#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 1.56 -3.76 4.61 0.00 -1.26 -4.78 120.51 116.89 1ip9 n ALA 2 Ca 0.00 -0.88 -0.33 0.00 0.00 0.00 0.00 53.44 52.23 1ip9 n ALA 2 Cb 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 19.45 19.44 1ip9 n ALA 2 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1ip9 s MET 3 N -2.41 2.85 0.00 0.00 1.00 -1.26 -4.90 119.30 114.59 1ip9 s MET 3 Ca -0.29 -3.21 0.00 0.00 0.00 0.00 0.00 55.69 52.19 1ip9 s MET 3 Cb 0.09 -3.71 0.00 0.00 0.00 0.00 0.00 34.83 31.20 1ip9 s MET 3 CO 0.45 -1.26 0.00 0.41 0.00 0.00 0.00 175.02 174.62 1ip9 n GLY 4 N 2.33 0.12 3.83 -0.03 0.00 -1.26 -5.05 105.19 105.14 1ip9 n GLY 4 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1ip9 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ip9 s SER 5 N 0.37 6.50 -0.08 1.61 1.04 -1.26 -5.06 113.70 116.82 1ip9 s SER 5 Ca 0.00 0.59 -0.30 0.00 0.48 0.00 0.00 55.95 56.72 1ip9 s SER 5 Cb 0.00 -2.14 -0.02 0.00 0.10 0.00 0.00 66.02 63.97 1ip9 s SER 5 CO 0.00 0.32 1.02 -0.44 0.98 0.00 0.00 173.24 175.12 1ip9 s SER 6 N -0.72 7.26 -0.35 7.02 0.01 -1.26 -4.94 113.70 120.72 1ip9 s SER 6 Ca 0.17 1.58 -0.06 0.00 1.31 0.00 0.00 55.95 58.95 1ip9 s SER 6 Cb -0.13 -2.56 0.21 0.00 0.21 0.00 0.00 66.02 63.75 1ip9 s SER 6 CO 0.06 -0.42 1.07 0.28 0.41 0.00 0.00 173.24 174.64 1ip9 s THR 7 N 1.82 -0.25 1.09 1.44 -1.32 -1.26 -5.16 115.64 112.00 1ip9 s THR 7 Ca 0.50 -0.22 -0.18 0.00 -1.21 0.00 0.00 61.69 60.57 1ip9 s THR 7 Cb -0.19 0.00 0.28 0.00 -1.51 0.00 0.00 72.50 71.07 1ip9 s THR 7 CO 0.20 0.00 0.87 -1.20 -2.21 0.00 0.00 174.62 172.28 1ip9 n SER 8 N 2.76 -2.46 -2.18 8.08 7.64 -1.26 -4.39 113.62 121.81 1ip9 n SER 8 Ca 0.11 -0.97 -0.10 0.00 1.01 0.00 0.00 58.87 58.92 1ip9 n SER 8 Cb 0.64 -0.84 0.04 0.00 -1.01 0.00 0.00 64.21 63.04 1ip9 n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ip9 n GLY 9 N -3.98 0.09 3.50 0.23 0.00 -1.26 -4.85 105.19 98.92 1ip9 n GLY 9 Ca 0.12 -0.19 -0.46 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.66 2.28 -3.91 0.99 7.94 -1.26 -4.91 117.00 115.47 1ip9 n LEU 10 Ca -0.09 0.19 -0.11 0.00 -1.11 0.00 0.00 56.01 54.89 1ip9 n LEU 10 Cb 0.57 -1.36 -0.12 0.00 0.53 0.00 0.00 43.42 43.04 1ip9 n LEU 10 CO 0.32 -0.87 -0.29 -0.75 -1.11 0.00 0.00 177.39 174.69 1ip9 s LYS 11 N 6.81 0.26 -0.00 1.96 2.47 -1.26 -5.16 119.74 124.82 1ip9 s LYS 11 Ca 1.08 -0.31 0.07 0.00 -1.56 0.00 0.00 55.97 55.24 1ip9 s LYS 11 Cb -0.65 0.10 -0.02 0.00 -1.46 0.00 0.00 37.83 35.80 1ip9 s LYS 11 CO 0.42 -0.05 -0.22 0.95 0.16 0.00 0.00 175.35 176.62 1ip9 s THR 12 N -0.90 1.71 -0.18 3.43 -4.23 -1.26 -4.02 115.64 110.19 1ip9 s THR 12 Ca -0.10 -1.