#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 2.21 0.29 1.09 1.01 -1.26 -2.21 116.67 117.80 1nd9 s ASP 3 Ca 0.00 -0.38 0.00 0.00 0.71 0.00 0.00 52.55 52.89 1nd9 s ASP 3 Cb 0.00 -0.87 -0.02 0.00 1.01 0.00 0.00 42.92 43.04 1nd9 s ASP 3 CO 0.00 0.11 0.32 -0.69 0.21 0.00 0.00 175.17 175.12 1nd9 s VAL 4 N 0.36 0.00 -0.16 -1.27 1.01 -1.08 -4.95 120.40 114.32 1nd9 s VAL 4 Ca -0.11 -1.82 -0.24 0.00 0.00 0.00 0.00 61.98 59.81 1nd9 s VAL 4 Cb -0.15 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1nd9 s VAL 4 CO 0.04 0.00 0.76 0.42 0.00 0.00 0.00 175.10 176.33 1nd9 s THR 5 N -3.57 4.94 0.79 3.92 -4.23 -1.26 -1.24 115.64 114.99 1nd9 s THR 5 Ca 0.35 1.50 -0.14 0.00 -1.18 0.00 0.00 61.69 62.22 1nd9 s THR 5 Cb 0.02 -4.08 0.04 0.00 1.34 0.00 0.00 72.50 69.82 1nd9 s THR 5 CO 0.19 0.09 0.95 0.00 -0.54 0.00 0.00 174.62 175.31 1nd9 n ILE 6 N 4.55 1.98 0.00 2.99 0.13 -1.01 -2.87 119.36 125.13 1nd9 n ILE 6 Ca 0.02 -0.28 0.00 0.00 -1.10 0.00 0.00 62.75 61.39 1nd9 n ILE 6 Cb 0.49 -1.04 0.00 0.00 -0.84 0.00 0.00 39.64 38.26 1nd9 n ILE 6 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 1nd9 n LYS 7 N -2.33 0.00 -0.27 9.51 0.00 -1.26 -2.97 118.16 120.84 1nd9 n LYS 7 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 58.31 58.44 1nd9 n LYS 7 Cb 0.50 0.00 0.14 0.00 0.00 0.00 0.00 35.03 35.67 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 0.93 -0.09 3.15 2.02 -1.99 0.91 112.91 117.84 1nd9 h THR 8 Ca 0.00 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 1nd9 h THR 8 Cb 0.00 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.52 1nd9 h THR 8 CO 0.00 0.14 -0.16 0.25 0.37 0.00 0.00 175.52 176.12 1nd9 h LEU 9 N 0.75 0.30 -0.67 2.58 5.85 -1.75 -1.97 115.31 120.40 1nd9 h LEU 9 Ca 0.36 -0.54 0.14 0.00 0.84 0.00 0.00 57.88 58.67 1nd9 h LEU 9 Cb 0.29 -0.08 -0.12 0.00 0.37 0.00 0.00 40.66 41.11 1nd9 h LEU 9 CO -0.22 0.78 -0.13 0.00 -0.34 0.00 0.00 178.44 178.52 1nd9 h ALA 10 N 0.52 0.49 -0.14 1.25 0.00 -1.27 0.37 119.26 120.48 1nd9 h ALA 10 Ca 0.01 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1nd9 h ALA 10 Cb 0.72 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1nd9 h ALA 10 CO 0.04 -0.42 0.08 0.00 0.00 0.00 0.00 179.25 178.95 1nd9 h ALA 11 N 1.66 0.18 -0.55 0.00 0.00 0.76 0.60 119.26 121.91 1nd9 h ALA 11 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1nd9 h ALA 11 Cb 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1nd9 h ALA 11 CO -0.67 -0.31 0.00 -1.91 0.00 0.00 0.00 179.25 176.36 1nd9 n GLU 12 N -4.96 0.00 -0.03 0.00 2.13 0.13 -1.60 120.64 116.31 1nd9 n GLU 12 Ca -0.04 0.63 -0.13 0.00 0.66 0.00 0.00 57.16 58.27 1nd9 n GLU 12 Cb 0.05 -0.99 -0.09 0.00 0.27 0.00 0.00 31.44 30.68 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 0.13 0.00 5.31 2.47 -1.47 -3.47 114.38 117.36 1nd9 h ARG 13 Ca 0.00 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1nd9 h ARG 13 Cb 0.00 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1nd9 h ARG 13 CO 0.00 0.63 0.00 0.94 0.56 0.00 0.00 179.97 182.10 1nd9 n GLN 14 N -4.71 0.00 -0.31 0.04 7.27 0.21 -4.23 117.38 115.65 1nd9 n GLN 14 Ca -0.08 0.00 0.08 0.00 0.07 0.00 0.00 57.00 