#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nd9 s ASP 3 N 0.00 3.09 0.30 1.09 -1.08 -1.26 -1.79 116.67 117.01 1nd9 s ASP 3 Ca 0.00 -0.58 0.00 0.00 -0.52 0.00 0.00 52.55 51.45 1nd9 s ASP 3 Cb 0.00 -1.42 -0.02 0.00 -1.46 0.00 0.00 42.92 40.02 1nd9 s ASP 3 CO 0.00 0.11 0.33 -0.69 0.52 0.00 0.00 175.17 175.44 1nd9 s VAL 4 N 0.64 0.00 -0.17 1.11 1.01 -1.10 -4.99 120.40 116.91 1nd9 s VAL 4 Ca -0.11 -1.82 -0.23 0.00 0.00 0.00 0.00 61.98 59.82 1nd9 s VAL 4 Cb -0.16 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1nd9 s VAL 4 CO 0.02 0.00 0.70 0.42 0.00 0.00 0.00 175.10 176.25 1nd9 s THR 5 N -3.52 4.98 0.62 3.92 -4.23 -1.26 -1.12 115.64 115.03 1nd9 s THR 5 Ca 0.35 1.37 -0.18 0.00 -1.18 0.00 0.00 61.69 62.06 1nd9 s THR 5 Cb 0.02 -4.02 -0.06 0.00 1.34 0.00 0.00 72.50 69.78 1nd9 s THR 5 CO 0.20 0.11 0.68 0.00 -0.54 0.00 0.00 174.62 175.07 1nd9 n ILE 6 N 4.56 2.69 0.00 2.99 0.00 -1.01 -2.83 119.36 125.76 1nd9 n ILE 6 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 62.75 62.28 1nd9 n ILE 6 Cb 0.50 -0.85 0.00 0.00 0.00 0.00 0.00 39.64 39.28 1nd9 n ILE 6 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1nd9 n LYS 7 N -0.58 0.00 -0.15 9.51 0.00 -1.26 -2.99 118.16 122.69 1nd9 n LYS 7 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.37 1nd9 n LYS 7 Cb 0.48 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.54 1nd9 n LYS 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1nd9 h THR 8 N 0.00 1.02 -0.11 3.15 2.02 -1.97 1.07 112.91 118.09 1nd9 h THR 8 Ca 0.00 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 1nd9 h THR 8 Cb 0.00 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1nd9 h THR 8 CO 0.00 0.09 -0.18 0.25 0.37 0.00 0.00 175.52 176.05 1nd9 h LEU 9 N 0.51 0.34 -0.69 2.58 6.46 -1.77 -2.10 115.31 120.65 1nd9 h LEU 9 Ca 0.19 -0.54 0.14 0.00 -0.12 0.00 0.00 57.88 57.55 1nd9 h LEU 9 Cb 0.04 -0.10 -0.13 0.00 -0.73 0.00 0.00 40.66 39.75 1nd9 h LEU 9 CO -0.10 0.82 -0.14 0.00 -0.62 0.00 0.00 178.44 178.40 1nd9 h ALA 10 N 0.53 0.50 -0.13 1.25 0.00 -1.53 0.37 119.26 120.26 1nd9 h ALA 10 Ca 0.01 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1nd9 h ALA 10 Cb 0.75 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1nd9 h ALA 10 CO 0.04 -0.42 0.07 0.00 0.00 0.00 0.00 179.25 178.94 1nd9 h ALA 11 N 1.68 0.17 -0.05 0.00 0.00 0.11 -1.53 119.26 119.65 1nd9 h ALA 11 Ca 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1nd9 h ALA 11 Cb 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1nd9 h ALA 11 CO -0.69 -0.28 0.00 -1.91 0.00 0.00 0.00 179.25 176.37 1nd9 n GLU 12 N -4.94 0.00 -0.02 0.00 2.13 0.13 -1.26 120.64 