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.34 1ip9 s THR 12 Cb -0.06 -1.43 -0.04 0.00 1.34 0.00 0.00 72.50 72.30 1ip9 s THR 12 CO -0.00 0.42 0.08 -0.89 -0.54 0.00 0.00 174.62 173.69 1ip9 s THR 13 N -0.58 4.99 -0.41 3.99 2.01 -0.44 -4.82 115.64 120.38 1ip9 s THR 13 Ca 0.08 0.04 -0.24 0.00 0.31 0.00 0.00 61.69 61.88 1ip9 s THR 13 Cb -0.08 -3.25 0.02 0.00 0.01 0.00 0.00 72.50 69.20 1ip9 s THR 13 CO -0.00 0.47 0.83 -0.75 -0.69 0.00 0.00 174.62 174.48 1ip9 s LYS 14 N 0.24 3.60 -0.07 4.92 2.20 -1.26 -2.42 119.74 126.95 1ip9 s LYS 14 Ca 0.05 0.18 0.05 0.00 -0.36 0.00 0.00 55.97 55.89 1ip9 s LYS 14 Cb -0.12 -3.88 -0.00 0.00 -1.51 0.00 0.00 37.83 32.32 1ip9 s LYS 14 CO -0.00 -1.03 -0.23 0.42 -0.36 0.00 0.00 175.35 174.15 1ip9 s ILE 15 N 3.36 1.92 -0.25 5.43 1.01 -0.87 -4.77 121.20 127.03 1ip9 s ILE 15 Ca 0.33 -0.97 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 1ip9 s ILE 15 Cb -0.12 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 1ip9 s ILE 15 CO 0.21 0.53 0.03 -0.54 0.00 0.00 0.00 174.94 175.18 1ip9 s LYS 16 N 0.10 3.39 0.75 2.79 -0.14 -1.26 -1.19 119.74 124.18 1ip9 s LYS 16 Ca -0.10 -0.64 -0.08 0.00 -1.36 0.00 0.00 55.97 53.79 1ip9 s LYS 16 Cb -0.15 -3.23 0.09 0.00 -1.68 0.00 0.00 37.83 32.85 1ip9 s LYS 16 CO 0.05 -0.27 1.07 -0.06 -0.76 0.00 0.00 175.35 175.39 1ip9 s PHE 17 N 1.53 2.61 -0.41 3.18 0.40 -0.14 -0.47 117.98 124.69 1ip9 s PHE 17 Ca 0.05 0.39 0.08 0.00 -0.60 0.00 0.00 56.93 56.85 1ip9 s PHE 17 Cb -0.15 -3.33 0.26 0.00 0.51 0.00 0.00 43.02 40.30 1ip9 s PHE 17 CO 0.01 -1.65 0.55 0.66 0.70 0.00 0.00 175.22 175.50 1ip9 n TYR 18 N -3.07 0.03 -2.12 0.36 4.02 0.58 -2.91 117.16 114.05 1ip9 n TYR 18 Ca 0.10 -3.63 -0.43 0.00 -0.01 0.00 0.00 57.90 53.93 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 -1.38 2.02 0.00 -0.72 5.04 -0.89 -1.68 117.35 119.73 1ip9 s TYR 19 Ca 0.36 0.63 0.00 0.00 -2.44 0.00 0.00 57.07 55.62 1ip9 s TYR 19 Cb 0.18 -4.19 0.00 0.00 0.35 0.00 0.00 41.96 38.30 1ip9 s TYR 19 CO -0.10 -2.64 0.00 1.63 -1.34 0.00 0.00 175.55 173.10 1ip9 n LYS 20 N 8.28 0.00 0.00 4.97 5.02 -1.00 -1.48 118.16 133.95 1ip9 n LYS 20 Ca 0.21 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.64 1ip9 n LYS 20 Cb 0.47 0.00 0.64 0.00 -0.02 0.00 0.00 35.03 36.12 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 -0.18 0.54 -4.94 4.39 8.00 -1.26 -4.84 116.55 118.25 1ip9 n ASP 21 Ca 0.00 -0.73 -0.24 0.00 0.71 0.00 0.00 54.79 54.53 1ip9 n ASP 21 Cb 0.00 -0.05 0.02 0.00 -0.02 0.00 0.00 41.12 41.07 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 -2.37 5.66 -0.02 -2.24 2.15 -0.55 -5.11 116.67 114.20 1ip9 s ASP 22 Ca 0.32 0.40 -0.11 0.00 0.43 0.00 0.00 52.55 53.59 1ip9 s ASP 22 Cb 0.20 -1.51 0.02 0.00 -0.30 0.00 0.00 42.92 41.33 1ip9 s ASP 22 CO 0.45 -0.90 0.24 -0.63 -0.17 0.00 0.00 