#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qan s LYS 4 N 0.00 3.49 -0.32 0.38 3.01 -1.26 -4.99 119.74 120.05 2qan s LYS 4 Ca 0.00 -0.30 0.02 0.00 -1.01 0.00 0.00 55.97 54.68 2qan s LYS 4 Cb 0.00 -3.01 0.16 0.00 -1.01 0.00 0.00 37.83 33.97 2qan s LYS 4 CO 0.00 0.59 0.40 0.08 0.51 0.00 0.00 175.35 176.93 2qan s VAL 5 N -1.49 -0.54 -0.26 3.17 1.01 -1.26 -5.00 120.40 116.02 2qan s VAL 5 Ca 0.34 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 2qan s VAL 5 Cb -0.13 -0.84 -0.12 0.00 0.00 0.00 0.00 36.38 35.29 2qan s VAL 5 CO 0.25 -0.37 -0.32 -1.14 0.00 0.00 0.00 175.10 173.51 2qan n ARG 6 N 5.01 0.57 -3.16 2.72 0.63 -1.26 -5.07 116.66 116.10 2qan n ARG 6 Ca 0.03 0.23 -0.00 0.00 -0.92 0.00 0.00 57.85 57.20 2qan n ARG 6 Cb 0.48 -1.45 -0.00 0.00 0.45 0.00 0.00 32.46 31.94 2qan n ARG 6 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2qan n GLU 7 N -4.04 -0.57 -0.65 -0.14 -0.58 -1.26 -4.90 120.64 108.49 2qan n GLU 7 Ca -0.51 0.91 -0.29 0.00 -0.42 0.00 0.00 57.16 56.85 2qan n GLU 7 Cb 0.88 -0.93 0.23 0.00 -0.57 0.00 0.00 31.44 31.05 2qan n GLU 7 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2qan s ASN 8 N -0.70 1.53 0.13 1.62 2.47 -1.26 -4.78 114.94 113.95 2qan s ASN 8 Ca -0.00 1.61 0.00 0.00 0.42 0.00 0.00 52.86 54.89 2qan s ASN 8 Cb 0.00 -2.31 0.00 0.00 -1.45 0.00 0.00 41.25 37.49 2qan s ASN 8 CO 0.00 -3.88 0.00 1.21 -3.72 0.00 0.00 177.10 170.71 2qan n GLU 9 N -4.71 -3.12 -1.75 0.43 4.07 -1.26 -4.91 120.64 109.40 2qan n GLU 9 Ca 0.05 2.41 -0.42 0.00 -0.06 0.00 0.00 57.16 59.14 2qan n GLU 9 Cb 0.54 -2.39 -0.01 0.00 -0.06 0.00 0.00 31.44 29.52 2qan n GLU 9 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2qan n PRO 10 N 0.93 2.68 -3.15 5.31 -0.04 -1.26 -4.99 135.00 134.48 2qan n PRO 10 Ca 0.00 0.95 0.06 0.00 -0.04 0.00 0.00 63.50 64.47 2qan n PRO 10 Cb 0.00 -2.72 -0.02 0.00 -0.04 0.00 0.00 33.50 30.72 2qan n PRO 10 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2qan s PHE 11 N -0.16 -0.03 -0.01 0.54 -0.12 -1.26 -5.07 117.98 111.88 2qan s PHE 11 Ca 0.63 0.03 -0.16 0.00 -0.05 0.00 0.00 56.93 57.37 2qan s PHE 11 Cb -0.50 0.01 -0.20 0.00 -0.63 0.00 0.00 43.02 41.70 2qan s PHE 11 CO 0.51 -0.02 1.32 -0.25 -0.05 0.00 0.00 175.22 176.73 2qan n ASP 12 N 5.42 0.55 -3.92 1.98 10.43 -1.26 -4.77 116.55 124.98 2qan n ASP 12 Ca -0.06 -2.26 -0.26 0.00 2.57 0.00 0.00 54.79 54.77 2qan n ASP 12 Cb 0.56 -0.50 -0.17 0.00 1.84 0.00 0.00 41.12 42.84 2qan n ASP 12 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2qan s VAL 13 N 6.04 1.04 0.32 2.53 0.11 -1.26 -5.05 120.40 124.13 2qan s VAL 13 Ca 0.36 -0.31 0.06 0.00 -2.93 0.00 0.00 61.98 59.17 2qan s VAL 13 Cb 0.08 -1.04 0.08 0.00 -1.53 0.00 0.00 36.38 33.97 2qan s VAL 13 CO 0.18 0.37 1.77 0.00 -3.33 0.00 0.00 175.10 174.09 2qan h ALA 14 N 8.02 1.23 -5.47 1.54 0.00 -2.04 -3.46 119.26 119.07 2qan h ALA 14 Ca -0.30 -0.33 -0.41 0.00 0.00 0.00 0.00 54.91 53.87 2qan h ALA 14 Cb 1.14 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 2qan h ALA 14 CO 0.42 0.51 -0.62 -0.11 0.00 0.00 0.00 179.25 179.44 2qan n LEU 15 N -4.13 -2.06 0.21 0.00 -0.00 -1.26 -4.81 117.00 104.95 2qan n LEU 15 Ca -0.01 -0.47 0.08 0.00 -0.00 0.00 0.00 56.01 55.60 2qan n LEU 15 Cb 0.39 -2.42 0.44 0.00 -0.00 0.00 0.00 43.42 41.83 2qan n LEU 15 CO 0.41 0.26 0.77 -0.09 -0.00 0.00 0.00 