#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 2.69 0.02 4.61 0.00 -1.26 -5.08 120.51 121.49 1ip9 n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ip9 n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ip9 n ALA 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1ip9 n MET 3 N -2.04 0.00 0.00 0.00 0.00 -1.26 -5.17 117.12 108.66 1ip9 n MET 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1ip9 n MET 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1ip9 n MET 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ip9 n GLY 4 N -0.54 3.74 2.97 -5.12 0.00 -1.26 -5.14 105.19 99.85 1ip9 n GLY 4 Ca 0.00 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 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 0.00 0.09 0.08 1.61 1.04 -1.26 -5.17 113.70 110.10 1ip9 s SER 5 Ca 0.00 -0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.23 1ip9 s SER 5 Cb 0.00 0.11 -0.00 0.00 0.10 0.00 0.00 66.02 66.23 1ip9 s SER 5 CO 0.00 -0.19 0.04 -1.20 0.98 0.00 0.00 173.24 172.87 1ip9 n SER 6 N 2.20 0.68 0.00 7.02 7.64 -1.26 -5.08 113.62 124.81 1ip9 n SER 6 Ca -0.19 -1.47 0.00 0.00 1.01 0.00 0.00 58.87 58.22 1ip9 n SER 6 Cb 0.57 0.26 0.00 0.00 -1.01 0.00 0.00 64.21 64.03 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 -0.18 0.00 -1.18 0.44 -1.04 -1.26 -5.17 114.28 105.89 1ip9 n THR 7 Ca -0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.13 1ip9 n THR 7 Cb 0.13 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.59 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 -1.89 -5.92 0.00 8.00 2.88 -1.26 -5.05 113.62 110.38 1ip9 n SER 8 Ca 0.00 0.87 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 1ip9 n SER 8 Cb 0.00 -3.89 0.00 0.00 -0.75 0.00 0.00 64.21 59.57 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 -3.79 4.47 0.00 0.46 0.00 -1.26 -5.18 105.19 99.89 1ip9 n GLY 9 Ca -0.05 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 0.00 -4.53 0.99 7.94 -1.26 -5.14 117.00 115.01 1ip9 n LEU 10 Ca 0.00 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.65 1ip9 n LEU 10 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 1ip9 n LEU 10 CO 0.00 -0.38 -0.26 -0.54 -1.11 0.00 0.00 177.39 175.10 1ip9 s LYS 11 N -0.95 1.82 -0.40 1.96 3.01 -1.26 -5.02 119.74 118.90 1ip9 s LYS 11 Ca 0.00 -2.05 -0.28 0.00 -1.01 0.00 0.00 55.97 52.63 1ip9 s LYS 11 Cb 0.00 -1.02 0.02 0.00 -1.01 0.00 0.00 37.83 35.82 1ip9 s LYS 11 CO 0.00 -0.24 1.06 0.95 0.51 0.00 0.00 175.35 177.63 1ip9 s THR 12 N -3.14 4.40 0.20 2.17 -4.23 -1.25 -4.36 115.64 109.43 1ip9 s THR 12 Ca 0.30 1.38 -0.29 0.00 -1.18 0.00 0.00 61.69 61.90 1ip9 s THR 12 Cb 0.07 -4.48 -0.08 0.00 1.34 0.00 0.00 72.50 69.35 1ip9 s THR 12 CO 0.14 -0.72 0.92 -0.89 -0.54 0.00 