#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno n LEU 9 N 0.00 0.00 -4.65 -5.58 4.77 -1.26 -3.84 117.00 106.43 3kno n LEU 9 Ca 0.00 0.00 -0.59 0.00 -0.03 0.00 0.00 56.01 55.39 3kno n LEU 9 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 3kno n LEU 9 CO 0.00 0.00 1.05 0.18 -1.33 0.00 0.00 177.39 177.29 3kno n LEU 10 N 0.00 1.52 -3.63 2.23 7.99 -1.26 -3.89 117.00 119.96 3kno n LEU 10 Ca 0.00 1.13 -0.02 0.00 -0.01 0.00 0.00 56.01 57.11 3kno n LEU 10 Cb 0.00 -1.06 -0.04 0.00 -0.11 0.00 0.00 43.42 42.21 3kno n LEU 10 CO 0.00 -0.93 0.30 -0.22 -1.51 0.00 0.00 177.39 175.03 3kno s LEU 11 N 2.04 -1.08 0.21 2.23 1.98 0.18 -4.89 118.68 119.36 3kno s LEU 11 Ca 0.95 1.51 0.00 0.00 -2.89 0.00 0.00 54.13 53.71 3kno s LEU 11 Cb -1.17 2.27 -0.04 0.00 0.66 0.00 0.00 46.19 47.91 3kno s LEU 11 CO 0.63 -0.21 0.39 -1.83 -1.89 0.00 0.00 176.35 173.43 3kno s GLU 12 N 2.67 3.50 0.14 1.98 1.03 -1.26 0.13 118.70 126.88 3kno s GLU 12 Ca -0.06 -0.42 -0.04 0.00 0.03 0.00 0.00 54.97 54.47 3kno s GLU 12 Cb -0.10 -2.85 -0.05 0.00 -0.80 0.00 0.00 34.13 30.33 3kno s GLU 12 CO -0.19 0.40 0.37 0.00 -1.33 0.00 0.00 175.26 174.51 3kno s THR 14 N -1.66 3.66 0.00 0.00 -1.32 -1.26 -2.86 115.64 112.20 3kno s THR 14 Ca 0.41 -1.42 0.00 0.00 -1.21 0.00 0.00 61.69 59.47 3kno s THR 14 Cb -0.12 -3.21 0.00 0.00 -1.51 0.00 0.00 72.50 67.66 3kno s THR 14 CO 0.25 -0.35 0.17 1.21 -2.21 0.00 0.00 174.62 173.69 3kno n GLU 15 N 4.76 0.00 0.00 7.08 2.13 -1.08 -3.64 120.64 129.89 3kno n GLU 15 Ca -0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.72 3kno n GLU 15 Cb 0.43 -0.80 0.00 0.00 0.27 0.00 0.00 31.44 31.34 3kno n GLU 15 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kno n LYS 17 N 0.00 0.00 0.00 0.00 0.00 -1.26 -4.80 118.16 112.10 3kno n LYS 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3kno n LYS 17 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3kno n LYS 17 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3kno n ARG 18 N -0.27 0.00 0.00 1.64 1.85 -1.25 -5.15 116.66 113.49 3kno n ARG 18 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3kno n ARG 18 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3kno n ARG 18 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 3kno n ARG 19 N 0.00 0.00 -0.41 2.89 0.00 -1.26 -4.70 116.66 113.18 3kno n ARG 19 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3kno n ARG 19 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 3kno n ARG 19 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 3kno n ASN 20 N 0.00 0.00 -3.67 2.89 4.05 -1.26 -2.63 115.26 114.64 3kno n ASN 20 Ca 0.00 0.00 -0.11 0.00 0.45 0.00 0.00 54.58 54.92 3kno n ASN 20 Cb 0.00 -1.23 -0.09 0.00 1.23 0.00 0.00 39.78 39.69 3kno n ASN 20 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 3kno s TYR 21 N -3.93 -0.75 -0.17 1.20 1.51 -1.20 -4.09 117.35 109.92 3kno s TYR 21 Ca 0.00 1.65 -0.10 0.00 -1.01 0.00 0.00 57.07 57.61 3kno s TYR 21 Cb 0.00 0.35 -0.22 0.00 -0.11 0.00 0.00 41.96 41.97 3kno s TYR 21 CO 0.00 -0.38 0.21 0.00 -1.11 0.00 0.00 175.55 174.27 3kno n ALA 22 N 3.57 0.95 -1.02 3.71 0.00 -1.14 -4.86 120.51 121.72 3kno n ALA 22 Ca -0.18 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.60 3kno n ALA 22 Cb 0.57 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.49 3kno n ALA 22 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kno n THR 23 N -3.74 -2.03 -3.34 0.00 -2.24 -1.26 -4.88 114.28 96.79 3kno n THR 23 Ca -0.35 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3kno n THR 23 Cb 0.94 -2.70 0.00 0.00 -2.10 0.00 0.00 70.33 66.47 3kno n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kno n GLU 24 N 0.34 