#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 2.53 0.30 3.42 -4.77 -1.26 -2.34 116.67 114.54 1nd9 s ASP 3 Ca 0.00 -0.41 0.00 0.00 -3.30 0.00 0.00 52.55 48.84 1nd9 s ASP 3 Cb 0.00 -0.60 -0.02 0.00 -1.09 0.00 0.00 42.92 41.21 1nd9 s ASP 3 CO 0.00 0.21 0.33 -0.69 0.70 0.00 0.00 175.17 175.71 1nd9 s VAL 4 N -0.16 0.00 -0.15 2.11 1.01 -1.00 -4.96 120.40 117.25 1nd9 s VAL 4 Ca -0.01 -1.81 -0.25 0.00 0.00 0.00 0.00 61.98 59.91 1nd9 s VAL 4 Cb -0.11 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1nd9 s VAL 4 CO 0.02 0.00 0.81 0.42 0.00 0.00 0.00 175.10 176.35 1nd9 s THR 5 N -3.55 4.91 0.49 3.92 -4.23 -1.26 -1.13 115.64 114.79 1nd9 s THR 5 Ca 0.35 1.61 -0.22 0.00 -1.18 0.00 0.00 61.69 62.25 1nd9 s THR 5 Cb 0.02 -4.12 -0.09 0.00 1.34 0.00 0.00 72.50 69.65 1nd9 s THR 5 CO 0.20 0.07 0.91 0.00 -0.54 0.00 0.00 174.62 175.25 1nd9 n ILE 6 N 4.56 2.72 0.00 2.99 0.00 -1.03 -3.27 119.36 125.34 1nd9 n ILE 6 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 62.75 62.28 1nd9 n ILE 6 Cb 0.49 -1.06 0.00 0.00 0.00 0.00 0.00 39.64 39.08 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 -0.17 0.00 -0.18 9.51 0.00 -1.26 -2.98 118.16 123.08 1nd9 n LYS 7 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.38 1nd9 n LYS 7 Cb 0.43 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.52 1nd9 n LYS 7 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1nd9 h THR 8 N 0.00 0.96 -0.13 3.15 1.35 -1.99 0.67 112.91 116.92 1nd9 h THR 8 Ca 0.00 -0.19 -0.06 0.00 -0.55 0.00 0.00 66.41 65.61 1nd9 h THR 8 Cb 0.00 0.36 -0.00 0.00 -1.73 0.00 0.00 68.15 66.78 1nd9 h THR 8 CO 0.00 0.10 -0.17 0.25 -0.25 0.00 0.00 175.52 175.45 1nd9 h LEU 9 N 0.54 0.37 -0.67 3.87 5.85 -1.82 -1.83 115.31 121.61 1nd9 h LEU 9 Ca 0.24 -0.51 0.13 0.00 0.84 0.00 0.00 57.88 58.59 1nd9 h LEU 9 Cb 0.15 -0.10 -0.13 0.00 0.37 0.00 0.00 40.66 40.95 1nd9 h LEU 9 CO -0.17 0.81 -0.17 0.00 -0.34 0.00 0.00 178.44 178.57 1nd9 h ALA 10 N 0.57 0.45 -0.08 1.25 0.00 -1.47 0.69 119.26 120.67 1nd9 h ALA 10 Ca 0.01 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1nd9 h ALA 10 Cb 0.72 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1nd9 h ALA 10 CO 0.04 -0.42 0.01 0.00 0.00 0.00 0.00 179.25 178.88 1nd9 h ALA 11 N 1.67 0.11 -0.18 0.00 0.00 0.30 -2.55 119.26 118.61 1nd9 h ALA 11 Ca 0.32 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1nd9 h ALA 11 Cb 0.49 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1nd9 h ALA 11 CO -0.69 -0.23 -0.10 -1.91 0.00 0.00 0.00 179.25 176.31 1nd9 n GLU 12 N -4.86 -0.08 -0.02 0.00 2.13 0.21 -0.76 