#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbf s LYS 4 N 0.00 3.59 -0.16 0.38 -2.85 -1.26 -5.02 119.74 114.43 2qbf s LYS 4 Ca 0.00 0.02 -0.04 0.00 -1.00 0.00 0.00 55.97 54.95 2qbf s LYS 4 Cb 0.00 -3.20 0.06 0.00 -2.06 0.00 0.00 37.83 32.63 2qbf s LYS 4 CO 0.00 0.75 0.10 0.08 0.10 0.00 0.00 175.35 176.38 2qbf s VAL 5 N -1.02 -0.13 -0.35 1.79 1.01 -1.26 -5.09 120.40 115.36 2qbf s VAL 5 Ca 0.17 -0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 2qbf s VAL 5 Cb -0.13 -0.52 0.12 0.00 0.00 0.00 0.00 36.38 35.84 2qbf s VAL 5 CO 0.07 -0.20 0.16 -0.60 0.00 0.00 0.00 175.10 174.53 2qbf s ARG 6 N 2.17 0.80 -0.30 2.72 3.52 -1.26 -5.11 118.95 121.49 2qbf s ARG 6 Ca 0.03 -1.33 -0.11 0.00 -0.13 0.00 0.00 55.73 54.19 2qbf s ARG 6 Cb -0.15 -1.89 -0.03 0.00 -1.56 0.00 0.00 34.95 31.32 2qbf s ARG 6 CO -0.09 -1.08 0.18 -1.21 -0.81 0.00 0.00 175.30 172.30 2qbf s GLU 7 N 1.21 3.66 0.98 5.12 2.02 -1.26 -5.08 118.70 125.35 2qbf s GLU 7 Ca 0.13 -0.51 -0.11 0.00 0.02 0.00 0.00 54.97 54.50 2qbf s GLU 7 Cb -0.20 -3.64 0.18 0.00 0.10 0.00 0.00 34.13 30.57 2qbf s GLU 7 CO -0.14 -0.30 1.10 1.21 0.02 0.00 0.00 175.26 177.14 2qbf s ASN 8 N 1.70 2.42 -0.06 -0.19 2.47 -1.26 -4.65 114.94 115.36 2qbf s ASN 8 Ca 0.06 1.92 -0.05 0.00 0.42 0.00 0.00 52.86 55.22 2qbf s ASN 8 Cb -0.16 -2.46 0.02 0.00 -1.45 0.00 0.00 41.25 37.19 2qbf s ASN 8 CO 0.09 -3.37 0.09 1.21 -3.72 0.00 0.00 177.10 171.40 2qbf n GLU 9 N -4.40 -3.69 -1.68 0.43 4.07 -1.26 -4.83 120.64 109.29 2qbf n GLU 9 Ca 0.09 2.85 -0.42 0.00 -0.06 0.00 0.00 57.16 59.62 2qbf n GLU 9 Cb 0.53 -3.87 -0.03 0.00 -0.06 0.00 0.00 31.44 28.01 2qbf n GLU 9 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2qbf s PRO 10 N -0.87 4.03 0.00 5.31 0.04 -1.26 -4.78 135.00 137.48 2qbf s PRO 10 Ca -0.11 2.54 0.01 0.00 0.04 0.00 0.00 61.00 63.48 2qbf s PRO 10 Cb 0.01 -4.18 0.02 0.00 0.04 0.00 0.00 34.50 30.39 2qbf s PRO 10 CO 0.30 -1.08 0.79 1.97 0.04 0.00 0.00 177.00 179.02 2qbf n PHE 11 N 7.97 0.00 -2.72 0.56 1.16 -1.26 -5.06 117.46 118.11 2qbf n PHE 11 Ca 0.21 -0.05 0.00 0.00 -1.87 0.00 0.00 57.45 55.74 2qbf n PHE 11 Cb 0.42 0.10 0.00 0.00 -1.61 0.00 0.00 39.48 38.38 2qbf n PHE 11 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 2qbf n ASP 12 N 0.02 0.00 -4.16 5.98 5.68 -1.26 -4.89 116.55 117.92 2qbf n ASP 12 Ca -0.01 0.00 -0.34 0.00 -0.50 0.00 0.00 54.79 53.94 2qbf n ASP 12 Cb 0.64 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.47 2qbf n ASP 12 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2qbf s VAL 13 N -2.58 2.81 0.19 2.12 0.11 -1.26 -5.03 120.40 116.75 2qbf s VAL 13 Ca 0.00 -1.31 -0.16 0.00 -2.93 0.00 0.00 61.98 57.58 2qbf s VAL 13 Cb 0.00 -2.56 