57.07 1nd9 n GLN 14 Cb 0.32 0.00 0.24 0.00 2.41 0.00 0.00 30.24 33.21 1nd9 n GLN 14 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 1nd9 n THR 15 N 0.00 1.20 0.00 1.69 5.66 -1.26 -4.57 114.28 117.00 1nd9 n THR 15 Ca 0.00 -1.09 0.00 0.00 -3.05 0.00 0.00 64.05 59.91 1nd9 n THR 15 Cb 0.00 0.40 0.00 0.00 -1.55 0.00 0.00 70.33 69.18 1nd9 n THR 15 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1nd9 n SER 16 N 0.87 0.00 -0.17 1.09 7.64 -1.26 -4.84 113.62 116.96 1nd9 n SER 16 Ca 0.18 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.04 1nd9 n SER 16 Cb 0.58 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.83 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 -0.57 0.44 3.04 -1.86 0.44 116.25 118.24 1nd9 h VAL 17 Ca 0.00 -0.01 0.12 0.00 -1.01 0.00 0.00 66.70 65.80 1nd9 h VAL 17 Cb 0.00 0.48 -0.11 0.00 -2.01 0.00 0.00 31.29 29.65 1nd9 h VAL 17 CO 0.00 0.00 -0.11 -0.08 -1.01 0.00 0.00 177.57 176.37 1nd9 h GLU 18 N 0.02 0.02 -0.46 4.17 4.81 -1.79 0.27 114.58 121.62 1nd9 h GLU 18 Ca 0.25 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1nd9 h GLU 18 Cb 0.39 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1nd9 h GLU 18 CO -0.52 0.01 0.29 0.00 -0.73 0.00 0.00 179.01 178.07 1nd9 h ARG 19 N 0.02 0.62 -0.30 1.92 3.08 -1.52 -3.01 114.38 115.19 1nd9 h ARG 19 Ca 0.28 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.34 1nd9 h ARG 19 Cb 0.43 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 1nd9 h ARG 19 CO -0.57 0.43 -0.00 1.37 -1.07 0.00 0.00 179.97 180.13 1nd9 h LEU 20 N 0.62 -0.12 -0.41 3.04 8.10 0.29 -2.63 115.31 124.19 1nd9 h LEU 20 Ca 0.17 0.07 0.06 0.00 0.11 0.00 0.00 57.88 58.29 1nd9 h LEU 20 Cb -0.04 0.12 -0.06 0.00 -0.44 0.00 0.00 40.66 40.24 1nd9 h LEU 20 CO -0.03 -0.03 0.08 1.62 -4.11 0.00 0.00 178.44 175.97 1nd9 h VAL 21 N 0.09 0.79 0.01 0.15 3.04 -0.50 0.12 116.25 119.94 1nd9 h VAL 21 Ca 0.14 -0.07 -0.00 0.00 -1.01 0.00 0.00 66.70 65.76 1nd9 h VAL 21 Cb 0.19 0.55 -0.00 0.00 -2.01 0.00 0.00 31.29 30.03 1nd9 h VAL 21 CO -0.24 0.04 -0.01 1.56 -1.01 0.00 0.00 177.57 177.90 1nd9 h GLN 22 N 0.21 -0.03 -0.53 4.17 4.20 -1.39 0.71 115.11 122.45 1nd9 h GLN 22 Ca 0.20 0.00 0.11 0.00 0.06 0.00 0.00 58.65 59.02 1nd9 h GLN 22 Cb 0.24 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 27.93 1nd9 h GLN 22 CO -0.26 -0.02 -0.09 1.96 -0.67 0.00 0.00 178.83 179.75 1nd9 h GLN 23 N -0.03 0.03 -0.65 1.46 7.50 -1.51 -1.88 115.11 120.03 1nd9 h GLN 23 Ca -0.00 -0.00 0.11 0.00 0.50 0.00 0.00 58.65 59.25 1nd9 h GLN 23 Cb 0.02 -0.01 -0.08 0.00 0.05 0.00 0.00 27.48 27.47 1nd9 h GLN 23 CO -0.00 0.02 0.24 0.74 -1.50 0.00 0.00 178.83 178.33 1nd9 h PHE 24 N 0.03 0.42 -0.79 2.96 0.04 -0.83 0.49 116.94 119.25 1nd9 h PHE 24 Ca 0.26 0.03 0.19 0.00 2.80 0.00 0.00 57.97 61.25 1nd9 h PHE 24 Cb 0.41 -0.09 -0.14 0.00 2.20 0.00 0.00 35.95 38.33 1nd9 h PHE 24 CO -0.41 0.09 0.05 0.00 -0.60 0.00 0.00 178.31 177.44 1nd9 h ALA 25 N 1.46 0.90 -0.09 2.45 0.00 -0.00 1.58 119.26 125.56 1nd9 h ALA 25 Ca 0.34 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.48 1nd9 h ALA 25 Cb 0.44 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1nd9 h ALA 25 