#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 7.05 0.30 3.42 -4.77 -1.26 -2.23 116.67 119.18 1nd9 s ASP 3 Ca 0.00 1.27 -0.00 0.00 -3.30 0.00 0.00 52.55 50.52 1nd9 s ASP 3 Cb 0.00 -2.46 -0.02 0.00 -1.09 0.00 0.00 42.92 39.36 1nd9 s ASP 3 CO 0.00 -0.24 0.33 -0.69 0.70 0.00 0.00 175.17 175.27 1nd9 s VAL 4 N 1.31 0.00 -0.04 2.11 1.01 -0.69 -4.89 120.40 119.21 1nd9 s VAL 4 Ca 0.40 -1.80 -0.30 0.00 0.00 0.00 0.00 61.98 60.29 1nd9 s VAL 4 Cb -0.18 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1nd9 s VAL 4 CO 0.18 0.00 1.32 0.28 0.00 0.00 0.00 175.10 176.88 1nd9 s THR 5 N -3.54 3.97 0.76 3.92 -1.32 -1.26 -1.77 115.64 116.41 1nd9 s THR 5 Ca 0.35 1.31 -0.15 0.00 -1.21 0.00 0.00 61.69 61.99 1nd9 s THR 5 Cb 0.02 -3.84 0.02 0.00 -1.51 0.00 0.00 72.50 67.19 1nd9 s THR 5 CO 0.19 -0.02 0.94 0.00 -2.21 0.00 0.00 174.62 173.53 1nd9 n ILE 6 N 4.73 2.35 0.00 5.08 0.13 -0.91 -3.22 119.36 127.52 1nd9 n ILE 6 Ca 0.12 -0.32 0.00 0.00 -1.10 0.00 0.00 62.75 61.45 1nd9 n ILE 6 Cb 0.45 -1.06 0.00 0.00 -0.84 0.00 0.00 39.64 38.19 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 -2.07 0.00 -0.14 9.51 0.00 -1.26 -2.89 118.16 121.31 1nd9 n LYS 7 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 58.31 58.39 1nd9 n LYS 7 Cb 0.50 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.55 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 0.37 -0.12 3.15 2.02 -1.98 0.78 112.91 117.12 1nd9 h THR 8 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1nd9 h THR 8 Cb 0.00 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1nd9 h THR 8 CO 0.00 0.00 -0.23 -0.07 0.37 0.00 0.00 175.52 175.59 1nd9 h LEU 9 N -0.12 0.41 -0.39 2.58 4.07 -1.79 -1.58 115.31 118.49 1nd9 h LEU 9 Ca 0.22 -0.55 0.05 0.00 0.08 0.00 0.00 57.88 57.68 1nd9 h LEU 9 Cb 0.46 -0.12 -0.08 0.00 1.08 0.00 0.00 40.66 42.00 1nd9 h LEU 9 CO -0.54 0.89 -0.56 0.00 -1.08 0.00 0.00 178.44 177.15 1nd9 h ALA 10 N 0.54 -0.79 -0.14 1.53 0.00 -1.27 -0.68 119.26 118.45 1nd9 h ALA 10 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nd9 h ALA 10 Cb 0.81 1.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 1nd9 h ALA 10 CO 0.05 -1.06 0.09 0.00 0.00 0.00 0.00 179.25 178.33 1nd9 h ALA 11 N -0.05 0.17 -0.34 0.00 0.00 0.40 -1.72 119.26 117.73 1nd9 h ALA 11 Ca 0.07 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1nd9 h ALA 11 Cb 0.60 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1nd9 h ALA 11 CO -0.59 -0.33 -0.18 -1.91 0.00 0.00 0.00 179.25 176.24 1nd9 n GLU 12 N -4.98 -0.13 -0.02 0.00 2.13 -0.28 0.97 120.64 118.32 1nd9 n GLU 12 Ca -0.05 0.51 -0.13 0.00 0.66 0.00 0.00 57.16 58.16 1nd9 n GLU 12 Cb 0.04 -0.75 -0.08 0.00 0.27 0.00 0.00 31.44 30.91 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 0.10 -2.66 5.31 -0.00 -1.51 -3.49 114.38 112.12 1nd9 h ARG 13 Ca 0.07 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.51 1nd9 h ARG 13 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.12 1nd9 h ARG 13 CO -0.32 0.45 0.00 0.94 0.00 0.00 0.00 179.97 181.04 1nd9 n GLN 14 N -4.83 0.00 -0.64 0.04 7.27 0.27 -4.60 117.38 114.89 1nd9 n GLN 14 Ca -0.07 0.44 0.00 0.00 0.07 0.00 0.00 57.00 57.44 