0.16 0.00 -1.53 0.00 0.00 36.38 32.45 2qbf s VAL 13 CO 0.00 0.01 1.63 0.00 -3.33 0.00 0.00 175.10 173.41 2qbf h ALA 14 N 7.97 0.26 -5.46 1.54 0.00 -2.05 -3.47 119.26 118.04 2qbf h ALA 14 Ca -0.25 0.19 -0.26 0.00 0.00 0.00 0.00 54.91 54.59 2qbf h ALA 14 Cb 1.07 0.47 0.19 0.00 0.00 0.00 0.00 17.79 19.52 2qbf h ALA 14 CO 0.54 -0.49 -0.84 -0.11 0.00 0.00 0.00 179.25 178.35 2qbf n LEU 15 N -5.39 -5.34 -0.16 0.00 -0.00 -1.26 -4.88 117.00 99.97 2qbf n LEU 15 Ca 0.05 -0.69 0.04 0.00 -0.00 0.00 0.00 56.01 55.41 2qbf n LEU 15 Cb 0.30 -3.18 0.17 0.00 -0.00 0.00 0.00 43.42 40.71 2qbf n LEU 15 CO 0.08 0.15 0.62 0.54 -0.00 0.00 0.00 177.39 178.78 2qbf n ARG 16 N -3.37 1.20 -0.26 1.96 3.00 -1.26 -4.10 116.66 113.83 2qbf n ARG 16 Ca -0.11 -0.31 -0.05 0.00 -0.01 0.00 0.00 57.85 57.37 2qbf n ARG 16 Cb 0.63 -1.14 0.06 0.00 0.00 0.00 0.00 32.46 32.00 2qbf n ARG 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qbf h ARG 17 N 0.53 1.00 0.75 5.56 2.47 -1.91 -2.28 114.38 120.50 2qbf h ARG 17 Ca 0.00 -0.11 -0.03 0.00 -1.26 0.00 0.00 59.98 58.58 2qbf h ARG 17 Cb 0.12 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 28.24 2qbf h ARG 17 CO 0.00 0.74 -0.45 0.74 0.56 0.00 0.00 179.97 181.56 2qbf h PHE 18 N 0.99 -1.19 -0.89 3.04 0.05 -1.98 -0.24 116.94 116.72 2qbf h PHE 18 Ca 0.25 -0.01 0.13 0.00 3.82 0.00 0.00 57.97 62.16 2qbf h PHE 18 Cb 0.02 0.42 -0.09 0.00 2.00 0.00 0.00 35.95 38.30 2qbf h PHE 18 CO -0.00 -0.68 0.50 0.87 -0.18 0.00 0.00 178.31 178.82 2qbf h LYS 19 N -1.13 0.73 -1.03 1.51 6.56 -1.85 0.32 116.57 121.69 2qbf h LYS 19 Ca -0.10 -0.04 -0.30 0.00 -1.06 0.00 0.00 60.65 59.15 2qbf h LYS 19 Cb 0.90 -0.17 -0.17 0.00 -0.57 0.00 0.00 32.23 32.22 2qbf h LYS 19 CO 0.11 0.49 0.38 0.54 -2.06 0.00 0.00 179.45 178.90 2qbf n ARG 20 N -4.78 1.71 0.00 3.15 1.74 -0.86 -3.64 116.66 113.98 2qbf n ARG 20 Ca 0.17 -1.69 0.00 0.00 -0.77 0.00 0.00 57.85 55.56 2qbf n ARG 20 Cb 0.39 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 2qbf n ARG 20 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2qbf n SER 21 N -0.39 1.91 0.00 0.55 2.88 0.10 -4.93 113.62 113.74 2qbf n SER 21 Ca 0.34 -0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2qbf n SER 21 Cb 1.12 0.97 0.00 0.00 -0.75 0.00 0.00 64.21 65.55 2qbf n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qbf n GLU 23 N -1.26 1.62 0.00 0.00 -0.58 -1.25 -4.55 120.64 114.63 2qbf n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2qbf n GLU 23 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2qbf n GLU 23 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2qbf n LYS 24 N 0.00 0.00 -0.83 3.49 0.00 -1.25 -4.59 118.16 114.98 2qbf n LYS 24 