175.17 174.16 1ip9 s ILE 23 N -2.75 0.06 0.00 4.11 1.01 -1.26 -2.10 121.20 120.27 1ip9 s ILE 23 Ca 0.51 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1ip9 s ILE 23 Cb -0.10 -0.51 0.00 0.00 0.01 0.00 0.00 42.46 41.86 1ip9 s ILE 23 CO 0.41 -0.26 0.00 2.22 0.00 0.00 0.00 174.94 177.30 1ip9 n PHE 24 N 1.61 0.00 -3.98 3.97 -1.74 -1.15 -4.94 117.46 111.24 1ip9 n PHE 24 Ca -0.21 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 -0.06 0.00 1.52 0.00 0.00 39.48 41.50 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 -0.14 -0.16 1.98 0.00 -1.26 -0.97 121.76 119.21 1ip9 s ALA 25 Ca 0.00 -0.88 -0.20 0.00 0.00 0.00 0.00 51.96 50.89 1ip9 s ALA 25 Cb 0.00 1.02 0.05 0.00 0.00 0.00 0.00 23.12 24.19 1ip9 s ALA 25 CO 0.00 -0.78 0.53 -1.17 0.00 0.00 0.00 175.76 174.34 1ip9 s LEU 26 N -3.00 -0.01 -0.44 0.00 2.96 -0.34 -4.94 118.68 112.90 1ip9 s LEU 26 Ca 0.21 0.92 -0.10 0.00 -0.22 0.00 0.00 54.13 54.94 1ip9 s LEU 26 Cb 0.01 1.85 0.09 0.00 0.50 0.00 0.00 46.19 48.64 1ip9 s LEU 26 CO 0.06 -0.26 0.31 -0.04 -1.32 0.00 0.00 176.35 175.09 1ip9 s MET 27 N -0.07 2.64 -0.13 1.98 -1.94 -1.26 -2.04 119.30 118.49 1ip9 s MET 27 Ca -0.03 -1.53 -0.17 0.00 -1.71 0.00 0.00 55.69 52.26 1ip9 s MET 27 Cb -0.03 -3.89 -0.04 0.00 2.01 0.00 0.00 34.83 32.88 1ip9 s MET 27 CO 0.02 -1.04 0.42 -0.51 -0.01 0.00 0.00 175.02 173.91 1ip9 s LEU 28 N 1.45 4.27 -0.01 -0.03 1.02 -1.02 -4.72 118.68 119.64 1ip9 s LEU 28 Ca 0.04 0.73 0.12 0.00 0.02 0.00 0.00 54.13 55.04 1ip9 s LEU 28 Cb -0.24 -2.60 0.37 0.00 0.02 0.00 0.00 46.19 43.74 1ip9 s LEU 28 CO 0.02 0.03 1.30 0.29 0.02 0.00 0.00 176.35 178.01 1ip9 n LYS 29 N 3.61 2.05 0.00 1.70 5.02 -1.26 -1.33 118.16 127.96 1ip9 n LYS 29 Ca -0.08 -1.51 0.00 0.00 -2.02 0.00 0.00 58.31 54.70 1ip9 n LYS 29 Cb 0.52 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 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 1.10 2.77 0.29 0.72 0.00 -1.26 -4.76 105.19 104.04 1ip9 n GLY 30 Ca 0.14 -0.72 0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.60 1.61 2.03 -1.96 -3.43 116.42 113.06 1ip9 h ASP 31 Ca 0.00 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 55.84 1ip9 h ASP 31 Cb 0.00 0.00 0.24 0.00 -0.83 0.00 0.00 39.33 38.74 1ip9 h ASP 31 CO 0.00 0.02 -1.91 0.41 -1.03 0.00 0.00 179.24 176.73 1ip9 n THR 32 N -3.98 0.00 -3.92 1.15 -1.04 -1.26 -5.01 114.28 100.22 1ip9 n THR 32 Ca -0.03 -0.14 -0.10 0.00 -2.04 0.00 0.00 64.05 61.75 1ip9 n THR 32 Cb 0.10 -0.29 -0.02 0.00 -1.82 0.00 0.00 70.33 68.30 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 -3.95 0.00 0.10 12.58 -2.24 -1.26 -4.86 114.28 114.64 1ip9 n THR 33 Ca -0.01 -1.18 -0.19 0.00 -2.27 0.00 0.00 64.05 60.40 1ip9 n THR 33 Cb 0.68 0.71 -0.11 0.00 -2.10 0.00 