116.68 1nd9 n GLU 12 Ca -0.05 0.57 -0.13 0.00 0.66 0.00 0.00 57.16 58.21 1nd9 n GLU 12 Cb 0.08 -0.85 -0.09 0.00 0.27 0.00 0.00 31.44 30.84 1nd9 n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nd9 h ARG 13 N 0.00 0.07 0.00 5.31 2.47 -1.54 -3.47 114.38 117.22 1nd9 h ARG 13 Ca 0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1nd9 h ARG 13 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1nd9 h ARG 13 CO 0.00 0.56 0.00 0.94 0.56 0.00 0.00 179.97 182.03 1nd9 n GLN 14 N -4.78 0.00 -0.05 0.04 -0.06 -0.39 -4.44 117.38 107.70 1nd9 n GLN 14 Ca -0.08 0.00 0.01 0.00 -2.00 0.00 0.00 57.00 54.92 1nd9 n GLN 14 Cb 0.29 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.47 1nd9 n GLN 14 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 1nd9 n THR 15 N 0.00 0.41 0.00 1.69 -1.04 -1.26 -4.85 114.28 109.23 1nd9 n THR 15 Ca 0.00 -0.43 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 1nd9 n THR 15 Cb 0.00 0.73 0.00 0.00 -1.82 0.00 0.00 70.33 69.24 1nd9 n THR 15 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1nd9 n SER 16 N -0.23 0.00 -0.17 8.00 7.64 -1.26 -4.82 113.62 122.77 1nd9 n SER 16 Ca 0.01 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.87 1nd9 n SER 16 Cb 0.45 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.70 1nd9 n SER 16 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1nd9 h VAL 17 N 0.00 0.50 -0.13 0.44 3.04 -1.85 0.36 116.25 118.61 1nd9 h VAL 17 Ca 0.00 -0.01 0.03 0.00 -1.01 0.00 0.00 66.70 65.71 1nd9 h VAL 17 Cb 0.00 0.46 -0.06 0.00 -2.01 0.00 0.00 31.29 29.68 1nd9 h VAL 17 CO 0.00 0.01 -0.53 -0.08 -1.01 0.00 0.00 177.57 175.95 1nd9 h GLU 18 N 0.04 -0.55 -0.68 4.17 4.81 -1.76 0.16 114.58 120.77 1nd9 h GLU 18 Ca 0.26 0.04 0.14 0.00 -0.13 0.00 0.00 59.36 59.67 1nd9 h GLU 18 Cb 0.41 0.13 -0.10 0.00 0.63 0.00 0.00 28.75 29.82 1nd9 h GLU 18 CO -0.52 -0.37 0.15 -0.09 -0.73 0.00 0.00 179.01 177.46 1nd9 h ARG 19 N -0.57 0.26 -0.29 1.92 9.65 -1.72 -1.52 114.38 122.11 1nd9 h ARG 19 Ca 0.03 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 58.94 1nd9 h ARG 19 Cb 0.67 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.15 1nd9 h ARG 19 CO -0.43 0.17 0.03 1.37 2.80 0.00 0.00 179.97 183.91 1nd9 h LEU 20 N 0.27 -0.06 -0.58 3.80 8.10 0.14 -2.53 115.31 124.45 1nd9 h LEU 20 Ca 0.37 0.06 0.12 0.00 0.11 0.00 0.00 57.88 58.53 1nd9 h LEU 20 Cb 0.59 0.09 -0.10 0.00 -0.44 0.00 0.00 40.66 40.80 1nd9 h LEU 20 CO -0.46 0.01 -0.04 0.58 -4.11 0.00 0.00 178.44 174.41 1nd9 h VAL 21 N 0.12 0.49 0.00 0.15 2.07 0.32 0.11 116.25 119.51 1nd9 h VAL 21 Ca 0.14 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1nd9 