1nd9 n GLN 14 Cb 0.22 -0.89 0.00 0.00 2.41 0.00 0.00 30.24 31.99 1nd9 n GLN 14 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1nd9 n THR 15 N 0.02 0.00 0.00 1.69 -1.04 -1.26 -4.94 114.28 108.75 1nd9 n THR 15 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1nd9 n THR 15 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 0.00 0.00 -0.12 8.00 2.88 -1.26 -4.55 113.62 118.56 1nd9 n SER 16 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1nd9 n SER 16 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 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 0.66 -0.55 2.46 3.04 -1.85 -1.69 116.25 118.31 1nd9 h VAL 17 Ca 0.00 -0.02 0.11 0.00 -1.01 0.00 0.00 66.70 65.78 1nd9 h VAL 17 Cb 0.00 0.58 -0.11 0.00 -2.01 0.00 0.00 31.29 29.76 1nd9 h VAL 17 CO 0.00 0.01 -0.15 -0.08 -1.01 0.00 0.00 177.57 176.35 1nd9 h GLU 18 N 0.07 -0.01 -0.74 4.17 4.81 -1.54 0.43 114.58 121.77 1nd9 h GLU 18 Ca 0.20 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.59 1nd9 h GLU 18 Cb 0.29 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.56 1nd9 h GLU 18 CO -0.36 -0.01 0.18 0.00 -0.73 0.00 0.00 179.01 178.10 1nd9 h ARG 19 N -0.01 0.26 -0.25 1.92 2.47 -1.58 -0.64 114.38 116.55 1nd9 h ARG 19 Ca 0.27 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.96 1nd9 h ARG 19 Cb 0.41 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 1nd9 h ARG 19 CO -0.58 0.17 0.13 -0.07 0.56 0.00 0.00 179.97 180.19 1nd9 h LEU 20 N 0.27 0.33 -0.76 3.04 3.38 0.46 -2.98 115.31 119.05 1nd9 h LEU 20 Ca 0.42 -0.11 0.18 0.00 0.09 0.00 0.00 57.88 58.46 1nd9 h LEU 20 Cb 0.72 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.26 1nd9 h LEU 20 CO -0.51 0.34 0.10 -0.37 0.09 0.00 0.00 178.44 178.09 1nd9 h VAL 21 N 0.29 0.40 0.32 1.22 -1.51 0.93 0.28 116.25 118.17 1nd9 h VAL 21 Ca 0.09 -0.06 -0.02 0.00 -1.23 0.00 0.00 66.70 65.48 1nd9 h VAL 21 Cb 0.09 0.21 0.00 0.00 -2.13 0.00 0.00 31.29 29.47 1nd9 h VAL 21 CO -0.01 0.03 -0.15 1.56 -1.23 0.00 0.00 177.57 177.77 1nd9 h GLN 22 N 0.18 -0.41 -0.25 5.19 4.20 -1.43 -2.37 115.11 120.22 1nd9 h GLN 22 Ca 0.43 0.03 0.06 0.00 0.06 0.00 0.00 58.65 59.23 1nd9 h GLN 22 Cb 0.78 0.09 -0.08 0.00 0.30 0.00 0.00 27.48 28.57 1nd9 h GLN 22 CO -0.60 -0.27 -0.37 1.96 -0.67 0.00 0.00 178.83 178.87 1nd9 h GLN 23 N -0.64 -0.36 -0.72 1.46 7.50 -1.36 -2.04 115.11 118.94 1nd9 h GLN 23 Ca -0.04 0.02 0.15 0.00 0.50 0.00 0.00 58.65 59.28 1nd9 h GLN 23 Cb 0.32 0.08 -0.10 0.00 0.05 0.00 0.00 27.48 27.84 1nd9 h GLN 23 CO 0.07 -0.24 0.22 0.74 -1.50 0.00 0.00 178.83 178.12 1nd9 h PHE 24 N -0.38 0.36 -0.81 2.96 0.04 -0.58 0.33 116.94 118.87 1nd9 h PHE 24 Ca 0.12 0.04 0.19 0.00 2.80 0.00 0.00 57.97 61.12 1nd9 h PHE 24 Cb 0.58 -0.05 -0.14 0.00 2.20 0.00 0.00 35.95 38.54 1nd9 h PHE 24 CO -0.50 -0.02 0.03 0.00 -0.60 0.00 0.00 178.31 177.22 1nd9 h ALA 25 N 1.56 0.89 -0.07 2.45 0.00 -0.81 1.15 119.26 124.43 1nd9 h ALA 25 Ca 0.40 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.56 1nd9 h ALA 25 Cb 0.64 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1nd9 h ALA 25 CO -0.45 -0.44 0.02 0.22 0.00 0.00 0.00 179.25 178.60 1nd9 h ASP 26 N 0.10 0.11 0.00 0.00 