0.00 70.33 69.50 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 1.65 0.78 0.00 4.78 3.20 -1.83 -1.53 116.97 124.02 1ip9 h TYR 34 Ca -0.17 -0.50 -0.09 0.00 3.14 0.00 0.00 58.73 61.12 1ip9 h TYR 34 Cb 0.76 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 1ip9 h TYR 34 CO 0.00 1.36 -0.41 0.87 -1.64 0.00 0.00 178.16 178.34 1ip9 h LYS 35 N 0.20 0.00 -0.26 1.82 1.57 -1.96 -1.50 116.57 116.44 1ip9 h LYS 35 Ca -0.16 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.46 1ip9 h LYS 35 Cb 1.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.19 1ip9 h LYS 35 CO 0.22 0.41 -0.49 1.49 -0.57 0.00 0.00 179.45 180.50 1ip9 h GLU 36 N 0.00 0.80 -0.57 3.15 4.57 -1.92 -2.00 114.58 118.61 1ip9 h GLU 36 Ca -0.00 -0.51 -0.05 0.00 -1.18 0.00 0.00 59.36 57.62 1ip9 h GLU 36 Cb 1.22 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.84 1ip9 h GLU 36 CO 0.05 1.14 0.14 1.25 -1.18 0.00 0.00 179.01 180.41 1ip9 h LEU 37 N 0.55 0.81 0.17 1.64 6.46 -1.14 -0.14 115.31 123.67 1ip9 h LEU 37 Ca 0.01 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.62 1ip9 h LEU 37 Cb 1.10 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.82 1ip9 h LEU 37 CO 0.11 0.79 -0.10 0.03 -0.62 0.00 0.00 178.44 178.65 1ip9 h ARG 38 N 0.84 -0.25 0.00 1.25 3.08 -0.91 0.17 114.38 118.56 1ip9 h ARG 38 Ca 0.18 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1ip9 h ARG 38 Cb 0.30 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1ip9 h ARG 38 CO -0.00 -0.17 0.00 0.45 -1.07 0.00 0.00 179.97 179.18 1ip9 n SER 39 N -5.21 0.00 0.06 7.04 2.88 -0.78 -1.32 113.62 116.28 1ip9 n SER 39 Ca -0.08 0.42 0.11 0.00 -1.33 0.00 0.00 58.87 57.99 1ip9 n SER 39 Cb 0.14 -0.47 -0.01 0.00 -0.75 0.00 0.00 64.21 63.12 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 -1.47 0.49 -0.06 -1.46 5.02 -0.08 -4.31 118.16 116.28 1ip9 n LYS 40 Ca 0.07 0.02 -0.07 0.00 -2.02 0.00 0.00 58.31 56.31 1ip9 n LYS 40 Cb 0.27 -1.69 -0.10 0.00 -0.02 0.00 0.00 35.03 33.49 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 -2.34 0.89 -0.23 -0.18 5.41 0.51 -4.53 119.36 118.88 1ip9 n ILE 41 Ca 0.00 -0.54 0.04 0.00 1.00 0.00 0.00 62.75 63.25 1ip9 n ILE 41 Cb 0.51 -0.67 0.15 0.00 -0.71 0.00 0.00 39.64 38.92 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 0.61 0.82 0.00 -1.39 0.00 -1.39 0.32 119.26 118.23 1ip9 h ALA 42 Ca -0.35 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ip9 h ALA 42 Cb 1.79 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.85 1ip9 h ALA 42 CO 0.02 -0.37 -0.05 -1.00 0.00 0.00 0.00 179.25 177.85 1ip9 h PRO 43 N 0.20 0.00 -0.00 0.00 0.13 -1.78 -2.19 132.00 128.35 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 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1ip9 