h VAL 21 Cb 0.17 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1nd9 h VAL 21 CO -0.21 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.40 1nd9 n GLN 22 N -5.31 0.00 -0.23 1.57 6.02 -0.97 -1.10 117.38 117.36 1nd9 n GLN 22 Ca 0.07 0.48 0.03 0.00 -0.01 0.00 0.00 57.00 57.57 1nd9 n GLN 22 Cb 0.32 -1.45 0.13 0.00 1.02 0.00 0.00 30.24 30.26 1nd9 n GLN 22 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1nd9 h GLN 23 N 0.00 0.15 -0.78 -1.09 7.50 -1.50 0.61 115.11 120.00 1nd9 h GLN 23 Ca 0.00 -0.01 0.15 0.00 0.50 0.00 0.00 58.65 59.29 1nd9 h GLN 23 Cb 0.00 -0.03 -0.10 0.00 0.05 0.00 0.00 27.48 27.40 1nd9 h GLN 23 CO 0.00 0.10 0.32 0.74 -1.50 0.00 0.00 178.83 178.49 1nd9 h PHE 24 N 0.15 0.55 -0.82 2.96 -1.00 -0.80 0.72 116.94 118.69 1nd9 h PHE 24 Ca 0.37 0.04 0.20 0.00 2.81 0.00 0.00 57.97 61.38 1nd9 h PHE 24 Cb 0.61 -0.12 -0.14 0.00 3.61 0.00 0.00 35.95 39.91 1nd9 h PHE 24 CO -0.35 0.06 0.05 0.00 -1.61 0.00 0.00 178.31 176.47 1nd9 h ALA 25 N 1.56 0.95 -0.06 2.45 0.00 0.75 1.91 119.26 126.83 1nd9 h ALA 25 Ca 0.43 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.59 1nd9 h ALA 25 Cb 0.67 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1nd9 h ALA 25 CO -0.41 -0.45 0.02 0.22 0.00 0.00 0.00 179.25 178.62 1nd9 h ASP 26 N 0.11 0.09 0.00 0.00 3.58 0.34 -3.31 116.42 117.23 1nd9 h ASP 26 Ca 0.47 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1nd9 h ASP 26 Cb 0.89 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.91 1nd9 h ASP 26 CO -0.71 0.28 0.00 0.00 -2.88 0.00 0.00 179.24 175.93 1nd9 n ALA 27 N -2.22 -0.11 0.00 -0.78 0.00 0.58 -4.84 120.51 113.14 1nd9 n ALA 27 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1nd9 n ALA 27 Cb 0.14 0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1nd9 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nd9 n GLY 28 N -0.98 0.00 2.24 0.00 0.00 0.25 -5.05 105.19 101.66 1nd9 n GLY 28 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1nd9 n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nd9 n ILE 29 N 0.00 0.00 -2.49 -0.61 2.08 -0.84 -5.01 119.36 112.50 1nd9 n ILE 29 Ca 0.00 -1.66 -0.35 0.00 0.56 0.00 0.00 62.75 61.30 1nd9 n ILE 29 Cb 0.00 0.75 -0.03 0.00 -0.75 0.00 0.00 39.64 39.61 1nd9 n ILE 29 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1nd9 s ARG 30 N -2.98 3.78 0.57 0.38 1.81 -1.26 -4.00 118.95 117.25 1nd9 s ARG 30 Ca 0.23 1.45 -0.10 0.00 -1.72 0.00 0.00 55.73 55.58 1nd9 s ARG 30 Cb 0.01 -2.16 -0.04 0.00 -0.45 0.00 0.00 34.95 32.30 1nd9 s ARG 30 CO 0.16 -0.46 0.96 0.15 -0.68 0.00 0.00 175.30 175.43 1nd9 s LYS 31 N -3.10 3.63 0.68 3.54 1.02 -1.09 -3.87 