3.58 -0.40 -3.33 116.42 116.48 1nd9 h ASP 26 Ca 0.46 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1nd9 h ASP 26 Cb 0.84 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.86 1nd9 h ASP 26 CO -0.71 0.30 0.00 0.00 -2.88 0.00 0.00 179.24 175.95 1nd9 n ALA 27 N -2.23 -0.01 0.00 -0.78 0.00 0.37 -4.79 120.51 113.07 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 0.14 0.41 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 -1.00 0.00 3.27 0.00 0.00 0.16 -5.06 105.19 102.56 1nd9 n GLY 28 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.84 -0.61 -0.00 -0.91 -5.03 119.36 110.96 1nd9 n ILE 29 Ca 0.00 -2.23 -0.31 0.00 -0.00 0.00 0.00 62.75 60.21 1nd9 n ILE 29 Cb 0.00 0.60 0.02 0.00 -0.00 0.00 0.00 39.64 40.26 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 -3.59 3.40 0.60 0.38 0.52 -1.26 -4.24 118.95 114.75 1nd9 s ARG 30 Ca 0.08 0.87 -0.08 0.00 -0.52 0.00 0.00 55.73 56.09 1nd9 s ARG 30 Cb 0.00 -2.05 -0.00 0.00 0.52 0.00 0.00 34.95 33.42 1nd9 s ARG 30 CO 0.06 -0.73 0.94 0.21 0.02 0.00 0.00 175.30 175.80 1nd9 s LYS 31 N -4.93 3.07 0.69 3.54 2.20 -1.14 -3.57 119.74 119.59 1nd9 s LYS 31 Ca 0.57 0.21 -0.01 0.00 -0.36 0.00 0.00 55.97 56.39 1nd9 s LYS 31 Cb -0.12 -2.21 0.11 0.00 -1.51 0.00 0.00 37.83 34.10 1nd9 s LYS 31 CO 0.51 -0.69 0.96 -1.54 -0.36 0.00 0.00 175.35 174.22 1nd9 s SER 32 N -4.27 4.52 0.00 1.43 1.04 -1.22 -4.14 113.70 111.05 1nd9 s SER 32 Ca 0.54 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1nd9 s SER 32 Cb -0.11 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.82 1nd9 s SER 32 CO 0.48 -1.74 0.00 0.00 0.98 0.00 0.00 173.24 172.96 1nd9 n ALA 33 N -2.76 -0.06 -2.84 5.32 0.00 -1.26 -4.83 120.51 114.08 1nd9 n ALA 33 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.55 1nd9 n ALA 33 Cb 0.60 -0.13 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.32 -4.65 0.00 0.00 -0.08 -1.25 -4.98 116.55 105.26 1nd9 n ASP 34 Ca 0.00 1.13 0.00 0.00 -1.51 0.00 0.00 54.79 54.41 1nd9 n ASP 34 Cb 0.13 -3.72 0.00 0.00 2.34 0.00 0.00 41.12 39.87 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 1.72 0.00 -4.11 1.67 2.03 -1.14 -4.96 116.55 111.76 1nd9 n ASP 35 Ca -0.17 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.83 1nd9 n ASP 35 Cb 0.33 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.57 1nd9 n ASP 35 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1nd9 s SER 36 N -4.00 2.84 0.34 1.67 0.01 -1.26 -2.15 113.70 111.15 1nd9 s SER 36 Ca 0.00 -0.54 -0.00 0.00 1.31 0.00 0.00 55.95 56.72 1nd9 s SER 36 Cb 0.00 -1.30 -0.00 0.00 0.21 0.00 0.00 66.02 64.93 1nd9 s SER 36 CO 0.00 0.04 0.43 0.54 0.41 0.00 0.00 173.24 174.66 1nd9 s VAL 37 N 0.98 0.00 -0.21 3.43 0.11 -0.73 -2.90 120.40 121.08 1nd9 s VAL 37 Ca -0.05 -1.68 -0.06 0.00 -2.93 0.00 0.00 61.98 57.26 1nd9 s VAL 37 Cb -0.15 -2.61 -0.03 0.00 -1.53 0.00 0.00 36.38 32.06 1nd9 s VAL 37 CO -0.04 0.00 0.03 -0.55 -3.33 0.00 0.00 175.10 171.21 1nd9 s SER 38 N -3.27 5.03 0.45 3.54 0.15 -1.26 -1.71 113.70 116.63 1nd9 s SER 38 Ca 0.33 -0.17 -0.03 0.00 0.70 0.00 0.00 55.95 56.78 1nd9 s SER 38 Cb 0.00 -1.87 -0.03 0.00 -1.71 0.00 0.00 66.02 62.41 1nd9 s SER 38 