0.00 174.62 173.53 1ip9 s THR 13 N 3.94 4.21 -0.36 3.99 2.01 -0.55 -4.66 115.64 124.23 1ip9 s THR 13 Ca 0.45 2.02 -0.20 0.00 0.31 0.00 0.00 61.69 64.27 1ip9 s THR 13 Cb -0.10 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.12 1ip9 s THR 13 CO 0.23 0.46 0.59 -0.75 -0.69 0.00 0.00 174.62 174.47 1ip9 s LYS 14 N -0.92 3.62 -0.08 4.92 2.20 -1.26 -1.98 119.74 126.24 1ip9 s LYS 14 Ca 0.41 -0.06 0.04 0.00 -0.36 0.00 0.00 55.97 56.00 1ip9 s LYS 14 Cb -0.25 -3.82 0.00 0.00 -1.51 0.00 0.00 37.83 32.25 1ip9 s LYS 14 CO 0.31 -0.72 -0.21 0.42 -0.36 0.00 0.00 175.35 174.79 1ip9 s ILE 15 N 2.60 1.77 -0.25 5.43 1.01 -0.89 -4.83 121.20 126.04 1ip9 s ILE 15 Ca 0.22 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 59.92 1ip9 s ILE 15 Cb -0.15 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 1ip9 s ILE 15 CO 0.15 0.50 0.12 -0.54 0.00 0.00 0.00 174.94 175.16 1ip9 s LYS 16 N 0.37 3.82 0.71 2.79 -0.14 -1.26 -1.18 119.74 124.86 1ip9 s LYS 16 Ca -0.16 -0.39 -0.08 0.00 -1.36 0.00 0.00 55.97 53.98 1ip9 s LYS 16 Cb -0.17 -3.44 0.06 0.00 -1.68 0.00 0.00 37.83 32.60 1ip9 s LYS 16 CO 0.07 -0.11 1.04 -0.06 -0.76 0.00 0.00 175.35 175.52 1ip9 s PHE 17 N 1.48 2.97 -0.45 3.18 0.40 -0.11 -1.04 117.98 124.42 1ip9 s PHE 17 Ca 0.06 0.54 0.07 0.00 -0.60 0.00 0.00 56.93 57.01 1ip9 s PHE 17 Cb -0.15 -3.20 0.24 0.00 0.51 0.00 0.00 43.02 40.43 1ip9 s PHE 17 CO 0.06 -1.40 0.56 0.66 0.70 0.00 0.00 175.22 175.80 1ip9 n TYR 18 N -2.96 0.57 -2.04 0.36 4.02 0.58 -3.10 117.16 114.59 1ip9 n TYR 18 Ca 0.08 -3.69 -0.39 0.00 -0.01 0.00 0.00 57.90 53.88 1ip9 n TYR 18 Cb 0.60 -0.37 -0.03 0.00 -0.02 0.00 0.00 39.34 39.52 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 0.13 -1.58 117.35 120.48 1ip9 s TYR 19 Ca 0.36 0.77 0.00 0.00 -2.44 0.00 0.00 57.07 55.76 1ip9 s TYR 19 Cb 0.15 -4.10 0.00 0.00 0.35 0.00 0.00 41.96 38.37 1ip9 s TYR 19 CO -0.09 -2.34 0.00 1.63 -1.34 0.00 0.00 175.55 173.40 1ip9 n LYS 20 N 9.12 0.00 0.02 4.97 5.02 -0.94 -0.60 118.16 135.74 1ip9 n LYS 20 Ca 0.20 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.63 1ip9 n LYS 20 Cb 0.52 0.00 0.45 0.00 -0.02 0.00 0.00 35.03 35.97 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 2.55 0.33 -4.87 4.39 8.00 -1.26 -4.83 116.55 120.86 1ip9 n ASP 21 Ca 0.00 0.28 -0.30 0.00 0.71 0.00 0.00 54.79 55.48 1ip9 n ASP 21 Cb 0.00 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 40.78 1ip9 n ASP 21 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1ip9 s ASP 22 N -3.37 6.54 -0.01 -2.24 1.11 0.23 -5.09 116.67 113.84 1ip9 s ASP 22 Ca 0.12 1.16 -0.08 0.00 0.18 0.00 0.00 52.55 53.93 1ip9 s ASP 22 Cb 0.17 -2.33 0.01 0.00 1.07 0.00 0.00 42.92 41.83 1ip9 s ASP 22 CO 0.60 -0.39 0.16 -0.63 1.18 0.00 0.00 175.17 