#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qp1 n ILE 4 N 0.00 0.00 -3.84 -0.61 -5.35 -1.26 -4.83 119.36 103.47 2qp1 n ILE 4 Ca 0.00 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.17 2qp1 n ILE 4 Cb 0.00 -0.47 -0.11 0.00 -1.74 0.00 0.00 39.64 37.32 2qp1 n ILE 4 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2qp1 s ARG 5 N -1.86 2.47 0.56 6.28 1.81 -1.26 -4.38 118.95 122.57 2qp1 s ARG 5 Ca 0.00 -2.99 -0.20 0.00 -1.72 0.00 0.00 55.73 50.83 2qp1 s ARG 5 Cb 0.00 -3.53 -0.06 0.00 -0.45 0.00 0.00 34.95 30.91 2qp1 s ARG 5 CO 0.00 -1.21 0.99 0.39 -0.68 0.00 0.00 175.30 174.79 2qp1 n GLU 6 N 2.62 1.03 -2.40 3.54 4.71 -0.93 -4.54 120.64 124.67 2qp1 n GLU 6 Ca 0.14 0.39 -0.43 0.00 -0.01 0.00 0.00 57.16 57.25 2qp1 n GLU 6 Cb 0.35 -2.16 0.00 0.00 -1.01 0.00 0.00 31.44 28.61 2qp1 n GLU 6 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2qp1 n LYS 7 N -0.77 3.27 -1.15 3.49 5.02 -1.26 -1.90 118.16 124.86 2qp1 n LYS 7 Ca 0.13 -3.32 -0.33 0.00 -2.02 0.00 0.00 58.31 52.76 2qp1 n LYS 7 Cb 0.46 -3.18 0.12 0.00 -0.02 0.00 0.00 35.03 32.41 2qp1 n LYS 7 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2qp1 s ILE 8 N 2.30 2.07 -0.09 -0.18 -1.16 -0.05 -4.78 121.20 119.31 2qp1 s ILE 8 Ca 0.46 0.03 0.02 0.00 -0.51 0.00 0.00 60.65 60.64 2qp1 s ILE 8 Cb 0.06 -2.46 0.02 0.00 0.61 0.00 0.00 42.46 40.69 2qp1 s ILE 8 CO -0.00 -0.02 -0.12 -1.59 -2.81 0.00 0.00 174.94 170.40 2qp1 s LYS 9 N -4.11 1.83 -0.39 3.50 0.00 -1.26 -1.28 119.74 118.03 2qp1 s LYS 9 Ca 0.73 -0.43 -0.22 0.00 0.00 0.00 0.00 55.97 56.06 2qp1 s LYS 9 Cb -0.29 -1.59 0.01 0.00 0.00 0.00 0.00 37.83 35.96 2qp1 s LYS 9 CO 0.50 -0.06 0.69 -0.51 0.00 0.00 0.00 175.35 175.98 2qp1 s LEU 10 N 0.96 4.26 0.32 2.77 1.02 -0.19 -4.32 118.68 123.51 2qp1 s LEU 10 Ca -0.08 0.08 -0.18 0.00 0.02 0.00 0.00 54.13 53.96 2qp1 s LEU 10 Cb -0.15 -2.86 -0.09 0.00 0.02 0.00 0.00 46.19 43.11 2qp1 s LEU 10 CO -0.00 -0.71 0.80 -0.69 0.02 0.00 0.00 176.35 175.77 2qp1 s VAL 11 N 2.91 4.55 0.01 -1.59 1.01 -0.33 -0.70 120.40 126.26 2qp1 s VAL 11 Ca 0.27 1.22 -0.28 0.00 0.00 0.00 0.00 61.98 63.19 2qp1 s VAL 11 Cb -0.14 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2qp1 s VAL 11 CO 0.17 -0.09 0.88 -0.55 0.00 0.00 0.00 175.10 175.51 2qp1 s SER 12 N -2.05 7.28 0.00 3.32 0.15 -1.21 -1.35 113.70 119.85 2qp1 s SER 12 Ca 0.53 1.54 0.00 0.00 0.70 0.00 0.00 55.95 58.72 2qp1 s SER 12 Cb -0.12 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 2qp1 s SER 12 CO 0.18 -0.16 0.50 -1.54 1.20 0.00 0.00 173.24 173.42 2qp1 n SER 13 N 3.56 0.40 -4.92 5.45 3.41 0.15 -4.75 113.62 116.92 2qp1 n SER 13 Ca 0.03 -1.41 -0.20 0.00 -0.26 0.00 0.00 