177.39 178.73 2qan h ARG 16 N -1.36 0.00 -1.64 1.96 9.65 -2.03 -3.25 114.38 117.73 2qan h ARG 16 Ca -0.49 0.00 0.47 0.00 -1.10 0.00 0.00 59.98 58.86 2qan h ARG 16 Cb 1.33 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.84 2qan h ARG 16 CO 0.58 0.29 1.35 0.54 2.80 0.00 0.00 179.97 185.54 2qan n ARG 17 N -3.58 0.01 0.18 0.20 5.12 -1.26 -1.28 116.66 116.05 2qan n ARG 17 Ca -0.01 1.06 -0.15 0.00 -1.93 0.00 0.00 57.85 56.82 2qan n ARG 17 Cb 0.43 -2.52 -0.08 0.00 -1.16 0.00 0.00 32.46 29.14 2qan n ARG 17 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2qan h PHE 18 N 0.00 -1.09 -0.83 -1.55 3.04 -1.95 -1.31 116.94 113.25 2qan h PHE 18 Ca 0.78 0.02 0.16 0.00 3.98 0.00 0.00 57.97 62.90 2qan h PHE 18 Cb 3.48 0.44 -0.06 0.00 2.56 0.00 0.00 35.95 42.37 2qan h PHE 18 CO 0.00 -0.52 0.55 0.87 -2.02 0.00 0.00 178.31 177.18 2qan h LYS 19 N -0.73 0.49 -0.67 1.11 1.57 -1.49 0.12 116.57 116.97 2qan h LYS 19 Ca -0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2qan h LYS 19 Cb 0.69 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2qan h LYS 19 CO -0.14 0.33 0.00 0.54 -0.57 0.00 0.00 179.45 179.61 2qan n ARG 20 N -4.51 0.72 -1.03 3.15 3.00 -0.50 -2.44 116.66 115.04 2qan n ARG 20 Ca 0.16 0.00 0.03 0.00 -0.01 0.00 0.00 57.85 58.03 2qan n ARG 20 Cb 0.55 -1.33 0.02 0.00 0.00 0.00 0.00 32.46 31.69 2qan n ARG 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2qan n SER 21 N 0.10 0.63 0.00 0.55 3.41 0.40 -5.04 113.62 113.66 2qan n SER 21 Ca 0.00 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 2qan n SER 21 Cb 0.17 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2qan n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qan n GLU 23 N 0.00 2.83 0.00 0.00 -0.58 -1.23 -4.72 120.64 116.94 2qan n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2qan n GLU 23 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2qan n GLU 23 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2qan n LYS 24 N 0.00 0.00 -0.18 3.49 0.00 -1.26 -4.57 118.16 115.65 2qan n LYS 24 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.20 2qan n LYS 24 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 35.03 35.14 2qan n LYS 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qan n ALA 25 N 4.73 -1.97 0.00 3.14 0.00 -1.26 -0.86 120.51 124.29 2qan n ALA 25 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2qan n ALA 25 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.40 2qan n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qan n GLY 26 N -1.79 1.20 0.24 0.00 0.00 -1.26 -3.87 105.19 99.70 2qan n GLY 26 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 2qan n GLY 26 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qan n VAL 27 N 0.00 1.29 0.12 1.61 0.31 -1.20 -3.78 118.33 116.68 2qan n VAL 27 Ca 0.00 -0.36 -0.13 0.00 -0.01 0.00 0.00 64.34 63.83 2qan n VAL 27 Cb 0.00 -1.70 -0.08 0.00 -0.91 0.00 0.00 33.84 31.15 2qan n VAL 27 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2qan h LEU 28 N -0.66 -0.23 -2.13 7.52 6.46 -1.11 -1.48 115.31 123.68 2qan h LEU 28 Ca -0.58 -0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.01 2qan h LEU 28 Cb 1.58 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 41.57 2qan h LEU 28 CO -0.30 0.03 -0.05 0.00 -0.62 0.00 0.00 178.44 177.50 2qan h ALA 29 N 0.24 1.59 0.00 1.25 0.00 -1.82 -0.35 119.26 120.17 2qan h ALA 29 Ca -0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2qan h ALA 29 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2qan h ALA 29 CO 0.05 0.07 -0.00 1.49 0.00 0.00 0.00 179.25 180.85 2qan h GLU 30 N 0.00 -0.00 -0.00 0.00 4.81 -1.54 -3.17 114.58 114.67 2qan h GLU 30 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2qan h GLU 30 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2qan h GLU 30 CO 0.01 0.36 -0.13 0.28 -0.73 0.00 0.00 179.01 178.80 2qan n VAL 31 N -4.92 0.00 0.00 0.32 0.31 -0.60 -4.52 118.33 108.93 2qan n VAL 31 Ca -0.08 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2qan n VAL 31 Cb 0.19 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 2qan n VAL 31 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2qan n ARG 32 N -1.03 0.00 0.00 5.55 0.63 -0.18 -4.76 116.66 116.87 2qan n ARG 32 Ca 0.13 0.32 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 2qan n ARG 32 Cb 0.29 -1.00 0.00 0.00 0.45 0.00 0.00 32.46 32.20 2qan n ARG 32 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2qan n ARG 33 N -0.82 2.61 0.00 -0.14 0.63 -1.26 -5.03 116.66 112.64 2qan n ARG 33 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2qan n ARG 33 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2qan n ARG 33 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2qan n ARG 34 N 0.00 -0.28 0.00 -0.14 1.85 -1.26 -5.07 116.66 111.76 2qan n ARG 34 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2qan n ARG 34 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2qan n ARG 34 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2qan n GLU 35 N -1.09 0.07 0.18 2.89 -0.58 -1.26 -4.84 120.64 116.00 2qan n GLU 35 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2qan n GLU 35 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2qan n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2qan n PHE 36 N 0.00 -3.67 0.00 -0.32 3.01 -1.26 -5.01 117.46 110.21 2qan n PHE 36 Ca 0.00 1.06 0.00 0.00 1.01 0.00 0.00 57.45 59.52 2qan n PHE 36 Cb 0.00 2.53 0.00 0.00 -0.01 0.00 0.00 39.48 42.00 2qan n PHE 36 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2qan n TYR 37 N -3.34 0.00 0.00 1.38 4.02 -1.26 -3.17 117.16 114.80 2qan n TYR 37 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2qan n TYR 37 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2qan n TYR 37 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2qan n GLU 38 N 0.00 2.88 0.08 -0.72 -0.00 -1.26 -4.87 120.64 116.75 2qan n GLU 38 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 57.16 57.34 2qan n GLU 38 Cb 0.00 -0.47 0.71 0.00 -0.00 0.00 0.00 31.44 31.67 2qan n GLU 38 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2qan h LYS 39 N 0.00 0.00 0.06 3.44 1.57 -1.94 -2.98 116.57 116.72 2qan h LYS 39 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qan h LYS 39 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2qan h LYS 39 CO 0.00 0.00 -0.03 -1.00 -0.57 0.00 0.00 179.45 177.85 2qan h PRO 40 N 0.00 -0.07 0.00 3.15 0.13 -1.89 0.26 132.00 133.57 2qan h PRO 40 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2qan h PRO 40 Cb 0.78 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2qan h PRO 40 CO -0.00 0.51 0.19 0.25 -0.23 0.00 0.00 178.00 178.72 2qan n THR 41 N -4.82 1.20 0.00 