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 58.31 57.97 2qbf n LYS 24 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 35.03 35.14 2qbf n LYS 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qbf n ALA 25 N 5.89 -3.39 0.00 3.14 0.00 -1.26 -2.34 120.51 122.54 2qbf n ALA 25 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2qbf n ALA 25 Cb 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 17.83 2qbf n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbf n GLY 26 N 1.98 2.33 0.08 0.00 0.00 -1.26 -4.51 105.19 103.80 2qbf n GLY 26 Ca 0.04 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 2qbf n GLY 26 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qbf n VAL 27 N 0.00 1.07 -0.09 1.61 0.31 -0.99 -3.73 118.33 116.51 2qbf n VAL 27 Ca 0.00 -0.75 -0.17 0.00 -0.01 0.00 0.00 64.34 63.40 2qbf n VAL 27 Cb 0.00 -0.39 -0.10 0.00 -0.91 0.00 0.00 33.84 32.44 2qbf n VAL 27 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2qbf h LEU 28 N 0.00 0.00 -2.13 7.52 3.38 -1.76 -3.24 115.31 119.08 2qbf h LEU 28 Ca -0.42 -0.55 0.05 0.00 0.09 0.00 0.00 57.88 57.04 2qbf h LEU 28 Cb 1.95 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 2qbf h LEU 28 CO 0.02 1.27 0.13 0.00 0.09 0.00 0.00 178.44 179.95 2qbf h ALA 29 N -0.45 1.99 -0.04 1.53 0.00 -1.85 0.42 119.26 120.85 2qbf h ALA 29 Ca -0.22 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 2qbf h ALA 29 Cb 1.10 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2qbf h ALA 29 CO -0.13 -0.21 -0.54 1.49 0.00 0.00 0.00 179.25 179.85 2qbf h GLU 30 N 0.00 0.12 -0.00 0.00 4.81 -1.68 -3.20 114.58 114.62 2qbf h GLU 30 Ca 0.08 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2qbf h GLU 30 Cb 0.34 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2qbf h GLU 30 CO -0.00 0.63 -0.78 0.28 -0.73 0.00 0.00 179.01 178.41 2qbf n VAL 31 N -3.91 0.00 -0.01 0.32 0.31 0.30 -4.69 118.33 110.66 2qbf n VAL 31 Ca -0.02 -0.11 -0.01 0.00 -0.01 0.00 0.00 64.34 64.19 2qbf n VAL 31 Cb 0.56 1.06 -0.01 0.00 -0.91 0.00 0.00 33.84 34.54 2qbf n VAL 31 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2qbf h ARG 32 N 0.55 -0.03 0.00 5.55 2.43 -0.30 -3.43 114.38 119.15 2qbf h ARG 32 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qbf h ARG 32 Cb 0.51 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2qbf h ARG 32 CO 0.00 -0.02 0.00 0.54 -1.51 0.00 0.00 179.97 178.98 2qbf n ARG 33 N -2.91 0.64 -0.43 0.20 1.74 -1.26 -5.04 116.66 109.60 2qbf n ARG 33 Ca -0.00 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.86 2qbf n ARG 33 Cb 0.03 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 31.67 2qbf n ARG 33 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2qbf