58.87 57.03 2qp1 n SER 13 Cb 0.51 -0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 64.24 2qp1 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qp1 s ALA 14 N -1.43 4.25 -1.91 7.33 0.00 -1.26 -4.95 121.76 123.78 2qp1 s ALA 14 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.15 2qp1 s ALA 14 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.92 2qp1 s ALA 14 CO 0.00 -0.28 0.78 0.41 0.00 0.00 0.00 175.76 176.66 2qp1 n GLY 15 N -1.68 -0.64 3.89 0.00 0.00 -1.26 -4.79 105.19 100.71 2qp1 n GLY 15 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 2qp1 n GLY 15 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2qp1 s THR 16 N -1.91 5.10 -2.02 2.61 -1.32 -1.26 -5.00 115.64 111.83 2qp1 s THR 16 Ca 0.00 -0.68 0.10 0.00 -1.21 0.00 0.00 61.69 59.90 2qp1 s THR 16 Cb 0.00 -3.56 0.27 0.00 -1.51 0.00 0.00 72.50 67.70 2qp1 s THR 16 CO 0.00 0.00 1.35 0.61 -2.21 0.00 0.00 174.62 174.37 2qp1 n GLY 17 N -0.14 -0.75 3.67 6.08 0.00 -1.26 -4.72 105.19 108.07 2qp1 n GLY 17 Ca -0.07 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2qp1 n GLY 17 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qp1 s HIS 18 N -1.94 1.82 0.05 1.61 5.65 -1.26 -4.94 115.29 116.28 2qp1 s HIS 18 Ca 0.16 1.59 -0.26 0.00 0.25 0.00 0.00 55.06 56.80 2qp1 s HIS 18 Cb 0.08 -3.23 0.09 0.00 -1.18 0.00 0.00 32.58 28.33 2qp1 s HIS 18 CO 0.12 -2.76 1.18 1.97 -0.65 0.00 0.00 174.74 174.61 2qp1 n PHE 19 N -4.18 -0.71 -4.40 3.88 -1.74 -1.26 -3.29 117.46 105.76 2qp1 n PHE 19 Ca 0.09 -0.90 -0.20 0.00 -0.56 0.00 0.00 57.45 55.89 2qp1 n PHE 19 Cb 0.53 0.42 -0.10 0.00 1.52 0.00 0.00 39.48 41.85 2qp1 n PHE 19 CO 0.00 0.00 0.00 0.71 -0.56 0.00 0.00 176.76 176.91 2qp1 s TYR 20 N -2.06 1.80 -0.03 2.97 2.02 0.12 -4.98 117.35 117.18 2qp1 s TYR 20 Ca 0.27 -0.95 -0.01 0.00 -0.37 0.00 0.00 57.07 56.02 2qp1 s TYR 20 Cb -0.01 -1.11 0.03 0.00 -0.40 0.00 0.00 41.96 40.46 2qp1 s TYR 20 CO 0.01 -0.02 0.05 -0.08 -1.57 0.00 0.00 175.55 173.95 2qp1 s THR 21 N -3.36 -0.09 0.00 -0.71 -1.32 -1.26 -1.02 115.64 107.88 2qp1 s THR 21 Ca 0.34 0.35 0.00 0.00 -1.21 0.00 0.00 61.69 61.17 2qp1 s THR 21 Cb 0.07 -0.12 0.00 0.00 -1.51 0.00 0.00 72.50 70.94 2qp1 s THR 21 CO 0.13 0.15 0.00 0.35 -2.21 0.00 0.00 174.62 173.04 2qp1 n THR 22 N 4.90 0.00 -4.41 5.08 -2.24 -0.40 -5.00 114.28 112.21 2qp1 n THR 22 Ca -0.12 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.40 2qp1 n THR 22 Cb 0.50 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.62 2qp1 n THR 22 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2qp1 s THR 23 N -2.20 2.53 0.11 4.28 -4.23 -1.26 -0.87 115.64 114.00 2qp1 s THR 23 Ca 0.00 -2.02 -0.11 0.00 -1.18 0.00 0.00 