176.09 1ip9 s ILE 23 N -2.35 0.07 0.05 0.77 1.01 -1.26 -0.70 121.20 118.79 1ip9 s ILE 23 Ca 0.52 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.59 1ip9 s ILE 23 Cb -0.10 -0.42 -0.00 0.00 0.01 0.00 0.00 42.46 41.94 1ip9 s ILE 23 CO 0.30 -0.32 0.03 2.22 0.00 0.00 0.00 174.94 177.17 1ip9 n PHE 24 N 1.64 -0.03 -3.94 3.97 -1.74 -1.18 -4.93 117.46 111.25 1ip9 n PHE 24 Ca -0.21 -0.34 -0.08 0.00 -0.56 0.00 0.00 57.45 56.25 1ip9 n PHE 24 Cb 0.56 0.01 -0.08 0.00 1.52 0.00 0.00 39.48 41.49 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 -2.15 0.02 -0.10 1.98 0.00 -1.26 -0.93 121.76 119.31 1ip9 s ALA 25 Ca 0.04 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.08 1ip9 s ALA 25 Cb 0.00 0.48 0.03 0.00 0.00 0.00 0.00 23.12 23.62 1ip9 s ALA 25 CO 0.03 -0.48 0.27 -1.17 0.00 0.00 0.00 175.76 174.40 1ip9 s LEU 26 N -2.89 0.95 -0.45 0.00 2.96 -0.32 -4.95 118.68 113.97 1ip9 s LEU 26 Ca 0.07 0.54 -0.15 0.00 -0.22 0.00 0.00 54.13 54.37 1ip9 s LEU 26 Cb 0.06 0.91 0.06 0.00 0.50 0.00 0.00 46.19 47.72 1ip9 s LEU 26 CO -0.09 -0.10 0.35 -0.04 -1.32 0.00 0.00 176.35 175.15 1ip9 s MET 27 N 0.20 2.94 -0.34 1.98 -1.94 -1.26 -2.09 119.30 118.79 1ip9 s MET 27 Ca -0.00 -1.26 -0.19 0.00 -1.71 0.00 0.00 55.69 52.53 1ip9 s MET 27 Cb -0.02 -4.05 -0.00 0.00 2.01 0.00 0.00 34.83 32.76 1ip9 s MET 27 CO -0.00 -0.93 0.55 -0.51 -0.01 0.00 0.00 175.02 174.11 1ip9 s LEU 28 N 1.63 4.29 -0.04 -0.03 2.01 -0.84 -4.76 118.68 120.95 1ip9 s LEU 28 Ca 0.04 0.07 0.07 0.00 0.01 0.00 0.00 54.13 54.32 1ip9 s LEU 28 Cb -0.23 -2.65 0.26 0.00 0.01 0.00 0.00 46.19 43.59 1ip9 s LEU 28 CO 0.07 -0.49 1.07 1.17 1.01 0.00 0.00 176.35 179.18 1ip9 n LYS 29 N 5.81 2.01 0.00 1.70 3.00 -1.26 -1.48 118.16 127.93 1ip9 n LYS 29 Ca -0.04 -1.04 0.00 0.00 -0.00 0.00 0.00 58.31 57.23 1ip9 n LYS 29 Cb 0.49 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 34.02 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 0.57 2.65 0.24 3.14 0.00 -1.26 -4.73 105.19 105.80 1ip9 n GLY 30 Ca 0.09 -0.68 0.17 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.72 1.61 3.04 -1.98 -3.44 116.42 111.93 1ip9 h ASP 31 Ca 0.00 0.00 -0.54 0.00 -3.24 0.00 0.00 57.03 53.25 1ip9 h ASP 31 Cb 0.00 0.00 0.19 0.00 -1.04 0.00 0.00 39.33 38.48 1ip9 h ASP 31 CO 0.00 0.00 -0.12 0.41 -2.04 0.00 0.00 179.24 177.49 1ip9 n THR 32 N -2.72 1.27 -4.10 1.15 -1.04 -1.26 -5.02 114.28 102.56 1ip9 n THR 32 Ca -0.01 -0.24 -0.06 0.00 -2.04 0.00 0.00 64.05 61.70 1ip9 n THR 32 Cb 0.16 -0.90 -0.02 0.00 -1.82 0.00 0.00 70.33 67.74 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 -3.20 0.00 0.08 12.58 -2.24 -1.26 -4.78 114.28 115.46 1ip9 n THR 33 Ca 0.11 -0.75 -0.18 0.00 -2.27 0.00 0.00 64.05 60.96 1ip9 n THR 33 Cb 0.51 0.36 -0.14 0.00 -2.10 0.00 0.00 70.33 68.96 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 1.32 0.53 0.00 4.78 3.20 -1.83 -1.64 116.97 123.33 1ip9 h TYR 34 Ca -0.08 -0.39 0.00 0.00 3.14 0.00 0.00 58.73 61.40 1ip9 h TYR 34 Cb 0.37 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.62 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 0.08 0.00 0.07 1.82 1.57 -1.95 -1.21 116.57 116.95 1ip9 h LYS 35 Ca -0.23 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.38 1ip9 h LYS 35 Cb 2.03 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.36 1ip9 h LYS 35 CO 0.18 0.00 -0.69 1.49 -0.57 0.00 0.00 179.45 179.86 1ip9 h GLU 36 N 0.00 0.35 -0.81 3.15 4.57 -1.93 -2.87 114.58 117.03 1ip9 h GLU 36 Ca 0.00 -0.47 -0.01 0.00 -1.18 0.00 0.00 59.36 57.70 1ip9 h GLU 36 Cb 0.78 0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 29.48 1ip9 h GLU 36 CO 0.00 1.17 0.45 1.25 -1.18 0.00 0.00 179.01 180.70 1ip9 h LEU 37 N -0.25 1.00 -0.74 1.64 6.46 -1.11 0.14 115.31 122.44 1ip9 h LEU 37 Ca -0.11 -0.08 0.05 0.00 -0.12 0.00 0.00 57.88 57.63 1ip9 h LEU 37 Cb 1.46 -0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 41.09 1ip9 h LEU 37 CO 0.13 0.79 0.44 -0.09 -0.62 0.00 0.00 178.44 179.09 1ip9 h ARG 38 N 1.13 0.79 0.00 1.25 2.43 -1.19 0.32 114.38 119.11 1ip9 h ARG 38 Ca 0.29 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1ip9 h ARG 38 Cb 0.01 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 1ip9 h ARG 38 CO -0.05 0.52 -0.25 1.03 -1.51 0.00 0.00 179.97 179.71 1ip9 h SER 39 N 0.81 0.00 0.53 -3.80 0.87 -1.14 -1.32 113.55 109.50 1ip9 h SER 39 Ca 0.32 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1ip9 h SER 39 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1ip9 h SER 39 CO -0.17 0.03 -0.61 0.29 -0.53 0.00 0.00 176.83 175.85 1ip9 n LYS 40 N -2.40 0.09 -0.05 2.24 5.02 0.43 -4.22 118.16 119.27 1ip9 n LYS 40 Ca 0.04 0.01 -0.05 0.00 -2.02 0.00 0.00 58.31 56.30 1ip9 n LYS 40 Cb 0.46 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 33.86 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 -1.66 0.59 -0.24 -0.18 5.41 0.99 -4.52 119.36 119.75 1ip9 n ILE 41 Ca 0.05 -0.32 0.03 0.00 1.00 0.00 0.00 62.75 63.50 1ip9 n ILE 41 Cb 0.37 -0.81 0.12 0.00 -0.71 0.00 0.00 39.64 38.61 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 0.29 0.64 0.00 -1.39 0.00 -1.41 0.35 119.26 117.74 1ip9 h ALA 42 Ca -0.23 0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1ip9 h ALA 42 Cb 1.48 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 1ip9 h ALA 42 CO -0.00 -0.42 -0.20 -1.00 0.00 0.00 0.00 179.25 177.63 1ip9 h PRO 43 N 0.07 0.00 -0.02 0.00 0.13 -1.79 -1.78 132.00 128.61 1ip9 h PRO 43 Ca 0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.50 