120.64 117.26 1nd9 n GLU 12 Ca -0.06 0.62 -0.13 0.00 0.66 0.00 0.00 57.16 58.25 1nd9 n GLU 12 Cb 0.18 -0.92 -0.10 0.00 0.27 0.00 0.00 31.44 30.87 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 0.05 -3.01 5.31 -0.00 -1.59 -3.50 114.38 111.64 1nd9 h ARG 13 Ca 0.03 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1nd9 h ARG 13 Cb 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.03 1nd9 h ARG 13 CO -0.17 0.54 -0.20 0.94 0.00 0.00 0.00 179.97 181.09 1nd9 n GLN 14 N -4.80 -0.68 -0.97 0.04 0.00 0.06 -4.58 117.38 106.45 1nd9 n GLN 14 Ca -0.08 0.93 0.00 0.00 -0.00 0.00 0.00 57.00 57.85 1nd9 n GLN 14 Cb 0.28 -1.43 0.00 0.00 0.00 0.00 0.00 30.24 29.08 1nd9 n GLN 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1nd9 n THR 15 N 0.25 0.00 0.00 1.69 -1.04 -1.26 -4.89 114.28 109.03 1nd9 n THR 15 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1nd9 n THR 15 Cb 0.07 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 1nd9 n THR 15 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1nd9 n SER 16 N -0.02 0.00 -0.19 8.00 2.88 -1.26 -4.64 113.62 118.39 1nd9 n SER 16 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1nd9 n SER 16 Cb 0.01 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.54 1nd9 n SER 16 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1nd9 h VAL 17 N 0.00 0.48 -0.41 2.46 3.04 -1.86 0.33 116.25 120.29 1nd9 h VAL 17 Ca 0.00 -0.02 0.08 0.00 -1.01 0.00 0.00 66.70 65.75 1nd9 h VAL 17 Cb 0.00 0.42 -0.09 0.00 -2.01 0.00 0.00 31.29 29.61 1nd9 h VAL 17 CO 0.00 0.01 -0.30 -0.08 -1.01 0.00 0.00 177.57 176.19 1nd9 h GLU 18 N 0.05 -0.22 -0.68 4.17 4.81 -1.79 0.39 114.58 121.32 1nd9 h GLU 18 Ca 0.29 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.67 1nd9 h GLU 18 Cb 0.45 0.05 -0.10 0.00 0.63 0.00 0.00 28.75 29.78 1nd9 h GLU 18 CO -0.54 -0.15 0.16 -0.09 -0.73 0.00 0.00 179.01 177.67 1nd9 h ARG 19 N -0.23 0.26 -0.30 1.92 2.43 -1.31 -0.88 114.38 116.27 1nd9 h ARG 19 Ca 0.18 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1nd9 h ARG 19 Cb 0.52 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 1nd9 h ARG 19 CO -0.54 0.18 0.05 -0.07 -1.51 0.00 0.00 179.97 178.08 1nd9 h LEU 20 N 0.27 -0.01 -0.67 3.80 3.38 0.34 -2.44 115.31 119.99 1nd9 h LEU 20 Ca 0.37 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.54 1nd9 h LEU 20 Cb 0.60 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.31 1nd9 h LEU 20 CO -0.47 0.03 -0.01 0.58 0.09 0.00 0.00 178.44 178.67 1nd9 h VAL 21 N 0.16 0.43 0.00 1.22 2.07 0.70 0.29 116.25 121.13 1nd9 h VAL 21 Ca 0.14 