61.69 58.38 2qp1 s THR 23 Cb 0.00 -2.24 0.01 0.00 1.34 0.00 0.00 72.50 71.61 2qp1 s THR 23 CO 0.00 -0.16 0.26 -0.75 -0.54 0.00 0.00 174.62 173.43 2qp1 s LYS 24 N -2.83 0.96 -0.91 3.99 2.20 -0.80 -4.83 119.74 117.53 2qp1 s LYS 24 Ca 0.23 -0.94 -0.01 0.00 -0.36 0.00 0.00 55.97 54.89 2qp1 s LYS 24 Cb -0.08 0.38 0.26 0.00 -1.51 0.00 0.00 37.83 36.89 2qp1 s LYS 24 CO 0.12 -0.34 1.03 -1.71 -0.36 0.00 0.00 175.35 174.09 2qp1 n ASN 25 N -0.13 4.93 -0.29 1.43 2.85 -1.26 -2.20 115.26 120.59 2qp1 n ASN 25 Ca -0.14 -3.30 0.34 0.00 -0.11 0.00 0.00 54.58 51.37 2qp1 n ASN 25 Cb 0.63 -1.05 0.73 0.00 1.24 0.00 0.00 39.78 41.34 2qp1 n ASN 25 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2qp1 h LYS 26 N 5.36 0.00 -0.05 1.20 1.63 -1.76 0.93 116.57 123.89 2qp1 h LYS 26 Ca 0.19 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.94 2qp1 h LYS 26 Cb 0.71 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.33 2qp1 h LYS 26 CO 1.02 0.00 -0.17 0.00 -3.45 0.00 0.00 179.45 176.85 2qp1 h ARG 27 N 0.00 0.07 0.00 1.90 2.47 -1.90 -3.24 114.38 113.68 2qp1 h ARG 27 Ca 0.54 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.24 2qp1 h ARG 27 Cb 2.27 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 30.58 2qp1 h ARG 27 CO -0.01 0.25 0.00 0.25 0.56 0.00 0.00 179.97 181.02 2qp1 n THR 28 N -4.30 0.23 -3.03 2.04 -2.24 0.16 -4.90 114.28 102.24 2qp1 n THR 28 Ca -0.02 -0.40 -0.18 0.00 -2.27 0.00 0.00 64.05 61.19 2qp1 n THR 28 Cb 0.26 1.15 -0.02 0.00 -2.10 0.00 0.00 70.33 69.61 2qp1 n THR 28 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qp1 n LYS 29 N -0.11 0.76 -0.11 -0.78 4.76 0.27 -5.00 118.16 117.95 2qp1 n LYS 29 Ca 0.00 -2.70 -0.07 0.00 -2.87 0.00 0.00 58.31 52.66 2qp1 n LYS 29 Cb 0.21 -1.32 0.01 0.00 -1.84 0.00 0.00 35.03 32.08 2qp1 n LYS 29 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 2qp1 h PRO 30 N 3.88 0.41 -6.00 1.97 0.11 -1.78 -3.39 132.00 127.20 2qp1 h PRO 30 Ca -0.00 -0.02 -0.78 0.00 0.11 0.00 0.00 66.00 65.30 2qp1 h PRO 30 Cb 0.94 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.93 2qp1 h PRO 30 CO 0.41 0.27 1.27 -0.85 -0.21 0.00 0.00 178.00 178.88 2qp1 n GLU 31 N -4.90 0.02 -1.62 1.05 0.00 -1.26 -4.66 120.64 109.27 2qp1 n GLU 31 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.75 2qp1 n GLU 31 Cb 0.07 -1.51 -0.03 0.00 0.00 0.00 0.00 31.44 29.97 2qp1 n GLU 31 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2qp1 s LYS 32 N 5.74 3.02 0.65 3.44 1.02 -1.26 -4.75 119.74 127.60 2qp1 s LYS 32 Ca 1.19 1.94 -0.18 0.00 0.02 0.00 0.00 55.97 58.93 2qp1 s LYS 32 Cb -1.49 -4.39 -0.01 0.00 -0.52 0.00 0.00 37.83 31.41 2qp1 s LYS 32 CO 0.67 -2.23 1.21 -0.11 -0.92 0.00 0.00 175.35 173.97 2qp1 n LEU 33 N 12.11 5.46 -3.63 3.17 7.94 0.43 -4.68 117.00 137.80 2qp1 n LEU 33 Ca 0.30 0.81 -0.12 0.00 -1.11 0.00 0.00 56.01 55.89 2qp1 n LEU 33 Cb 0.46 -1.52 -0.07 0.00 0.53 0.00 0.00 43.42 42.82 2qp1 n LEU 33 CO 0.67 -1.23 0.42 -1.83 -1.11 0.00 0.00 177.39 174.30 2qp1 s GLU 34 N -3.28 0.79 0.00 1.96 -1.05 -1.26 -3.41 118.70 112.45 2qp1 s GLU 34 Ca 0.81 1.03 0.00 0.00 -0.15 0.00 0.00 54.97 56.66 2qp1 s GLU 34 Cb -0.38 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 33.65 2qp1 s GLU 34 CO 0.42 -0.11 0.00 1.47 0.95 0.00 0.00 175.26 177.99 2qp1 n LEU 35 N 3.05 0.00 -1.85 1.83 -0.00 -1.08 -4.98 117.00 113.97 2qp1 n LEU 35 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 2qp1 n LEU 35 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2qp1 n LEU 35 CO 0.02 0.00 -0.35 1.17 -0.00 0.00 0.00 177.39 178.23 2qp1 n LYS 36 N 0.00 -3.82 0.00 1.47 0.00 -1.26 -4.82 118.16 109.73 2qp1 n LYS 36 Ca 0.00 2.89 0.00 0.00 0.00 0.00 0.00 58.31 61.20 2qp1 n LYS 36 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 35.03 31.66 2qp1 n LYS 36 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2qp1 n LYS 37 N 1.33 2.36 -4.71 1.64 5.02 -0.45 -4.83 118.16 118.52 2qp1 n LYS 37 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 2qp1 n LYS 37 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.87 2qp1 n LYS 37 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2qp1 s PHE 38 N 3.02 2.82 -0.64 2.13 5.36 -1.26 -2.00 117.98 127.41 2qp1 s PHE 38 Ca 0.00 -0.69 -0.08 0.00 -0.96 0.00 0.00 56.93 55.20 2qp1 s PHE 38 Cb 0.00 -1.86 0.17 0.00 -0.34 0.00 0.00 43.02 40.98 2qp1 s PHE 38 CO 0.00 -0.25 0.50 0.34 -1.46 0.00 0.00 175.22 174.36 2qp1 s ASP 39 N 0.44 5.79 0.28 6.13 -1.08 -1.24 -4.97 116.67 122.03 2qp1 s ASP 39 Ca -0.10 -2.55 0.01 0.00 -0.52 0.00 0.00 52.55 49.39 2qp1 s ASP 39 Cb -0.16 -2.00 0.67 0.00 -1.46 0.00 0.00 42.92 39.98 2qp1 s ASP 39 CO 0.05 -0.52 1.65 -0.65 0.52 0.00 0.00 175.17 176.22 2qp1 h PRO 40 N 7.63 0.21 -1.00 4.34 0.11 -1.95 1.43 132.00 142.77 2qp1 h PRO 40 Ca -0.03 -0.01 0.18 0.00 0.11 0.00 0.00 66.00 66.24 2qp1 h PRO 40 Cb 1.01 -0.05 -0.10 0.00 0.11 0.00 0.00 31.00 31.97 2qp1 h PRO 40 CO 0.76 0.14 0.62 0.28 -0.21 0.00 0.00 178.00 179.59 2qp1 h VAL 41 N 0.22 0.74 0.00 3.15 2.07 -1.99 -2.11 116.25 118.33 2qp1 h VAL 41 Ca 0.53 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.78 2qp1 h VAL 41 Cb 1.05 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2qp1 h VAL 41 CO -0.64 0.14 -1.50 0.52 0.02 0.00 0.00 177.57 176.11 2qp1 n VAL 42 N -4.73 0.00 -3.47 2.57 0.31 -0.28 -5.02 118.33 107.70 2qp1 n VAL 42 Ca 0.23 -0.31 -0.21 