ip9 h GLN 69 CO 0.18 0.39 -0.08 0.28 -0.95 0.00 0.00 178.83 178.64 1ip9 h VAL 70 N 0.60 1.53 0.00 -0.54 2.07 -1.43 -1.25 116.25 117.24 1ip9 h VAL 70 Ca 0.19 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1ip9 h VAL 70 Cb 0.02 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1ip9 h VAL 70 CO -0.05 0.45 0.00 0.28 0.02 0.00 0.00 177.57 178.27 1ip9 h SER 71 N -0.59 0.00 0.06 0.57 0.02 -0.81 0.33 113.55 113.14 1ip9 h SER 71 Ca -0.01 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.78 1ip9 h SER 71 Cb 0.78 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 1ip9 h SER 71 CO 0.02 0.00 -0.82 -1.13 -1.14 0.00 0.00 176.83 173.76 1ip9 h ASN 72 N 0.00 0.21 0.24 3.07 -0.73 -0.64 -1.07 115.58 116.66 1ip9 h ASN 72 Ca 0.00 -0.85 0.00 0.00 1.87 0.00 0.00 56.30 57.32 1ip9 h ASN 72 Cb 0.12 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.64 1ip9 h ASN 72 CO 0.00 1.35 0.00 0.40 -0.37 0.00 0.00 177.43 178.81 1ip9 h ILE 73 N -0.67 0.00 0.10 2.57 5.03 -0.05 1.00 117.51 125.49 1ip9 h ILE 73 Ca -0.18 -0.10 -0.16 0.00 -0.12 0.00 0.00 64.86 64.30 1ip9 h ILE 73 Cb 1.41 0.82 0.01 0.00 -3.03 0.00 0.00 36.82 36.03 1ip9 h ILE 73 CO 0.01 0.00 -0.77 0.40 -0.68 0.00 0.00 178.15 177.11 1ip9 h ILE 74 N 0.00 1.46 0.00 -0.67 2.04 -0.27 0.76 117.51 120.83 1ip9 h ILE 74 Ca 0.00 -2.45 0.00 0.00 1.00 0.00 0.00 64.86 63.41 1ip9 h ILE 74 Cb 0.12 3.11 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 1ip9 h ILE 74 CO 0.00 0.67 0.00 1.56 0.00 0.00 0.00 178.15 180.38 1ip9 h GLN 75 N -0.53 0.00 -0.00 2.37 4.20 -0.13 -3.12 115.11 117.90 1ip9 h GLN 75 Ca -0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1ip9 h GLN 75 Cb 1.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.29 1ip9 h GLN 75 CO 0.08 0.00 -0.01 0.00 -0.67 0.00 0.00 178.83 178.23 1ip9 n ALA 76 N -1.85 2.47 -3.46 3.87 0.00 0.24 -5.05 120.51 116.74 1ip9 n ALA 76 Ca 0.04 -0.48 -0.37 0.00 0.00 0.00 0.00 53.44 52.63 1ip9 n ALA 76 Cb 0.38 -0.08 0.04 0.00 0.00 0.00 0.00 19.45 19.79 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 -1.97 -4.00 0.00 4.81 0.26 -4.92 118.16 112.36 1ip9 n LYS 77 Ca 0.01 1.48 -0.36 0.00 -0.87 0.00 0.00 58.31 58.57 1ip9 n LYS 77 Cb 0.05 -2.33 -0.08 0.00 0.02 0.00 0.00 35.03 32.70 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 -2.49 4.06 0.19 3.14 2.01 -0.66 -5.01 118.68 119.92 1ip9 s LEU 78 Ca 0.37 0.28 -0.31 0.00 0.01 0.00 0.00 54.13 54.48 1ip9 s LEU 78 Cb -0.04 -1.99 -0.10 0.00 0.01 0.00 0.00 46.19 44.07 1ip9 s LEU 78 CO 0.87 0.32 1.51 -0.54 1.01 0.00 0.00 176.35 179.52 1ip9 s LYS 79 N -0.51 4.24 0.10 1.70 3.01 -1.26 -4.60 119.74 122.42 1ip9 s LYS 79 Ca 0.11 2.31 0.02 0.00 -1.01 0.00 0.00 55.97 57.39 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 0.02 -0.53 0.21 0.42 0.51 0.00 0.00 175.35 175.98 1ip9 s ILE 80 N 0.76 5.18 -0.08 2.17 -1.09 -0.14 0.28 121.20 128.27 1ip9 s ILE 80 Ca 0.66 -0.58 0.04 0.00 -2.23 0.00 0.00 60.65 58.53 1ip9 s ILE 80 Cb -0.42 -3.57 -0.02 0.00 -1.58 0.00 0.00 42.46 36.87 1ip9 s ILE 80 CO 0.35 0.05 -0.19 -0.44 -1.23 0.00 0.00 174.94 173.49 1ip9 s SER 81 N -2.74 3.58 -0.13 3.58 0.01 -0.36 0.19 113.70 117.83 1ip9 s SER 81 Ca 0.34 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.22 1ip9 s SER 81 Cb -0.12 -1.08 -0.01 0.00 0.21 0.00 0.00 66.02 65.02 1ip9 s SER 81 CO 0.27 0.25 -0.14 -0.69 0.41 0.00 0.00 173.24 173.33 1ip9 s VAL 82 N -0.15 2.94 0.25 3.43 1.01 -0.65 -1.78 120.40 125.45 1ip9 s VAL 82 Ca -0.02 -0.70 0.10 0.00 0.00 0.00 0.00 61.98 61.36 1ip9 s VAL 82 Cb -0.14 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1ip9 s VAL 82 CO 0.04 0.53 -0.09 -1.00 0.00 0.00 0.00 175.10 174.57 1ip9 s HIS 83 N 0.39 2.55 -0.13 5.22 3.76 -0.52 -2.34 115.29 124.22 1ip9 s HIS 83 Ca -0.11 -0.26 -0.14 0.00 -0.15 0.00 0.00 55.06 54.40 1ip9 s HIS 83 Cb -0.16 -1.16 -0.05 0.00 1.11 0.00 0.00 32.58 32.33 1ip9 s HIS 83 CO 0.06 0.62 0.33 -0.51 -0.85 0.00 0.00 174.74 174.39 1ip9 s ASP 84 N -3.40 6.53 0.00 1.40 1.01 -1.26 -1.35 116.67 119.60 1ip9 s ASP 84 Ca 0.29 0.62 0.00 0.00 0.71 0.00 0.00 52.55 54.17 1ip9 s ASP 84 Cb -0.07 -2.20 0.00 0.00 1.01 0.00 0.00 42.92 41.66 1ip9 s ASP 84 CO 0.17 0.13 0.18 2.30 0.21 0.00 0.00 175.17 178.16