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1nd9 h VAL 21 Cb 0.16 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1nd9 h VAL 21 CO -0.20 0.02 0.00 1.67 0.02 0.00 0.00 177.57 179.08 1nd9 n GLN 22 N -5.31 0.00 -0.20 1.57 -0.06 -0.94 -1.27 117.38 111.17 1nd9 n GLN 22 Ca 0.10 0.48 0.00 0.00 -2.00 0.00 0.00 57.00 55.58 1nd9 n GLN 22 Cb 0.39 -1.37 0.08 0.00 -4.06 0.00 0.00 30.24 25.29 1nd9 n GLN 22 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 1nd9 h GLN 23 N 0.00 0.07 -0.78 3.69 1.08 -1.46 0.27 115.11 117.98 1nd9 h GLN 23 Ca 0.00 -0.00 0.15 0.00 -1.45 0.00 0.00 58.65 57.34 1nd9 h GLN 23 Cb 0.00 -0.02 -0.10 0.00 -0.05 0.00 0.00 27.48 27.32 1nd9 h GLN 23 CO 0.00 0.04 0.33 0.74 -0.95 0.00 0.00 178.83 178.99 1nd9 h PHE 24 N 0.07 0.56 -0.84 2.96 -1.00 -0.49 0.46 116.94 118.66 1nd9 h PHE 24 Ca 0.31 0.04 0.21 0.00 2.81 0.00 0.00 57.97 61.33 1nd9 h PHE 24 Cb 0.49 -0.13 -0.14 0.00 3.61 0.00 0.00 35.95 39.78 1nd9 h PHE 24 CO -0.41 0.07 0.08 0.00 -1.61 0.00 0.00 178.31 176.44 1nd9 h ALA 25 N 1.56 1.00 -0.05 2.45 0.00 0.46 2.28 119.26 126.95 1nd9 h ALA 25 Ca 0.43 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.59 1nd9 h ALA 25 Cb 0.66 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1nd9 h ALA 25 CO -0.41 -0.46 0.02 0.22 0.00 0.00 0.00 179.25 178.63 1nd9 h ASP 26 N 0.12 0.07 0.00 0.00 3.58 -0.11 -3.30 116.42 116.79 1nd9 h ASP 26 Ca 0.49 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.80 1nd9 h ASP 26 Cb 0.93 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.96 1nd9 h ASP 26 CO -0.71 0.19 0.00 0.00 -2.88 0.00 0.00 179.24 175.83 1nd9 n ALA 27 N -2.18 -0.12 0.00 -0.78 0.00 0.70 -4.84 120.51 113.29 1nd9 n ALA 27 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1nd9 n ALA 27 Cb 0.09 0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.97 0.00 2.65 0.00 0.00 0.25 -5.05 105.19 102.07 1nd9 n GLY 28 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.42 -0.61 -0.00 -0.91 -5.00 119.36 110.42 1nd9 n ILE 29 Ca 0.00 -1.97 -0.34 0.00 -0.00 0.00 0.00 62.75 60.44 1nd9 n ILE 29 Cb 0.00 1.00 -0.02 0.00 -0.00 0.00 0.00 39.64 40.61 1nd9 n ILE 29 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 1nd9 s ARG 30 N -3.08 3.69 0.56 0.38 1.81 -1.26 -3.74 118.95 117.30 1nd9 s ARG 30 Ca 0.32 1.30 -0.06 0.00 -1.72 0.00 0.00 55.73 55.58 1nd9 s ARG 30 Cb 0.01 -2.08 -0.01 0.00 -0.45 0.00 0.00 34.95 32.43 1nd9 s ARG 30 CO 0.23 -0.51 0.86 0.21 -0.68 0.00 0.00 175.30 175.41 1nd9 s LYS 31 N -3.48 3.12 0.69 3.54 2.20 -1.14 -3.83 119.74 120.84 1nd9 s LYS 31 Ca 0.66 0.06 -0.01 0.00 -0.36 