n ARG 34 N -0.33 -3.11 0.00 5.56 -4.01 -1.26 -5.02 116.66 108.48 2qbf n ARG 34 Ca 0.00 -0.92 0.00 0.00 -1.04 0.00 0.00 57.85 55.89 2qbf n ARG 34 Cb 0.00 -1.64 0.00 0.00 -3.04 0.00 0.00 32.46 27.78 2qbf n ARG 34 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 2qbf n GLU 35 N -3.16 0.00 0.10 2.89 -0.58 -1.26 -4.90 120.64 113.74 2qbf n GLU 35 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 2qbf n GLU 35 Cb 0.43 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.30 2qbf n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2qbf n PHE 36 N 0.00 -3.23 0.00 -0.32 3.01 -1.26 -5.01 117.46 110.65 2qbf n PHE 36 Ca 0.00 0.70 0.00 0.00 1.01 0.00 0.00 57.45 59.16 2qbf n PHE 36 Cb 0.00 1.98 0.00 0.00 -0.01 0.00 0.00 39.48 41.45 2qbf n PHE 36 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2qbf n TYR 37 N -3.01 0.00 -0.03 1.38 0.53 -1.26 -2.56 117.16 112.21 2qbf n TYR 37 Ca 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 57.90 56.82 2qbf n TYR 37 Cb 0.00 0.00 -0.14 0.00 -1.03 0.00 0.00 39.34 38.17 2qbf n TYR 37 CO 0.00 0.00 0.00 -0.85 -1.02 0.00 0.00 176.86 174.99 2qbf n GLU 38 N 0.00 0.65 0.07 -0.72 -0.00 -1.26 -4.28 120.64 115.10 2qbf n GLU 38 Ca 0.00 0.18 0.08 0.00 -0.00 0.00 0.00 57.16 57.41 2qbf n GLU 38 Cb 0.00 -1.71 0.52 0.00 -0.00 0.00 0.00 31.44 30.26 2qbf n GLU 38 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2qbf h LYS 39 N 0.00 0.31 -0.08 3.44 1.57 -1.92 -3.08 116.57 116.81 2qbf h LYS 39 Ca -0.32 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.34 2qbf h LYS 39 Cb 1.95 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.20 2qbf h LYS 39 CO 0.06 0.20 -0.32 -1.00 -0.57 0.00 0.00 179.45 177.82 2qbf h PRO 40 N 0.32 0.35 0.00 3.15 0.13 -1.78 0.14 132.00 134.31 2qbf h PRO 40 Ca 0.13 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2qbf h PRO 40 Cb 0.13 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.31 2qbf h PRO 40 CO -0.03 0.91 0.01 2.41 -0.23 0.00 0.00 178.00 181.08 2qbf n THR 41 N -4.42 1.05 0.00 1.56 -1.04 -1.16 -2.23 114.28 108.03 2qbf n THR 41 Ca -0.08 0.27 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 2qbf n THR 41 Cb 0.50 -1.27 0.00 0.00 -1.82 0.00 0.00 70.33 67.73 2qbf n THR 41 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2qbf n THR 42 N -1.25 0.00 -0.52 12.58 -2.24 -1.18 -4.47 114.28 117.20 2qbf n THR 42 Ca 0.00 0.00 0.42 0.00 -2.27 0.00 0.00 64.05 62.20 2qbf n THR 42 Cb 0.01 -0.37 0.69 0.00 -2.10 0.00 0.00 70.33 68.57 2qbf n THR 42 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2qbf n GLU 43 N -1.20 -0.03 -0.06 -0.78 4.07 0.47 0.20 120.64 123.32 2qbf n GLU 43 Ca 0.00 1.17 -0.15 0.00 -0.06 0.00 0.00 