h PRO 43 CO -0.53 0.05 -0.67 0.54 -0.23 0.00 0.00 178.00 177.17 1ip9 n ARG 44 N -3.15 0.18 -0.06 0.86 5.12 0.39 -4.10 116.66 115.90 1ip9 n ARG 44 Ca 0.01 -0.13 -0.11 0.00 -1.93 0.00 0.00 57.85 55.69 1ip9 n ARG 44 Cb 0.38 -1.50 -0.15 0.00 -1.16 0.00 0.00 32.46 30.04 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 -1.29 1.54 -0.43 0.55 5.41 0.86 -4.96 119.36 121.04 1ip9 n ILE 45 Ca 0.06 -0.79 0.00 0.00 1.00 0.00 0.00 62.75 63.02 1ip9 n ILE 45 Cb 0.35 -0.93 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 -3.00 -0.89 -3.61 4.38 8.00 -0.86 -5.03 116.55 115.54 1ip9 n ASP 46 Ca -0.27 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.07 1ip9 n ASP 46 Cb 1.09 -0.15 -0.08 0.00 -0.02 0.00 0.00 41.12 41.96 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 -2.26 0.00 -0.80 -3.53 -1.32 -1.18 -5.05 115.64 101.50 1ip9 s THR 47 Ca 0.00 -1.91 0.10 0.00 -1.21 0.00 0.00 61.69 58.67 1ip9 s THR 47 Cb 0.00 -2.51 -0.03 0.00 -1.51 0.00 0.00 72.50 68.45 1ip9 s THR 47 CO 0.00 0.00 0.58 -0.67 -2.21 0.00 0.00 174.62 172.32 1ip9 n ASP 48 N -1.11 1.03 -3.96 8.08 2.03 -1.26 -4.47 116.55 116.88 1ip9 n ASP 48 Ca 0.04 -1.01 -0.29 0.00 0.52 0.00 0.00 54.79 54.05 1ip9 n ASP 48 Cb 0.63 0.59 -0.16 0.00 -0.72 0.00 0.00 41.12 41.46 1ip9 n ASP 48 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1ip9 s ASN 49 N -1.48 2.81 -0.01 1.67 0.01 -1.26 -4.98 114.94 111.71 1ip9 s ASN 49 Ca 0.07 -0.60 -0.12 0.00 -0.71 0.00 0.00 52.86 51.50 1ip9 s ASN 49 Cb 0.08 -1.07 0.01 0.00 0.41 0.00 0.00 41.25 40.68 1ip9 s ASN 49 CO 0.28 -0.12 0.24 0.72 -1.51 0.00 0.00 177.10 176.72 1ip9 s PHE 50 N 1.54 -0.09 -0.33 2.20 -0.71 -1.26 -1.72 117.98 117.61 1ip9 s PHE 50 Ca 0.02 0.10 -0.13 0.00 -1.04 0.00 0.00 56.93 55.88 1ip9 s PHE 50 Cb -0.14 0.04 -0.02 0.00 -1.21 0.00 0.00 43.02 41.69 1ip9 s PHE 50 CO -0.09 -0.35 0.28 0.21 -1.34 0.00 0.00 175.22 173.93 1ip9 s LYS 51 N -1.38 3.63 -0.19 1.99 2.20 -0.29 -4.80 119.74 120.90 1ip9 s LYS 51 Ca -0.14 -0.47 -0.10 0.00 -0.36 0.00 0.00 55.97 54.91 1ip9 s LYS 51 Cb -0.06 -3.77 -0.05 0.00 -1.51 0.00 0.00 37.83 32.44 1ip9 s LYS 51 CO 0.03 -0.42 0.14 -0.51 -0.36 0.00 0.00 175.35 174.23 1ip9 s LEU 52 N 1.85 4.23 0.31 5.43 1.43 -1.26 -0.93 118.68 129.75 1ip9 s LEU 52 Ca 0.09 0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 1ip9 s LEU 52 Cb -0.17 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 1ip9 s LEU 52 CO 0.11 0.20 0.14 -1.10 0.23 0.00 0.00 176.35 175.93 1ip9 s GLN 53 N 0.20 1.62 -1.17 1.70 1.11 -0.62 -1.00 119.66 121.51 1ip9 s GLN 53 Ca 0.09 -1.92 -0.17 0.00 0.01 0.00 0.00 55.36 53.37 1ip9 s GLN 53 Cb -0.11 -0.25 0.12 0.00 -1.01 0.00 0.00 33.01 31.77 1ip9 s GLN 53 CO -0.01 -0.41 1.47 0.95 0.01 0.00 0.00 