1.56 -2.24 -1.13 -0.77 114.28 108.09 2qan n THR 41 Ca -0.08 0.49 0.00 0.00 -2.27 0.00 0.00 64.05 62.19 2qan n THR 41 Cb 0.30 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.04 2qan n THR 41 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qan n THR 42 N -1.30 0.00 -0.32 4.28 -2.24 -1.18 -4.27 114.28 109.25 2qan n THR 42 Ca 0.00 0.00 0.22 0.00 -2.27 0.00 0.00 64.05 62.00 2qan n THR 42 Cb 0.19 -0.56 0.50 0.00 -2.10 0.00 0.00 70.33 68.36 2qan n THR 42 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2qan h GLU 43 N 0.00 0.40 0.12 -0.78 4.57 -0.54 0.65 114.58 119.00 2qan h GLU 43 Ca 0.00 -0.02 -0.30 0.00 -1.18 0.00 0.00 59.36 57.85 2qan h GLU 43 Cb 0.00 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.50 2qan h GLU 43 CO 0.00 0.26 -1.48 0.00 -1.18 0.00 0.00 179.01 176.61 2qan h ARG 44 N 0.41 0.26 -0.01 1.92 -0.00 -0.93 -3.25 114.38 112.79 2qan h ARG 44 Ca 0.59 -0.45 0.00 0.00 -0.50 0.00 0.00 59.98 59.62 2qan h ARG 44 Cb 1.47 0.17 0.00 0.00 0.00 0.00 0.00 29.97 31.61 2qan h ARG 44 CO -0.31 1.14 0.00 1.63 0.00 0.00 0.00 179.97 182.44 2qan n LYS 45 N -3.48 1.04 0.00 0.04 5.02 0.44 -2.41 118.16 118.82 2qan n LYS 45 Ca -0.15 -0.06 0.12 0.00 -2.02 0.00 0.00 58.31 56.19 2qan n LYS 45 Cb 1.04 -1.28 0.13 0.00 -0.02 0.00 0.00 35.03 34.90 2qan n LYS 45 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qan n ARG 46 N -0.71 0.93 0.23 1.97 1.74 0.20 -3.87 116.66 117.15 2qan n ARG 46 Ca 0.13 -0.70 0.15 0.00 -0.77 0.00 0.00 57.85 56.66 2qan n ARG 46 Cb 0.08 -1.49 0.48 0.00 -1.02 0.00 0.00 32.46 30.51 2qan n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qan h ALA 47 N 3.70 1.00 0.24 7.54 0.00 -1.62 -2.92 119.26 127.20 2qan h ALA 47 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 2qan h ALA 47 Cb 0.64 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.46 2qan h ALA 47 CO 0.00 0.00 -1.46 1.57 0.00 0.00 0.00 179.25 179.36 2qan h LYS 48 N 0.00 0.52 0.00 0.00 5.09 -1.78 0.61 116.57 121.00 2qan h LYS 48 Ca 0.00 -0.88 0.00 0.00 0.09 0.00 0.00 60.65 59.86 2qan h LYS 48 Cb 0.68 0.33 0.00 0.00 0.10 0.00 0.00 32.23 33.33 2qan h LYS 48 CO 0.00 1.42 0.17 0.00 -2.09 0.00 0.00 179.45 178.95 2qan h ALA 49 N 0.20 1.14 0.00 0.07 0.00 -1.71 0.22 119.26 119.19 2qan h ALA 49 Ca -0.24 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.38 2qan h ALA 49 Cb 2.15 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.90 2qan h ALA 49 CO 0.27 -0.14 -2.04 -1.13 0.00 0.00 0.00 179.25 176.21 2qan n SER 50 N -2.54 2.37 0.31 0.00 3.41 -1.14 -4.42 113.62 111.61 2qan n SER 50 Ca -0.02 -0.04 0.19 0.00 -0.26 0.00 0.00 58.87 58.74 2qan n SER 50 Cb 0.21 -0.34 0.98 0.00 -0.26 0.00 0.00 64.21 64.80 2qan n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qan h ALA 51 N -0.13 1.31 -0.71 7.33 0.00 0.19 -0.61 119.26 126.65 2qan h ALA 51 Ca -0.42 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 54.63 2qan h ALA 51 Cb 1.59 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 2qan h ALA 51 CO -0.11 -0.19 0.48 -0.24 0.00 0.00 0.00 179.25 179.19 2qan h VAL 52 N 0.00 0.81 0.00 0.00 3.04 -0.85 -3.49 116.25 115.76 2qan h VAL 52 Ca 0.02 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 2qan h VAL 52 Cb 0.37 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.04 2qan h VAL 52 CO -0.00 0.07 0.00 1.17 -1.01 0.00 0.00 177.57 177.80