0.00 -3.86 -0.78 -0.58 0.34 -4.82 120.64 111.28 3kno n GLU 24 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 3kno n GLU 24 Cb 0.00 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 30.73 3kno n GLU 24 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3kno s LYS 25 N -0.64 0.04 0.00 3.49 1.02 -1.26 0.51 119.74 122.89 3kno s LYS 25 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.04 3kno s LYS 25 Cb 0.00 0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 3kno s LYS 25 CO 0.00 -0.01 0.00 0.09 -0.92 0.00 0.00 175.35 174.51 3kno n ASN 26 N 3.07 0.28 -2.46 2.83 5.03 -1.25 -4.98 115.26 117.79 3kno n ASN 26 Ca -0.12 0.00 -0.03 0.00 0.87 0.00 0.00 54.58 55.30 3kno n ASN 26 Cb 0.60 0.00 0.09 0.00 -1.02 0.00 0.00 39.78 39.45 3kno n ASN 26 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3kno n LYS 27 N 0.00 1.01 0.00 3.52 4.76 -1.25 -2.60 118.16 123.61 3kno n LYS 27 Ca 0.00 -1.06 0.00 0.00 -2.87 0.00 0.00 58.31 54.38 3kno n LYS 27 Cb 0.00 0.24 0.00 0.00 -1.84 0.00 0.00 35.03 33.43 3kno n LYS 27 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3kno n ARG 28 N -1.04 0.00 0.00 1.97 1.74 -1.26 -2.74 116.66 115.32 3kno n ARG 28 Ca -0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 3kno n ARG 28 Cb 0.79 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.23 3kno n ARG 28 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3kno n ASN 29 N 0.00 0.00 -3.84 0.55 3.02 -1.26 -4.21 115.26 109.52 3kno n ASN 29 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 3kno n ASN 29 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 3kno n ASN 29 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3kno n THR 30 N 0.00 1.15 -0.01 3.41 -2.24 -1.11 -3.85 114.28 111.63 3kno n THR 30 Ca 0.00 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3kno n THR 30 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3kno n THR 30 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3kno n PRO 31 N 1.04 0.00 0.00 -0.78 -0.02 -1.26 -4.41 135.00 129.57 3kno n PRO 31 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3kno n PRO 31 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.77 3kno n PRO 31 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3kno n ASN 32 N 0.03 0.00 0.00 2.55 5.15 -1.25 -4.48 115.26 117.26 3kno n ASN 32 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3kno n ASN 32 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3kno n ASN 32 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3kno n LYS 33 N -0.57 0.00 0.00 1.20 4.76 -1.26 -4.75 118.16 117.54 3kno n LYS 33 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3kno n LYS 33 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3kno n LYS 33 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3kno n LEU 34 N 0.00 0.00 -4.71 -0.35 4.77 -1.26 -5.12 117.00 110.33 3kno n LEU 34 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 3kno n LEU 34 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3kno n LEU 34 CO 0.00 0.00 0.92 -0.70 -1.33 0.00 0.00 177.39 176.28 3kno s GLU 35 N -0.08 4.40 -0.30 3.23 2.56 -1.26 -5.01 118.70 122.24 3kno s GLU 35 Ca 0.00 1.80 0.02 0.00 0.00 0.00 0.00 54.97 56.79 3kno s GLU 35 Cb 0.00 -3.37 0.16 0.00 2.00 0.00 0.00 34.13 32.92 3kno s GLU 35 CO 0.00 -0.31 0.40 -0.48 -0.56 0.00 0.00 175.26 174.31 3kno s LEU 36 N 1.25 -0.64 0.20 2.70 2.34 -1.26 -4.12 118.68 119.14 3kno s LEU 36 Ca 0.59 -0.61 0.11 0.00 0.06 0.00 0.00 54.13 54.28 3kno s LEU 36 Cb -0.30 0.98 -0.04 0.00 -0.56 0.00 0.00 46.19 46.27 3kno s LEU 36 CO 0.28 -0.34 -0.22 -0.13 -1.06 0.00 0.00 176.35 174.89 3kno s ARG 37 N 2.35 1.46 0.39 1.48 3.00 -1.14 -4.99 