175.29 177.29 1ip9 s THR 54 N -3.55 4.62 -0.35 -0.19 -4.23 -0.75 -1.29 115.64 109.90 1ip9 s THR 54 Ca 0.34 -2.07 -0.31 0.00 -1.18 0.00 0.00 61.69 58.47 1ip9 s THR 54 Cb 0.05 -4.98 -0.13 0.00 1.34 0.00 0.00 72.50 68.78 1ip9 s THR 54 CO 0.16 -1.75 1.50 1.17 -0.54 0.00 0.00 174.62 175.17 1ip9 n LYS 55 N 6.88 0.00 0.00 3.99 0.00 0.86 -2.57 118.16 127.32 1ip9 n LYS 55 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.69 1ip9 n LYS 55 Cb 0.46 -1.05 0.00 0.00 0.00 0.00 0.00 35.03 34.43 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 5.24 0.00 0.00 3.14 4.77 -1.26 -4.29 117.00 124.60 1ip9 n LEU 56 Ca 0.38 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1ip9 n LEU 56 Cb -0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1ip9 n LEU 56 CO 0.62 0.00 0.00 2.22 -1.33 0.00 0.00 177.39 178.90 1ip9 n PHE 57 N 0.00 0.00 0.06 -1.77 1.16 -1.26 -4.89 117.46 110.76 1ip9 n PHE 57 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.45 1ip9 n PHE 57 Cb 0.00 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 37.74 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 0.23 0.00 5.98 3.04 -2.00 -3.48 116.42 120.20 1ip9 h ASP 58 Ca 0.00 -0.29 0.00 0.00 -3.24 0.00 0.00 57.03 53.50 1ip9 h ASP 58 Cb 0.00 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.22 1ip9 h ASP 58 CO 0.00 1.24 0.00 0.61 -2.04 0.00 0.00 179.24 179.05 1ip9 n GLY 59 N 1.53 -1.81 3.64 7.15 0.00 -1.26 -5.16 105.19 109.28 1ip9 n GLY 59 Ca -0.10 0.62 -0.10 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.48 0.16 0.00 1.61 1.04 -1.26 -4.34 113.70 109.42 1ip9 s SER 60 Ca 0.00 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.35 1ip9 s SER 60 Cb 0.00 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1ip9 s SER 60 CO 0.00 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 173.51 1ip9 n GLY 61 N -0.47 4.63 3.64 7.32 0.00 -1.06 -4.47 105.19 114.78 1ip9 n GLY 61 Ca -0.03 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 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 2.51 -1.97 1.61 1.02 -1.26 -4.39 120.64 118.16 1ip9 n GLU 62 Ca 0.00 0.87 -0.38 0.00 -0.02 0.00 0.00 57.16 57.63 1ip9 n GLU 62 Cb 0.00 -3.04 -0.03 0.00 -0.02 0.00 0.00 31.44 28.35 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 5.04 2.54 -0.21 3.49 2.12 -1.26 -1.82 118.70 128.61 1ip9 s GLU 63 Ca 0.93 0.69 -0.41 0.00 0.36 0.00 0.00 54.97 56.54 1ip9 s GLU 63 Cb -0.43 -4.44 -0.17 0.00 0.26 0.00 0.00 34.13 29.34 1ip9 s GLU 63 CO 0.41 -2.84 1.53 -0.89 -0.54 0.00 0.00 175.26 172.93 1ip9 n ILE 64 N 7.35 0.13 -1.95 -3.70 -0.00 -0.17 -4.78 119.36 116.24 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 0.52 -0.80 0.00 0.00 -0.00 0.00 0.00 39.64 39.36 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 