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 -0.65 0.20 -0.06 0.54 -0.23 0.00 0.00 178.00 177.80 1ip9 n ARG 44 N -3.35 1.63 -0.08 0.86 5.12 0.89 -4.01 116.66 117.72 1ip9 n ARG 44 Ca 0.00 -1.06 -0.09 0.00 -1.93 0.00 0.00 57.85 54.77 1ip9 n ARG 44 Cb 0.42 -1.48 -0.11 0.00 -1.16 0.00 0.00 32.46 30.13 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 0.24 1.05 -0.46 0.55 5.41 0.68 -4.98 119.36 121.84 1ip9 n ILE 45 Ca 0.17 -0.57 0.00 0.00 1.00 0.00 0.00 62.75 63.34 1ip9 n ILE 45 Cb 0.40 -0.77 0.00 0.00 -0.71 0.00 0.00 39.64 38.56 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 -2.71 -1.22 -3.58 4.38 8.00 -0.73 -5.03 116.55 115.66 1ip9 n ASP 46 Ca -0.27 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.08 1ip9 n ASP 46 Cb 0.95 -0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.79 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 -2.11 0.00 -1.09 -3.53 -1.32 -1.18 -5.05 115.64 101.35 1ip9 s THR 47 Ca 0.00 -1.73 0.09 0.00 -1.21 0.00 0.00 61.69 58.84 1ip9 s THR 47 Cb 0.00 -2.51 0.07 0.00 -1.51 0.00 0.00 72.50 68.54 1ip9 s THR 47 CO 0.00 0.00 0.78 0.47 -2.21 0.00 0.00 174.62 173.66 1ip9 n ASP 48 N -1.04 1.73 -3.89 8.08 8.00 -1.26 -4.51 116.55 123.65 1ip9 n ASP 48 Ca 0.02 -1.36 -0.30 0.00 0.71 0.00 0.00 54.79 53.86 1ip9 n ASP 48 Cb 0.63 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.57 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 -0.73 3.65 0.05 -2.24 -0.87 -1.26 -5.02 114.94 108.52 1ip9 s ASN 49 Ca 0.10 -1.11 -0.10 0.00 -1.57 0.00 0.00 52.86 50.18 1ip9 s ASN 49 Cb 0.07 -1.05 0.01 0.00 -0.02 0.00 0.00 41.25 40.26 1ip9 s ASN 49 CO 0.11 -0.25 0.22 0.72 -2.57 0.00 0.00 177.10 175.33 1ip9 s PHE 50 N 1.50 0.03 -0.20 2.20 -0.71 -1.26 -1.52 117.98 118.03 1ip9 s PHE 50 Ca -0.05 -0.28 -0.06 0.00 -1.04 0.00 0.00 56.93 55.51 1ip9 s PHE 50 Cb -0.18 -0.00 -0.03 0.00 -1.21 0.00 0.00 43.02 41.59 1ip9 s PHE 50 CO -0.07 -0.47 0.02 0.15 -1.34 0.00 0.00 175.22 173.51 1ip9 s LYS 51 N -2.83 3.72 -0.17 1.99 1.02 -0.46 -4.85 119.74 118.15 1ip9 s LYS 51 Ca -0.03 -0.47 -0.06 0.00 0.02 0.00 0.00 55.97 55.43 1ip9 s LYS 51 Cb 0.00 -3.13 -0.03 0.00 -0.52 0.00 0.00 37.83 34.15 1ip9 s LYS 51 CO -0.05 0.08 0.01 -0.51 -0.92 0.00 0.00 175.35 173.96 1ip9 s LEU 52 N 0.84 3.52 0.29 3.17 1.43 -1.26 -1.35 118.68 125.33 1ip9 s LEU 52 Ca 0.02 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1ip9 s LEU 52 Cb -0.14 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 1ip9 s LEU 52 CO 0.02 0.16 0.09 -1.10 0.23 0.00 0.00 176.35 175.75 1ip9 s GLN 53 N 0.44 1.54 -1.19 1.70 1.11 -0.68 0.05 119.66 122.63 1ip9 s GLN 53 Ca -0.00 -1.85 -0.19 0.00 0.01 0.00 0.00 55.36 53.33 1ip9 s GLN 53 Cb -0.13 -0.48 0.09 0.00 -1.01 0.00 0.00 