CO -0.34 -0.43 0.03 0.22 0.00 0.00 0.00 179.25 178.73 1nd9 h ASP 26 N 0.12 0.12 0.00 0.00 1.82 -0.63 -3.32 116.42 114.53 1nd9 h ASP 26 Ca 0.45 -0.19 0.00 0.00 -0.39 0.00 0.00 57.03 56.90 1nd9 h ASP 26 Cb 0.82 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.80 1nd9 h ASP 26 CO -0.68 0.28 0.00 0.00 -1.61 0.00 0.00 179.24 177.24 1nd9 n ALA 27 N -2.22 -0.11 0.00 -0.78 0.00 0.48 -4.84 120.51 113.03 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 0.13 0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.91 0.00 2.21 0.00 0.00 0.24 -5.05 105.19 101.69 1nd9 n GLY 28 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.33 -0.61 2.08 -0.77 -4.99 119.36 112.73 1nd9 n ILE 29 Ca 0.00 -1.65 -0.33 0.00 0.56 0.00 0.00 62.75 61.33 1nd9 n ILE 29 Cb 0.00 0.83 -0.02 0.00 -0.75 0.00 0.00 39.64 39.71 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 -2.91 3.64 0.58 0.38 3.00 -1.26 -3.96 118.95 118.42 1nd9 s ARG 30 Ca 0.27 1.24 -0.08 0.00 0.00 0.00 0.00 55.73 57.16 1nd9 s ARG 30 Cb 0.01 -2.08 -0.01 0.00 0.00 0.00 0.00 34.95 32.87 1nd9 s ARG 30 CO 0.19 -0.55 0.92 0.21 0.00 0.00 0.00 175.30 176.07 1nd9 s LYS 31 N -3.68 3.25 0.68 3.54 2.20 -1.05 -3.65 119.74 121.03 1nd9 s LYS 31 Ca 0.64 0.29 -0.01 0.00 -0.36 0.00 0.00 55.97 56.53 1nd9 s LYS 31 Cb -0.15 -2.23 0.10 0.00 -1.51 0.00 0.00 37.83 34.04 1nd9 s LYS 31 CO 0.28 -0.57 0.95 -1.54 -0.36 0.00 0.00 175.35 174.11 1nd9 s SER 32 N -4.22 4.58 0.00 1.43 1.04 -1.26 -3.53 113.70 111.73 1nd9 s SER 32 Ca 0.53 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1nd9 s SER 32 Cb -0.11 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.73 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 -2.74 -0.14 -2.66 5.32 0.00 -1.26 -4.79 120.51 114.24 1nd9 n ALA 33 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.53 1nd9 n ALA 33 Cb 0.60 -0.27 -0.04 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.68 -2.37 0.00 0.00 -0.08 -1.24 -4.99 116.55 107.20 1nd9 n ASP 34 Ca 0.00 1.34 0.00 0.00 -1.51 0.00 0.00 54.79 54.62 1nd9 n ASP 34 Cb 0.27 -5.05 0.00 0.00 2.34 0.00 0.00 41.12 38.68 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 1.55 0.00 -4.28 1.67 -0.08 -1.16 -4.96 116.55 109.30 1nd9 n ASP 35 Ca -0.32 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.65 1nd9 n ASP 35 Cb 0.50 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.79 1nd9 n ASP 35 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1nd9 s SER 36 N -4.00 3.02 0.21 1.67 0.01 -1.23 -2.41 113.70 110.98 1nd9 s SER 36 Ca 0.00 -0.49 -0.02 0.00 1.31 0.00 0.00 55.95 56.75 1nd9 s SER 36 Cb 0.00 -0.63 -0.03 0.00 0.21 0.00 0.00 66.02 65.57 1nd9 s SER 36 CO 0.00 0.27 0.18 0.54 0.41 0.00 0.00 173.24 174.65 1nd9 s VAL 37 N -0.34 0.00 -0.16 3.43 0.11 -0.37 -2.54 120.40 120.53 1nd9 s VAL 37 Ca 0.02 -1.93 0.01 0.00 -2.93 0.00 0.00 61.98 57.15 1nd9 s VAL 37 Cb -0.12 -2.47 0.01 0.00 -1.53 0.00 0.00 36.38 32.27 1nd9 s VAL 37 CO 0.02 0.00 -0.18 -0.55 -3.33 0.00 0.00 175.10 171.06 1nd9 s SER 38 N -3.16 3.40 0.32 3.54 0.15 -1.26 -2.62 113.70 114.08 1nd9 s SER 38 Ca 0.37 -0.55 -0.26 0.00 0.70 0.00 0.00 55.95 56.21 1nd9 s SER 38 Cb 0.06 -1.52 -0.10 