3.89 0.00 -3.57 0.38 5.02 -1.26 -4.61 118.16 118.01 1ip9 n LYS 65 Ca 0.25 -0.57 -0.17 0.00 -2.02 0.00 0.00 58.31 55.80 1ip9 n LYS 65 Cb 0.09 -0.30 -0.06 0.00 -0.02 0.00 0.00 35.03 34.74 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 0.66 -0.18 -4.23 -1.26 -4.99 115.64 105.65 1ip9 s THR 66 Ca 0.00 -0.11 0.25 0.00 -1.18 0.00 0.00 61.69 60.66 1ip9 s THR 66 Cb 0.00 -0.92 0.26 0.00 1.34 0.00 0.00 72.50 73.18 1ip9 s THR 66 CO 0.00 -0.06 1.76 0.44 -0.54 0.00 0.00 174.62 176.23 1ip9 h ASP 67 N 3.14 0.00 0.23 3.99 5.19 -1.94 0.33 116.42 127.36 1ip9 h ASP 67 Ca -0.28 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 55.82 1ip9 h ASP 67 Cb 1.15 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.70 1ip9 h ASP 67 CO 0.39 0.00 -1.36 0.77 -3.12 0.00 0.00 179.24 175.92 1ip9 h SER 68 N 0.00 0.76 -0.37 6.45 4.64 -1.96 -1.59 113.55 121.47 1ip9 h SER 68 Ca 0.02 -0.93 -0.04 0.00 -0.47 0.00 0.00 61.79 60.38 1ip9 h SER 68 Cb 0.95 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 1ip9 h SER 68 CO -0.00 1.65 0.10 1.56 -0.87 0.00 0.00 176.83 179.27 1ip9 h GLN 69 N 0.03 0.66 0.03 4.77 1.08 -0.74 0.41 115.11 121.35 1ip9 h GLN 69 Ca -0.24 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 56.83 1ip9 h GLN 69 Cb 2.06 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 29.38 1ip9 h GLN 69 CO 0.24 0.61 -0.01 0.28 -0.95 0.00 0.00 178.83 179.00 1ip9 h VAL 70 N 0.65 1.42 0.00 -0.54 2.07 -1.47 -0.46 116.25 117.92 1ip9 h VAL 70 Ca 0.15 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1ip9 h VAL 70 Cb 0.26 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1ip9 h VAL 70 CO -0.00 0.39 0.00 -1.20 0.02 0.00 0.00 177.57 176.78 1ip9 n SER 71 N -4.78 0.60 0.01 0.57 7.64 -0.60 -0.24 113.62 116.83 1ip9 n SER 71 Ca -0.09 0.73 -0.21 0.00 1.01 0.00 0.00 58.87 60.32 1ip9 n SER 71 Cb 0.33 -0.83 -0.14 0.00 -1.01 0.00 0.00 64.21 62.56 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 0.38 0.41 6.43 -1.24 0.06 -0.55 115.58 121.07 1ip9 h ASN 72 Ca 0.00 -0.88 0.00 0.00 0.71 0.00 0.00 56.30 56.13 1ip9 h ASN 72 Cb 0.12 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.04 1ip9 h ASN 72 CO 0.00 1.49 0.00 0.40 -1.29 0.00 0.00 177.43 178.03 1ip9 h ILE 73 N -0.40 0.00 0.14 2.57 5.03 0.44 0.16 117.51 125.45 1ip9 h ILE 73 Ca -0.23 -0.15 -0.27 0.00 -0.12 0.00 0.00 64.86 64.08 1ip9 h ILE 73 Cb 1.65 0.85 0.01 0.00 -3.03 0.00 0.00 36.82 36.30 1ip9 h ILE 73 CO 0.08 0.00 -1.35 0.40 -0.68 0.00 0.00 178.15 176.59 1ip9 h ILE 74 N 0.00 1.12 0.00 -0.67 2.04 -0.46 0.26 117.51 119.80 1ip9 h ILE 74 Ca 0.00 -2.46 0.00 0.00 1.00 0.00 0.00 64.86 63.40 1ip9 h ILE 74 Cb 0.21 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 1ip9 h ILE 