0.00 0.00 55.97 56.32 1nd9 s LYS 31 Cb -0.16 -2.30 0.10 0.00 -1.51 0.00 0.00 37.83 33.96 1nd9 s LYS 31 CO 0.25 -0.54 0.95 0.45 -0.36 0.00 0.00 175.35 176.09 1nd9 s SER 32 N -4.24 4.56 0.00 1.43 0.15 -1.21 -3.92 113.70 110.48 1nd9 s SER 32 Ca 0.52 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.95 1nd9 s SER 32 Cb -0.10 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 1nd9 s SER 32 CO 0.45 -1.70 0.00 0.00 1.20 0.00 0.00 173.24 173.19 1nd9 n ALA 33 N -2.74 0.00 -2.35 5.45 0.00 -1.26 -4.88 120.51 114.73 1nd9 n ALA 33 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.56 1nd9 n ALA 33 Cb 0.60 -0.06 -0.01 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.01 -8.45 0.00 0.00 -0.08 -1.26 -5.01 116.55 101.75 1nd9 n ASP 34 Ca 0.00 1.78 0.00 0.00 -1.51 0.00 0.00 54.79 55.06 1nd9 n ASP 34 Cb 0.06 -5.16 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 0.47 0.12 0.00 0.00 177.20 177.79 1nd9 n ASP 35 N 1.79 0.00 -4.28 1.67 9.92 -1.16 -4.96 116.55 119.53 1nd9 n ASP 35 Ca -0.05 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.90 1nd9 n ASP 35 Cb 0.07 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.39 1nd9 n ASP 35 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1nd9 s SER 36 N -4.00 3.11 0.15 -2.24 0.01 -1.25 -2.45 113.70 107.02 1nd9 s SER 36 Ca 0.00 -0.50 -0.01 0.00 1.31 0.00 0.00 55.95 56.75 1nd9 s SER 36 Cb 0.00 -0.81 -0.04 0.00 0.21 0.00 0.00 66.02 65.38 1nd9 s SER 36 CO 0.00 0.25 0.08 0.54 0.41 0.00 0.00 173.24 174.53 1nd9 s VAL 37 N -0.21 0.07 -0.13 3.43 0.11 -0.29 -2.87 120.40 120.51 1nd9 s VAL 37 Ca -0.02 -1.92 0.01 0.00 -2.93 0.00 0.00 61.98 57.12 1nd9 s VAL 37 Cb -0.13 -2.17 0.02 0.00 -1.53 0.00 0.00 36.38 32.56 1nd9 s VAL 37 CO 0.03 -0.33 -0.15 -0.44 -3.33 0.00 0.00 175.10 170.88 1nd9 s SER 38 N -3.08 2.60 0.38 3.54 0.01 -1.26 -2.37 113.70 113.53 1nd9 s SER 38 Ca 0.28 -0.47 -0.10 0.00 1.31 0.00 0.00 55.95 56.98 1nd9 s SER 38 Cb 0.07 -1.16 -0.06 0.00 0.21 0.00 0.00 66.02 65.08 1nd9 s SER 38 CO 0.05 -0.01 0.73 0.00 0.41 0.00 0.00 173.24 174.43 1nd9 s ALA 39 N 1.16 3.39 0.00 1.44 0.00 -0.99 -3.77 121.76 122.99 1nd9 s ALA 39 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1nd9 s ALA 39 Cb -0.14 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.34 1nd9 s ALA 39 CO -0.05 0.03 0.00 1.04 0.00 0.00 0.00 175.76 176.78 1nd9 n GLN 40 N -1.23 -0.45 0.21 0.00 6.02 -1.26 -4.61 117.38 116.07 1nd9 n GLN 40 Ca 0.02 0.11 0.11 0.00 -0.01 0.00 0.00 57.00 57.23 1nd9 n GLN 40 Cb 0.54 -3.45 0.24 0.00 1.02 0.00 0.00 30.24 28.59 1nd9 n GLN 40 