119.74 120.55 1nd9 s LYS 31 Ca 0.67 0.64 0.00 0.00 0.02 0.00 0.00 55.97 57.29 1nd9 s LYS 31 Cb -0.19 -2.17 0.11 0.00 -0.52 0.00 0.00 37.83 35.06 1nd9 s LYS 31 CO 0.23 -0.43 0.94 -1.54 -0.92 0.00 0.00 175.35 173.63 1nd9 s SER 32 N -4.00 4.58 0.00 2.83 1.04 -1.24 -3.64 113.70 113.27 1nd9 s SER 32 Ca 0.54 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1nd9 s SER 32 Cb -0.11 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.84 1nd9 s SER 32 CO 0.48 -1.69 0.00 0.00 0.98 0.00 0.00 173.24 173.01 1nd9 n ALA 33 N -2.71 0.00 -2.51 5.32 0.00 -1.26 -4.81 120.51 114.54 1nd9 n ALA 33 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.54 1nd9 n ALA 33 Cb 0.60 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 1nd9 n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1nd9 n ASP 34 N -0.12 -3.97 0.00 0.00 -0.08 -1.25 -5.01 116.55 106.11 1nd9 n ASP 34 Ca 0.00 1.57 0.00 0.00 -1.51 0.00 0.00 54.79 54.85 1nd9 n ASP 34 Cb 0.20 -5.30 0.00 0.00 2.34 0.00 0.00 41.12 38.36 1nd9 n ASP 34 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1nd9 n ASP 35 N 1.78 0.00 -4.35 1.67 2.03 -1.16 -4.96 116.55 111.55 1nd9 n ASP 35 Ca -0.26 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.73 1nd9 n ASP 35 Cb 0.41 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.66 1nd9 n ASP 35 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1nd9 s SER 36 N -4.00 3.48 0.14 1.67 1.04 -1.24 -2.41 113.70 112.38 1nd9 s SER 36 Ca 0.00 -0.38 -0.01 0.00 0.48 0.00 0.00 55.95 56.04 1nd9 s SER 36 Cb 0.00 -0.83 -0.04 0.00 0.10 0.00 0.00 66.02 65.25 1nd9 s SER 36 CO 0.00 0.28 0.05 0.54 0.98 0.00 0.00 173.24 175.09 1nd9 s VAL 37 N -0.37 0.19 -0.14 5.02 0.11 -0.27 -2.67 120.40 122.27 1nd9 s VAL 37 Ca 0.03 -1.92 0.01 0.00 -2.93 0.00 0.00 61.98 57.17 1nd9 s VAL 37 Cb -0.12 -2.06 0.02 0.00 -1.53 0.00 0.00 36.38 32.69 1nd9 s VAL 37 CO 0.02 -0.47 -0.17 -0.55 -3.33 0.00 0.00 175.10 170.61 1nd9 s SER 38 N -3.07 2.72 0.43 3.54 0.15 -1.26 -2.70 113.70 113.51 1nd9 s SER 38 Ca 0.24 -0.50 -0.13 0.00 0.70 0.00 0.00 55.95 56.25 1nd9 s SER 38 Cb 0.07 -1.23 -0.07 0.00 -1.71 0.00 0.00 66.02 63.08 1nd9 s SER 38 CO 0.02 -0.00 0.85 0.00 1.20 0.00 0.00 173.24 175.31 1nd9 s ALA 39 N 1.17 3.24 -0.77 5.45 0.00 -0.74 -3.61 121.76 126.50 1nd9 s ALA 39 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1nd9 s ALA 39 Cb -0.14 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1nd9 s ALA 39 CO -0.06 -0.04 0.00 1.04 0.00 0.00 0.00 175.76 176.70 1nd9 n GLN 40 N -1.26 -0.99 0.01 0.00 6.02 -1.26 -4.83 117.38 115.07 1nd9 n GLN 40 Ca 0.04 0.67 0.08 0.00 -0.01 0.00 0.00 57.00 57.78 1nd9 n GLN 40 