0.00 -0.01 0.00 0.00 64.34 64.03 2qp1 n VAL 42 Cb 0.55 0.35 0.06 0.00 -0.91 0.00 0.00 33.84 33.89 2qp1 n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qp1 n ARG 43 N -1.90 -3.00 -3.65 5.55 1.74 0.47 -5.02 116.66 110.86 2qp1 n ARG 43 Ca -0.01 0.71 -0.04 0.00 -0.77 0.00 0.00 57.85 57.74 2qp1 n ARG 43 Cb 0.39 -5.26 -0.05 0.00 -1.02 0.00 0.00 32.46 26.51 2qp1 n ARG 43 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qp1 s GLN 44 N -5.23 0.61 -0.21 5.56 -1.52 -1.22 -5.00 119.66 112.66 2qp1 s GLN 44 Ca 0.32 1.35 -0.28 0.00 -1.95 0.00 0.00 55.36 54.80 2qp1 s GLN 44 Cb -0.07 0.59 -0.05 0.00 -0.22 0.00 0.00 33.01 33.26 2qp1 s GLN 44 CO 0.78 -0.18 2.16 -1.01 -0.25 0.00 0.00 175.29 176.79 2qp1 s HIS 45 N 2.42 1.24 0.37 0.91 3.76 -1.26 -3.64 115.29 119.10 2qp1 s HIS 45 Ca -0.07 0.48 0.03 0.00 -0.15 0.00 0.00 55.06 55.35 2qp1 s HIS 45 Cb -0.10 -3.97 -0.04 0.00 1.11 0.00 0.00 32.58 29.59 2qp1 s HIS 45 CO -0.19 -4.07 0.10 0.54 -0.85 0.00 0.00 174.74 170.26 2qp1 s VAL 46 N 7.89 0.84 0.47 -0.90 0.11 -0.84 -4.96 120.40 123.01 2qp1 s VAL 46 Ca 0.97 -2.00 -0.22 0.00 -2.93 0.00 0.00 61.98 57.80 2qp1 s VAL 46 Cb -0.33 -2.54 -0.08 0.00 -1.53 0.00 0.00 36.38 31.91 2qp1 s VAL 46 CO 0.35 0.00 1.11 -0.63 -3.33 0.00 0.00 175.10 172.60 2qp1 s ILE 47 N -3.27 3.39 -0.18 7.04 1.09 -1.26 -1.34 121.20 126.66 2qp1 s ILE 47 Ca 0.29 0.98 -0.01 0.00 -1.10 0.00 0.00 60.65 60.82 2qp1 s ILE 47 Cb 0.05 -3.46 0.05 0.00 -1.06 0.00 0.00 42.46 38.04 2qp1 s ILE 47 CO 0.14 -0.08 -0.04 -0.31 -0.10 0.00 0.00 174.94 174.56 2qp1 s TYR 48 N -1.69 1.71 0.00 3.97 2.02 -1.26 -0.67 117.35 121.43 2qp1 s TYR 48 Ca 0.65 -1.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.18 2qp1 s TYR 48 Cb -0.24 -1.31 0.00 0.00 -0.40 0.00 0.00 41.96 40.01 2qp1 s TYR 48 CO 0.29 -0.64 0.00 1.17 -1.57 0.00 0.00 175.55 174.79 2qp1 n LYS 49 N 4.87 3.13 -2.67 -0.62 3.00 -0.46 -2.64 118.16 122.77 2qp1 n LYS 49 Ca -0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.15 2qp1 n LYS 49 Cb 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.46 2qp1 n LYS 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2qp1 n GLU 50 N 0.00 -4.16 -2.67 1.64 4.07 -1.25 -1.18 120.64 117.09 2qp1 n GLU 50 Ca 0.00 3.17 -0.05 0.00 -0.06 0.00 0.00 57.16 60.22 2qp1 n GLU 50 Cb 0.00 -4.59 0.07 0.00 -0.06 0.00 0.00 31.44 26.86 2qp1 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qp1 n ALA 51 N 1.75 -3.44 0.00 4.31 0.00 -1.22 -3.55 120.51 118.36 2qp1 n ALA 51 Ca -0.35 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2qp1 n ALA 51 Cb 0.55 -3.10 0.00 0.00 0.00 0.00 0.00 19.45 16.90 2qp1 n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13