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1nd9 h GLU 41 N 0.85 0.00 -0.65 -1.09 3.07 -1.94 -3.35 114.58 111.47 1nd9 h GLU 41 Ca 0.00 0.00 0.23 0.00 -0.50 0.00 0.00 59.36 59.09 1nd9 h GLU 41 Cb 0.22 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.07 1nd9 h GLU 41 CO 0.00 0.11 0.42 0.36 -1.40 0.00 0.00 179.01 178.50 1nd9 n LYS 42 N -3.14 -0.02 0.13 2.33 2.85 -1.26 0.42 118.16 119.47 1nd9 n LYS 42 Ca 0.03 0.59 -0.13 0.00 -1.05 0.00 0.00 58.31 57.75 1nd9 n LYS 42 Cb 0.53 -1.17 -0.06 0.00 -0.65 0.00 0.00 35.03 33.68 1nd9 n LYS 42 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1nd9 h GLN 43 N 0.00 -0.51 -0.73 -1.58 4.20 -2.00 -2.86 115.11 111.63 1nd9 h GLN 43 Ca 0.42 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.14 1nd9 h GLN 43 Cb 1.34 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 29.20 1nd9 h GLN 43 CO -0.22 -0.34 0.37 1.15 -0.67 0.00 0.00 178.83 179.12 1nd9 h THR 44 N -0.53 1.23 -0.77 -0.54 2.02 -0.36 -3.02 112.91 110.95 1nd9 h THR 44 Ca 0.02 -0.63 0.16 0.00 0.77 0.00 0.00 66.41 66.73 1nd9 h THR 44 Cb 0.54 0.31 -0.14 0.00 -1.74 0.00 0.00 68.15 67.11 1nd9 h THR 44 CO -0.14 0.27 -0.12 0.25 0.37 0.00 0.00 175.52 176.15 1nd9 h LEU 45 N 1.02 -0.58 -0.66 2.58 7.12 -1.46 2.82 115.31 126.15 1nd9 h LEU 45 Ca 0.25 0.22 0.14 0.00 0.13 0.00 0.00 57.88 58.62 1nd9 h LEU 45 Cb 0.09 0.43 -0.10 0.00 -0.53 0.00 0.00 40.66 40.55 1nd9 h LEU 45 CO -0.03 -0.23 0.10 0.40 -0.13 0.00 0.00 178.44 178.54 1nd9 h ILE 46 N 0.03 0.54 -0.47 4.05 1.08 -1.48 0.19 117.51 121.45 1nd9 h ILE 46 Ca 0.39 -0.07 0.10 0.00 -0.39 0.00 0.00 64.86 64.89 1nd9 h ILE 46 Cb 0.65 0.31 -0.09 0.00 -3.07 0.00 0.00 36.82 34.61 1nd9 h ILE 46 CO -0.75 0.04 -0.17 -0.78 -0.69 0.00 0.00 178.15 175.79 1nd9 h ASP 47 N 0.21 -0.61 -0.54 1.72 1.82 0.49 -1.01 116.42 118.50 1nd9 h ASP 47 Ca 0.35 0.16 0.11 0.00 -0.39 0.00 0.00 57.03 57.26 1nd9 h ASP 47 Cb 0.58 0.36 -0.10 0.00 0.68 0.00 0.00 39.33 40.84 1nd9 h ASP 47 CO -0.49 -0.21 -0.10 0.45 -1.61 0.00 0.00 179.24 177.29 1nd9 h HIS 48 N -0.07 -0.21 0.01 0.28 3.86 0.11 -2.94 115.15 116.20 1nd9 h HIS 48 Ca 0.23 0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.48 1nd9 h HIS 48 Cb 0.41 0.18 -0.00 0.00 1.06 0.00 0.00 27.41 29.06 1nd9 h HIS 48 CO -0.45 -0.21 -0.01 -0.07 0.86 0.00 0.00 177.93 178.06 1nd9 h LEU 49 N 0.03 -0.02 0.00 2.43 -0.00 -0.85 -3.52 115.31 113.38 1nd9 h LEU 49 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.15 1nd9 h LEU 49 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 1nd9 h LEU 49 CO -0.53 -0.01 0.00 0.59 -0.00 0.00 0.00 178.44 178.49