33.01 31.48 1ip9 s GLN 53 CO 0.02 -0.28 1.58 0.95 0.01 0.00 0.00 175.29 177.57 1ip9 s THR 54 N -3.56 4.26 -0.23 -0.19 -4.23 -1.23 -1.22 115.64 109.24 1ip9 s THR 54 Ca 0.36 -1.74 -0.02 0.00 -1.18 0.00 0.00 61.69 59.12 1ip9 s THR 54 Cb 0.08 -5.09 -0.08 0.00 1.34 0.00 0.00 72.50 68.75 1ip9 s THR 54 CO 0.15 -1.91 0.52 1.17 -0.54 0.00 0.00 174.62 174.01 1ip9 n LYS 55 N 7.95 0.00 -0.16 3.99 0.00 0.82 -3.16 118.16 127.60 1ip9 n LYS 55 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.73 1ip9 n LYS 55 Cb 0.47 -0.26 0.00 0.00 0.00 0.00 0.00 35.03 35.24 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 1.39 0.00 0.08 3.14 4.77 -1.26 -4.56 117.00 120.56 1ip9 n LEU 56 Ca 0.16 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.13 1ip9 n LEU 56 Cb 0.05 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 1ip9 n LEU 56 CO 0.27 -0.24 0.09 2.19 -1.33 0.00 0.00 177.39 178.37 1ip9 h PHE 57 N -0.31 0.00 0.06 -1.77 -5.15 -1.89 -3.32 116.94 104.55 1ip9 h PHE 57 Ca 0.00 0.00 -0.24 0.00 -0.20 0.00 0.00 57.97 57.53 1ip9 h PHE 57 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1ip9 h PHE 57 CO 0.00 0.64 -1.07 0.38 -2.00 0.00 0.00 178.31 176.26 1ip9 h ASP 58 N 0.00 0.46 0.00 -0.68 2.03 -1.97 -3.47 116.42 112.79 1ip9 h ASP 58 Ca -0.08 -0.42 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 1ip9 h ASP 58 Cb 1.55 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.91 1ip9 h ASP 58 CO 0.07 1.26 0.00 0.61 -1.03 0.00 0.00 179.24 180.15 1ip9 n GLY 59 N 1.20 0.32 0.00 7.15 0.00 -1.25 -5.13 105.19 107.47 1ip9 n GLY 59 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.54 113.62 112.84 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 -0.07 4.50 3.55 5.00 0.00 -1.19 -4.39 105.19 112.59 1ip9 n GLY 61 Ca 0.00 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 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 0.78 -1.53 1.61 1.02 -1.26 -4.45 120.64 116.81 1ip9 n GLU 62 Ca 0.00 -0.31 -0.19 0.00 -0.02 0.00 0.00 57.16 56.63 1ip9 n GLU 62 Cb 0.00 -3.37 -0.15 0.00 -0.02 0.00 0.00 31.44 27.90 1ip9 n GLU 62 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1ip9 n GLU 63 N 8.80 0.30 -1.69 3.49 2.13 -1.26 -3.56 120.64 128.85 1ip9 n GLU 63 Ca 0.43 -0.39 -0.66 0.00 0.66 0.00 0.00 57.16 57.20 1ip9 n GLU 63 Cb 0.47 -2.36 -0.10 0.00 0.27 0.00 0.00 31.44 29.73 1ip9 n GLU 63 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1ip9 n ILE 64 N 7.20 0.00 -1.62 6.31 -0.00 0.11 -4.78 119.36 126.58 1ip9 n ILE 64 Ca 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.32 1ip9 n ILE 64 Cb 0.28 -0.39 0.00 0.00 -0.00 0.00 0.00 39.64 39.53 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 3.46 0.00 -3.73 0.38 5.02 -1.26 -4.48 118.16 117.55 1ip9 