74 CO 0.00 0.74 -0.08 1.67 0.00 0.00 0.00 178.15 180.47 1ip9 n GLN 75 N -3.90 0.22 0.00 2.37 7.27 -0.23 -3.47 117.38 119.64 1ip9 n GLN 75 Ca -0.22 0.16 0.00 0.00 0.07 0.00 0.00 57.00 57.01 1ip9 n GLN 75 Cb 0.92 -1.74 0.00 0.00 2.41 0.00 0.00 30.24 31.84 1ip9 n GLN 75 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ip9 n ALA 76 N -1.74 2.44 -3.29 1.69 0.00 0.48 -5.05 120.51 115.04 1ip9 n ALA 76 Ca 0.06 -0.44 -0.24 0.00 0.00 0.00 0.00 53.44 52.81 1ip9 n ALA 76 Cb 0.42 -0.03 0.02 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.10 -1.80 -4.56 0.00 4.81 0.84 -4.94 118.16 112.40 1ip9 n LYS 77 Ca 0.00 1.51 -0.34 0.00 -0.87 0.00 0.00 58.31 58.62 1ip9 n LYS 77 Cb 0.02 -2.68 -0.11 0.00 0.02 0.00 0.00 35.03 32.27 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 -2.17 3.23 0.04 3.14 2.01 -0.75 -5.01 118.68 119.18 1ip9 s LEU 78 Ca 0.27 -0.02 -0.30 0.00 0.01 0.00 0.00 54.13 54.09 1ip9 s LEU 78 Cb -0.04 -1.72 -0.06 0.00 0.01 0.00 0.00 46.19 44.38 1ip9 s LEU 78 CO 0.69 0.34 1.41 -0.54 1.01 0.00 0.00 176.35 179.25 1ip9 s LYS 79 N -0.64 4.29 0.23 1.70 1.02 -1.26 -4.45 119.74 120.63 1ip9 s LYS 79 Ca 0.10 2.01 -0.01 0.00 0.02 0.00 0.00 55.97 58.08 1ip9 s LYS 79 Cb -0.12 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.67 1ip9 s LYS 79 CO 0.02 -0.54 0.43 0.42 -0.92 0.00 0.00 175.35 174.76 1ip9 s ILE 80 N 2.02 5.17 -0.06 2.17 -1.09 0.38 0.30 121.20 130.09 1ip9 s ILE 80 Ca 0.64 -0.32 0.06 0.00 -2.23 0.00 0.00 60.65 58.80 1ip9 s ILE 80 Cb -0.33 -3.74 -0.01 0.00 -1.58 0.00 0.00 42.46 36.79 1ip9 s ILE 80 CO 0.28 -0.23 -0.23 -0.94 -1.23 0.00 0.00 174.94 172.59 1ip9 s SER 81 N -3.24 2.86 -0.11 3.58 1.04 -0.41 0.21 113.70 117.64 1ip9 s SER 81 Ca 0.39 -0.48 -0.00 0.00 0.48 0.00 0.00 55.95 56.34 1ip9 s SER 81 Cb -0.11 -0.81 -0.02 0.00 0.10 0.00 0.00 66.02 65.18 1ip9 s SER 81 CO 0.30 0.22 -0.09 -0.69 0.98 0.00 0.00 173.24 173.95 1ip9 s VAL 82 N -0.10 3.43 0.35 5.02 1.01 -0.68 -1.58 120.40 127.85 1ip9 s VAL 82 Ca -0.04 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.47 1ip9 s VAL 82 Cb -0.13 -2.44 -0.07 0.00 0.00 0.00 0.00 36.38 33.74 1ip9 s VAL 82 CO 0.04 0.54 -0.05 -1.00 0.00 0.00 0.00 175.10 174.63 1ip9 s HIS 83 N -0.08 2.34 -0.21 5.22 3.76 -0.11 -2.37 115.29 123.84 1ip9 s HIS 83 Ca -0.00 -0.61 -0.13 0.00 -0.15 0.00 0.00 55.06 54.16 1ip9 s HIS 83 Cb -0.14 -1.45 -0.04 0.00 1.11 0.00 0.00 32.58 32.06 1ip9 s HIS 83 CO 0.03 0.46 0.29 -0.51 -0.85 0.00 0.00 174.74 174.16 1ip9 s ASP 84 N -3.60 6.31 0.00 1.40 1.11 -1.26 -1.14 116.67 119.48 1ip9 s ASP 84 Ca 0.33 0.35 0.00 0.00 0.18 0.00 0.00 52.55 53.41 1ip9 s ASP 84 Cb 0.05 -2.17 0.00 0.00 1.07 0.00 0.00 42.92 41.87 1ip9 s ASP 84 CO 0.16 0.00 0.00 2.30 1.18 0.00 0.00 175.17 178.82