Cb 0.54 -4.63 -0.12 0.00 1.02 0.00 0.00 30.24 27.04 1nd9 n GLN 40 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1nd9 n GLU 41 N -1.81 0.65 -0.52 -1.09 -0.58 -1.24 -4.37 120.64 111.69 1nd9 n GLU 41 Ca -0.07 -0.07 0.40 0.00 -0.42 0.00 0.00 57.16 57.00 1nd9 n GLU 41 Cb 0.36 -1.61 0.64 0.00 -0.57 0.00 0.00 31.44 30.26 1nd9 n GLU 41 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1nd9 n LYS 42 N -2.45 -0.01 -0.22 3.49 0.00 -1.26 -0.16 118.16 117.55 1nd9 n LYS 42 Ca -0.07 0.97 -0.02 0.00 -0.00 0.00 0.00 58.31 59.20 1nd9 n LYS 42 Cb 0.65 -2.09 0.05 0.00 -0.00 0.00 0.00 35.03 33.64 1nd9 n LYS 42 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1nd9 h GLN 43 N 0.00 -0.05 -0.94 -1.58 4.15 -1.95 0.20 115.11 114.94 1nd9 h GLN 43 Ca 0.77 0.00 0.07 0.00 0.77 0.00 0.00 58.65 60.26 1nd9 h GLN 43 Cb 2.86 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 30.49 1nd9 h GLN 43 CO -0.17 -0.03 0.60 1.15 -1.93 0.00 0.00 178.83 178.45 1nd9 h THR 44 N -0.05 1.05 -0.78 2.39 2.02 -0.90 -2.56 112.91 114.08 1nd9 h THR 44 Ca 0.29 -0.37 0.17 0.00 0.77 0.00 0.00 66.41 67.27 1nd9 h THR 44 Cb 0.51 -0.11 -0.14 0.00 -1.74 0.00 0.00 68.15 66.66 1nd9 h THR 44 CO -0.68 0.19 -0.11 0.25 0.37 0.00 0.00 175.52 175.54 1nd9 h LEU 45 N 1.07 -0.58 -0.66 2.58 7.12 -0.70 3.01 115.31 127.15 1nd9 h LEU 45 Ca 0.42 0.22 0.14 0.00 0.13 0.00 0.00 57.88 58.79 1nd9 h LEU 45 Cb 0.21 0.43 -0.10 0.00 -0.53 0.00 0.00 40.66 40.67 1nd9 h LEU 45 CO -0.19 -0.24 0.09 0.40 -0.13 0.00 0.00 178.44 178.38 1nd9 h ILE 46 N 0.03 0.53 -0.41 4.05 2.04 -1.41 0.24 117.51 122.58 1nd9 h ILE 46 Ca 0.40 -0.07 0.09 0.00 1.00 0.00 0.00 64.86 66.28 1nd9 h ILE 46 Cb 0.66 0.31 -0.09 0.00 -0.74 0.00 0.00 36.82 36.96 1nd9 h ILE 46 CO -0.76 0.04 -0.21 -0.78 0.00 0.00 0.00 178.15 176.44 1nd9 h ASP 47 N 0.20 -0.71 -0.53 1.72 3.58 0.53 -1.26 116.42 119.96 1nd9 h ASP 47 Ca 0.36 0.16 0.11 0.00 0.42 0.00 0.00 57.03 58.07 1nd9 h ASP 47 Cb 0.58 0.38 -0.10 0.00 1.72 0.00 0.00 39.33 41.91 1nd9 h ASP 47 CO -0.50 -0.24 -0.11 0.45 -2.88 0.00 0.00 179.24 175.97 1nd9 h HIS 48 N -0.13 -0.23 0.01 0.28 3.86 0.12 -2.91 115.15 116.14 1nd9 h HIS 48 Ca 0.20 0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1nd9 h HIS 48 Cb 0.44 0.18 -0.00 0.00 1.06 0.00 0.00 27.41 29.10 1nd9 h HIS 48 CO -0.45 -0.21 -0.01 1.25 0.86 0.00 0.00 177.93 179.37 1nd9 h LEU 49 N 0.02 -0.02 0.00 2.43 5.85 -0.77 -3.52 115.31 119.30 1nd9 h LEU 49 Ca 0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1nd9 h LEU 49 Cb 0.40 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1nd9 h LEU 49 CO -0.53 -0.01 0.00 -3.20 -0.34 0.00 0.00 178.44 174.36