57.16 58.12 2qbf n GLU 43 Cb 0.00 -2.40 -0.13 0.00 -0.06 0.00 0.00 31.44 28.85 2qbf n GLU 43 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qbf h ARG 44 N 0.00 0.03 0.00 5.31 -0.00 -1.54 -3.27 114.38 114.91 2qbf h ARG 44 Ca 0.87 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 60.30 2qbf h ARG 44 Cb 2.98 0.02 0.00 0.00 0.00 0.00 0.00 29.97 32.97 2qbf h ARG 44 CO -0.34 1.02 0.00 1.63 0.00 0.00 0.00 179.97 182.28 2qbf n LYS 45 N -4.56 0.00 -0.00 0.04 5.02 0.28 -1.37 118.16 117.57 2qbf n LYS 45 Ca -0.11 0.28 0.11 0.00 -2.02 0.00 0.00 58.31 56.57 2qbf n LYS 45 Cb 0.52 -1.50 0.68 0.00 -0.02 0.00 0.00 35.03 34.70 2qbf n LYS 45 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbf n ARG 46 N -1.50 1.01 -0.01 1.97 1.74 0.52 -2.67 116.66 117.72 2qbf n ARG 46 Ca 0.03 -0.02 -0.06 0.00 -0.77 0.00 0.00 57.85 57.03 2qbf n ARG 46 Cb 0.15 -1.36 -0.12 0.00 -1.02 0.00 0.00 32.46 30.11 2qbf n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbf h ALA 47 N 3.72 0.74 -0.10 7.54 0.00 -1.38 -3.32 119.26 126.47 2qbf h ALA 47 Ca 0.00 -1.30 -0.10 0.00 0.00 0.00 0.00 54.91 53.51 2qbf h ALA 47 Cb 0.01 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2qbf h ALA 47 CO 0.00 1.41 -0.38 1.57 0.00 0.00 0.00 179.25 181.86 2qbf h LYS 48 N 0.00 0.21 0.00 0.00 5.09 -1.69 0.69 116.57 120.87 2qbf h LYS 48 Ca -0.25 -0.09 0.00 0.00 0.09 0.00 0.00 60.65 60.40 2qbf h LYS 48 Cb 1.90 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 34.22 2qbf h LYS 48 CO 0.07 0.56 0.00 0.00 -2.09 0.00 0.00 179.45 177.99 2qbf h ALA 49 N 1.44 1.00 0.00 0.07 0.00 -1.68 0.23 119.26 120.32 2qbf h ALA 49 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.50 2qbf h ALA 49 Cb 0.75 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 2qbf h ALA 49 CO 0.06 0.00 -2.47 0.45 0.00 0.00 0.00 179.25 177.29 2qbf n SER 50 N -2.69 1.94 -0.13 0.00 2.88 -0.15 -4.41 113.62 111.05 2qbf n SER 50 Ca -0.01 0.17 0.17 0.00 -1.33 0.00 0.00 58.87 57.87 2qbf n SER 50 Cb 0.13 -0.65 0.55 0.00 -0.75 0.00 0.00 64.21 63.48 2qbf n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qbf h ALA 51 N -0.63 2.21 -0.78 -1.46 0.00 0.70 0.28 119.26 119.57 2qbf h ALA 51 Ca -0.64 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.34 2qbf h ALA 51 Cb 1.68 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.37 2qbf h ALA 51 CO -0.30 -0.40 0.45 -0.24 0.00 0.00 0.00 179.25 178.76 2qbf h VAL 52 N 0.32 0.95 0.00 0.00 3.04 -1.17 -3.50 116.25 115.89 2qbf h VAL 52 Ca 0.35 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.76 2qbf h VAL 52 Cb 0.90 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.27 2qbf h VAL 52 CO -0.09 0.15 0.00 1.17 -1.01 0.00 0.00 177.57 177.78