n LYS 65 Ca 0.29 -0.48 -0.14 0.00 -2.02 0.00 0.00 58.31 55.96 1ip9 n LYS 65 Cb -0.03 -0.34 -0.08 0.00 -0.02 0.00 0.00 35.03 34.56 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 0.05 0.65 -0.18 -4.23 -1.26 -5.00 115.64 105.67 1ip9 s THR 66 Ca 0.00 -0.40 0.21 0.00 -1.18 0.00 0.00 61.69 60.33 1ip9 s THR 66 Cb 0.00 -0.66 0.23 0.00 1.34 0.00 0.00 72.50 73.41 1ip9 s THR 66 CO 0.00 -0.22 1.63 0.44 -0.54 0.00 0.00 174.62 175.93 1ip9 h ASP 67 N 3.82 0.00 0.18 3.99 3.32 -1.93 0.31 116.42 126.11 1ip9 h ASP 67 Ca -0.29 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.50 1ip9 h ASP 67 Cb 1.17 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.75 1ip9 h ASP 67 CO 0.39 0.00 -1.15 0.28 -1.72 0.00 0.00 179.24 177.04 1ip9 h SER 68 N 0.00 0.61 -0.66 6.45 0.02 -1.96 -1.44 113.55 116.56 1ip9 h SER 68 Ca 0.05 -0.93 -0.03 0.00 -0.84 0.00 0.00 61.79 60.04 1ip9 h SER 68 Cb 1.22 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.53 1ip9 h SER 68 CO -0.00 1.55 0.29 1.56 -1.14 0.00 0.00 176.83 179.09 1ip9 h GLN 69 N -0.16 0.99 -0.04 3.45 1.08 -0.79 0.16 115.11 119.80 1ip9 h GLN 69 Ca -0.21 -0.16 -0.05 0.00 -1.45 0.00 0.00 58.65 56.79 1ip9 h GLN 69 Cb 1.86 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 29.12 1ip9 h GLN 69 CO 0.19 0.80 -0.16 0.28 -0.95 0.00 0.00 178.83 178.99 1ip9 h VAL 70 N 0.98 1.47 0.00 -0.54 2.07 -1.48 -1.13 116.25 117.62 1ip9 h VAL 70 Ca 0.23 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1ip9 h VAL 70 Cb 0.16 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1ip9 h VAL 70 CO -0.02 0.45 0.00 0.28 0.02 0.00 0.00 177.57 178.29 1ip9 h SER 71 N -0.40 0.00 0.10 0.57 0.02 -1.02 0.34 113.55 113.16 1ip9 h SER 71 Ca -0.01 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.73 1ip9 h SER 71 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1ip9 h SER 71 CO 0.03 0.00 -1.01 -1.13 -1.14 0.00 0.00 176.83 173.58 1ip9 h ASN 72 N 0.00 0.33 0.47 3.07 -0.73 -0.43 -1.36 115.58 116.94 1ip9 h ASN 72 Ca 0.00 -0.88 0.00 0.00 1.87 0.00 0.00 56.30 57.29 1ip9 h ASN 72 Cb 0.16 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.64 1ip9 h ASN 72 CO 0.00 1.45 0.00 0.40 -0.37 0.00 0.00 177.43 178.91 1ip9 h ILE 73 N -0.47 0.00 0.03 2.57 5.03 -0.02 0.24 117.51 124.89 1ip9 h ILE 73 Ca -0.21 -0.18 -0.05 0.00 -0.12 0.00 0.00 64.86 64.30 1ip9 h ILE 73 Cb 1.59 0.93 0.01 0.00 -3.03 0.00 0.00 36.82 36.31 1ip9 h ILE 73 CO 0.06 0.00 -0.20 0.40 -0.68 0.00 0.00 178.15 177.73 1ip9 h ILE 74 N 0.00 1.69 0.00 -0.67 2.04 -0.23 0.21 117.51 120.55 1ip9 h ILE 74 Ca 0.00 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.58 1ip9 h ILE 74 Cb 0.24 3.22 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 1ip9 h ILE 74 CO 0.00 0.61 -0.08 0.00 