0.00 -1.71 0.00 0.00 66.02 62.75 1nd9 s SER 38 CO 0.13 0.06 0.95 0.00 1.20 0.00 0.00 173.24 175.58 1nd9 s ALA 39 N 0.96 3.21 0.00 5.45 0.00 -0.94 -3.29 121.76 127.16 1nd9 s ALA 39 Ca -0.03 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.47 1nd9 s ALA 39 Cb -0.15 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1nd9 s ALA 39 CO -0.04 0.15 0.00 1.04 0.00 0.00 0.00 175.76 176.92 1nd9 n GLN 40 N 0.57 -0.65 0.00 0.00 6.02 -1.26 -4.80 117.38 117.25 1nd9 n GLN 40 Ca 0.02 0.16 0.11 0.00 -0.01 0.00 0.00 57.00 57.29 1nd9 n GLN 40 Cb 0.50 -3.91 0.54 0.00 1.02 0.00 0.00 30.24 28.40 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 -1.28 0.16 -0.17 -1.09 1.02 -1.21 -4.10 120.64 113.97 1nd9 n GLU 41 Ca 0.00 0.08 0.12 0.00 -0.02 0.00 0.00 57.16 57.35 1nd9 n GLU 41 Cb 0.16 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.28 1nd9 n GLU 41 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1nd9 n LYS 42 N -1.40 -0.00 0.23 3.49 2.85 -1.26 -0.36 118.16 121.71 1nd9 n LYS 42 Ca 0.08 0.26 0.03 0.00 -1.05 0.00 0.00 58.31 57.64 1nd9 n LYS 42 Cb 0.23 -0.60 0.18 0.00 -0.65 0.00 0.00 35.03 34.20 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 0.00 -0.71 -1.58 1.08 -1.95 -1.65 115.11 110.30 1nd9 h GLN 43 Ca 0.22 0.00 0.15 0.00 -1.45 0.00 0.00 58.65 57.58 1nd9 h GLN 43 Cb 0.88 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 28.19 1nd9 h GLN 43 CO -0.01 0.00 -0.04 0.00 -0.95 0.00 0.00 178.83 177.82 1nd9 h THR 44 N 0.00 0.36 -0.56 -0.54 1.03 -1.02 0.21 112.91 112.39 1nd9 h THR 44 Ca 0.00 -0.03 0.11 0.00 -0.01 0.00 0.00 66.41 66.49 1nd9 h THR 44 Cb 1.33 0.28 -0.10 0.00 -1.07 0.00 0.00 68.15 68.58 1nd9 h THR 44 CO 0.00 0.01 -0.11 -0.07 -0.01 0.00 0.00 175.52 175.35 1nd9 h LEU 45 N 0.08 -0.46 0.33 0.00 3.38 -1.59 0.04 115.31 117.09 1nd9 h LEU 45 Ca 0.37 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.49 1nd9 h LEU 45 Cb 0.63 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1nd9 h LEU 45 CO -0.65 -0.17 -0.16 0.40 0.09 0.00 0.00 178.44 177.95 1nd9 h ILE 46 N 0.02 0.50 0.06 1.22 2.04 -1.28 -2.63 117.51 117.44 1nd9 h ILE 46 Ca 0.27 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 1nd9 h ILE 46 Cb 0.42 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1nd9 h ILE 46 CO -0.55 0.11 -0.06 0.44 0.00 0.00 0.00 178.15 178.08 1nd9 h ASP 47 N -0.94 -0.17 -0.53 1.72 3.32 -0.84 -0.56 116.42 118.41 1nd9 h ASP 47 Ca -0.05 0.01 0.11 0.00 0.02 0.00 0.00 57.03 57.13 1nd9 h ASP 47 Cb 0.52 0.06 -0.10 0.00 0.22 0.00 0.00 39.33 40.02 1nd9 h ASP 47 CO 0.07 -0.08 -0.12 0.45 -1.72 0.00 0.00 179.24 177.84 1nd9 h HIS 48 N -0.12 -0.26 0.00 4.55 3.86 -1.17 -3.06 115.15 118.95 1nd9 h HIS 48 Ca -0.01 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1nd9 h HIS 48 Cb 0.11 0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1nd9 h HIS 48 CO -0.11 -0.22 0.00 -0.11 0.86 0.00 0.00 177.93 178.35 1nd9 n LEU 49 N -5.37 0.00 0.00 2.43 0.00 -0.99 -5.09 117.00 107.98 1nd9 n LEU 49 Ca 0.05 0.99 0.02 0.00 0.00 0.00 0.00 56.01 57.08 1nd9 n LEU 49 Cb 0.28 -0.49 0.14 0.00 0.00 0.00 0.00 43.42 43.35 1nd9 n LEU 49 CO 0.09 -0.49 0.38 0.59 0.00 0.00 0.00 177.39 177.96