CO 0.22 0.04 0.71 0.00 1.20 0.00 0.00 173.24 175.41 1nd9 s ALA 39 N 1.14 3.52 -1.40 5.45 0.00 -0.94 -3.89 121.76 125.63 1nd9 s ALA 39 Ca 0.03 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1nd9 s ALA 39 Cb -0.14 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.57 1nd9 s ALA 39 CO 0.02 -0.29 0.00 0.94 0.00 0.00 0.00 175.76 176.43 1nd9 n GLN 40 N -2.13 -1.35 0.32 0.00 7.27 -1.26 -4.70 117.38 115.54 1nd9 n GLN 40 Ca -0.01 0.80 0.21 0.00 0.07 0.00 0.00 57.00 58.07 1nd9 n GLN 40 Cb 0.56 -5.03 1.11 0.00 2.41 0.00 0.00 30.24 29.29 1nd9 n GLN 40 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1nd9 h GLU 41 N 0.00 0.00 0.00 3.69 4.22 -1.91 -3.42 114.58 117.16 1nd9 h GLU 41 Ca -0.27 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.17 1nd9 h GLU 41 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1nd9 h GLU 41 CO 0.40 0.01 0.00 1.63 -2.18 0.00 0.00 179.01 178.86 1nd9 n LYS 42 N -3.23 0.00 0.29 1.92 5.02 -1.26 -3.14 118.16 117.76 1nd9 n LYS 42 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1nd9 n LYS 42 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 1nd9 n LYS 42 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1nd9 n GLN 43 N 0.00 0.03 -0.21 1.97 6.02 -1.26 -1.71 117.38 122.21 1nd9 n GLN 43 Ca 0.00 0.82 0.00 0.00 -0.01 0.00 0.00 57.00 57.82 1nd9 n GLN 43 Cb 0.00 -2.42 0.08 0.00 1.02 0.00 0.00 30.24 28.93 1nd9 n GLN 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nd9 h THR 44 N 0.00 0.40 0.50 5.09 1.03 -1.92 0.87 112.91 118.89 1nd9 h THR 44 Ca 0.00 -0.01 -0.02 0.00 -0.01 0.00 0.00 66.41 66.36 1nd9 h THR 44 Cb 1.83 0.36 0.00 0.00 -1.07 0.00 0.00 68.15 69.27 1nd9 h THR 44 CO 0.00 0.01 -0.24 -0.07 -0.01 0.00 0.00 175.52 175.21 1nd9 h LEU 45 N 0.04 -0.57 -0.02 0.00 3.38 -1.68 -1.69 115.31 114.77 1nd9 h LEU 45 Ca 0.32 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1nd9 h LEU 45 Cb 0.51 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1nd9 h LEU 45 CO -0.61 -0.32 0.01 -0.29 0.09 0.00 0.00 178.44 177.32 1nd9 h ILE 46 N -0.80 1.19 0.03 1.22 2.10 -1.63 -1.84 117.51 117.78 1nd9 h ILE 46 Ca -0.07 -0.57 -0.00 0.00 1.08 0.00 0.00 64.86 65.30 1nd9 h ILE 46 Cb 0.57 1.53 0.00 0.00 -1.09 0.00 0.00 36.82 37.83 1nd9 h ILE 46 CO 0.11 0.15 -0.01 -0.78 -1.08 0.00 0.00 178.15 176.54 1nd9 h ASP 47 N -0.19 -0.03 -0.51 2.19 3.58 0.69 -1.38 116.42 120.77 1nd9 h ASP 47 Ca 0.01 0.00 0.10 0.00 0.42 0.00 0.00 57.03 57.56 1nd9 h ASP 47 Cb 0.24 0.01 -0.10 0.00 1.72 0.00 0.00 39.33 41.20 1nd9 h ASP 47 CO 0.00 -0.02 -0.13 0.45 -2.88 0.00 0.00 179.24 176.66 1nd9 h HIS 48 N -0.04 -0.27 0.07 0.28 3.86 -1.44 -2.99 115.15 114.63 1nd9 h HIS 48 Ca -0.00 0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1nd9 h HIS 48 Cb 0.03 0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 1nd9 h HIS 48 CO 0.18 -0.22 -0.09 1.25 0.86 0.00 0.00 177.93 179.92 1nd9 h LEU 49 N -0.00 -0.25 0.00 2.43 5.85 -1.37 -3.51 115.31 118.45 1nd9 h LEU 49 Ca 0.24 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1nd9 h LEU 49 Cb 0.37 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1nd9 h LEU 49 CO -0.52 -0.11 0.00 0.59 -0.34 0.00 0.00 178.44 178.06