0.00 0.00 0.00 178.15 178.68 1ip9 n GLN 75 N -4.51 0.13 -0.01 2.37 6.02 -0.53 -3.44 117.38 117.42 1ip9 n GLN 75 Ca -0.11 0.09 0.01 0.00 -0.01 0.00 0.00 57.00 56.99 1ip9 n GLN 75 Cb 0.54 -1.64 0.01 0.00 1.02 0.00 0.00 30.24 30.18 1ip9 n GLN 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ip9 n ALA 76 N -1.64 2.43 -3.55 -1.58 0.00 0.80 -5.04 120.51 111.93 1ip9 n ALA 76 Ca 0.06 -0.60 -0.36 0.00 0.00 0.00 0.00 53.44 52.54 1ip9 n ALA 76 Cb 0.38 -0.09 0.03 0.00 0.00 0.00 0.00 19.45 19.77 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 0.09 -1.87 -4.23 0.00 4.81 0.70 -4.92 118.16 112.74 1ip9 n LYS 77 Ca 0.02 1.33 -0.35 0.00 -0.87 0.00 0.00 58.31 58.44 1ip9 n LYS 77 Cb 0.10 -2.17 -0.10 0.00 0.02 0.00 0.00 35.03 32.88 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 -2.91 3.67 0.16 3.14 2.01 -0.93 -5.03 118.68 118.80 1ip9 s LEU 78 Ca 0.32 0.11 -0.31 0.00 0.01 0.00 0.00 54.13 54.26 1ip9 s LEU 78 Cb -0.03 -1.88 -0.09 0.00 0.01 0.00 0.00 46.19 44.19 1ip9 s LEU 78 CO 0.88 0.29 1.49 -0.54 1.01 0.00 0.00 176.35 179.48 1ip9 s LYS 79 N -0.34 4.26 0.06 1.70 1.02 -1.26 -4.57 119.74 120.61 1ip9 s LYS 79 Ca 0.08 2.26 0.01 0.00 0.02 0.00 0.00 55.97 58.33 1ip9 s LYS 79 Cb -0.12 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 33.97 1ip9 s LYS 79 CO 0.02 -0.52 0.17 0.42 -0.92 0.00 0.00 175.35 174.51 1ip9 s ILE 80 N 0.97 5.11 -0.09 2.17 -1.09 -0.21 0.29 121.20 128.35 1ip9 s ILE 80 Ca 0.67 -0.50 0.03 0.00 -2.23 0.00 0.00 60.65 58.62 1ip9 s ILE 80 Cb -0.41 -3.48 -0.01 0.00 -1.58 0.00 0.00 42.46 36.97 1ip9 s ILE 80 CO 0.32 0.15 -0.17 -0.44 -1.23 0.00 0.00 174.94 173.57 1ip9 s SER 81 N -2.43 3.69 -0.13 3.58 0.01 -0.36 0.21 113.70 118.28 1ip9 s SER 81 Ca 0.33 -0.37 -0.01 0.00 1.31 0.00 0.00 55.95 57.21 1ip9 s SER 81 Cb -0.13 -1.24 -0.02 0.00 0.21 0.00 0.00 66.02 64.84 1ip9 s SER 81 CO 0.25 0.22 -0.10 -0.69 0.41 0.00 0.00 173.24 173.34 1ip9 s VAL 82 N -0.01 3.38 0.27 3.43 1.01 -0.62 -1.68 120.40 126.18 1ip9 s VAL 82 Ca -0.05 -0.55 0.12 0.00 0.00 0.00 0.00 61.98 61.49 1ip9 s VAL 82 Cb -0.14 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 1ip9 s VAL 82 CO 0.04 0.52 -0.18 -1.00 0.00 0.00 0.00 175.10 174.49 1ip9 s HIS 83 N 0.21 2.33 -0.08 5.22 3.76 -0.46 -2.22 115.29 124.06 1ip9 s HIS 83 Ca -0.06 -0.32 -0.13 0.00 -0.15 0.00 0.00 55.06 54.40 1ip9 s HIS 83 Cb -0.15 -1.02 -0.05 0.00 1.11 0.00 0.00 32.58 32.47 1ip9 s HIS 83 CO 0.04 0.70 0.31 -0.51 -0.85 0.00 0.00 174.74 174.43 1ip9 s ASP 84 N -3.48 6.60 0.00 1.40 1.01 -1.26 -1.35 116.67 119.59 1ip9 s ASP 84 Ca 0.30 0.71 0.00 0.00 0.71 0.00 0.00 52.55 54.27 1ip9 s ASP 84 Cb -0.05 -2.19 0.00 0.00 1.01 0.00 0.00 42.92 41.69 1ip9 s ASP 84 CO 0.15 0.28 0.00 2.30 0.21 0.00 0.00 175.17 178.11