118.95 121.50 3kno s ARG 37 Ca 0.11 -1.52 -0.24 0.00 0.00 0.00 0.00 55.73 54.08 3kno s ARG 37 Cb -0.13 -1.66 -0.09 0.00 0.00 0.00 0.00 34.95 33.07 3kno s ARG 37 CO -0.26 0.35 1.04 0.15 0.00 0.00 0.00 175.30 176.57 3kno s LYS 38 N -2.83 4.20 -0.30 3.54 1.02 -1.26 -4.17 119.74 119.95 3kno s LYS 38 Ca 0.20 1.50 -0.18 0.00 0.02 0.00 0.00 55.97 57.51 3kno s LYS 38 Cb -0.07 -2.56 0.19 0.00 -0.52 0.00 0.00 37.83 34.87 3kno s LYS 38 CO 0.09 -0.11 1.23 -0.47 -0.92 0.00 0.00 175.35 175.18 3kno s TYR 39 N -1.66 -0.17 0.35 3.18 5.04 -1.24 -5.04 117.35 117.81 3kno s TYR 39 Ca 0.57 0.31 -0.28 0.00 -2.44 0.00 0.00 57.07 55.23 3kno s TYR 39 Cb -0.22 0.10 -0.12 0.00 0.35 0.00 0.00 41.96 42.07 3kno s TYR 39 CO 0.27 -0.09 1.32 0.00 -1.34 0.00 0.00 175.55 175.72 3kno s PRO 41 N -1.89 2.11 0.00 0.00 0.04 -1.26 -4.73 135.00 129.27 3kno s PRO 41 Ca 0.55 -0.93 0.00 0.00 0.04 0.00 0.00 61.00 60.66 3kno s PRO 41 Cb -0.55 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 31.87 3kno s PRO 41 CO 0.62 0.56 0.73 1.87 0.04 0.00 0.00 177.00 180.82 3kno n TRP 42 N 2.14 0.00 -3.09 0.56 -0.00 -1.26 -3.05 117.44 112.75 3kno n TRP 42 Ca -0.16 0.00 -0.33 0.00 -0.00 0.00 0.00 57.50 57.00 3kno n TRP 42 Cb 0.52 -0.25 -0.03 0.00 -0.00 0.00 0.00 31.31 31.55 3kno n TRP 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3kno n ARG 44 N 0.58 0.00 -0.56 0.00 5.12 -1.17 -4.92 116.66 115.71 3kno n ARG 44 Ca 0.32 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.24 3kno n ARG 44 Cb 0.36 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.66 3kno n ARG 44 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3kno n LYS 45 N -1.98 0.00 -0.35 5.56 4.76 -1.18 -5.01 118.16 119.96 3kno n LYS 45 Ca 0.00 0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 3kno n LYS 45 Cb 0.00 -0.42 0.00 0.00 -1.84 0.00 0.00 35.03 32.77 3kno n LYS 45 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 3kno n HIS 46 N -0.04 0.00 -0.55 2.13 1.44 -1.26 -4.86 115.22 112.07 3kno n HIS 46 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3kno n HIS 46 Cb 0.00 -0.12 0.00 0.00 0.12 0.00 0.00 29.99 29.99 3kno n HIS 46 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 3kno n THR 47 N 0.52 0.00 -0.09 0.61 -1.04 -1.25 -4.86 114.28 108.17 3kno n THR 47 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 3kno n THR 47 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 3kno n THR 47 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3kno n VAL 48 N 0.00 1.49 -0.22 12.58 0.31 -1.26 -3.74 118.33 127.49 3kno n VAL 48 Ca 0.00 0.05 0.03 0.00 -0.01 0.00 0.00 64.34 64.40 3kno n VAL 48 Cb 0.00 -2.19 -0.01 0.00 -0.91 0.00 0.00 33.84 30.73 3kno n VAL 48 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3kno n HIS 49 N -4.49 -0.59 0.00 3.52 8.25 -1.24 -2.88 115.22 117.79 3kno n HIS 49 Ca -0.23 0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3kno n HIS 49 Cb 0.53 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.10 3kno n HIS 49 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3kno n ARG 50 N -2.51 0.00 0.00 -0.41 5.12 -1.24 -4.33 116.66 113.29 3kno n ARG 50 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 3kno n ARG 50 Cb 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.41 3kno n ARG 50 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3kno n GLU 51 N 0.00 0.00 0.00 5.56 1.02 -1.26 -4.37 120.64 121.59 3kno n GLU 51 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3kno n GLU 51 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3kno n GLU 51 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3kno n VAL 52 N 0.00 0.00 0.00 2.62 0.31 -1.25 -4.50 118.33 115.51 3kno n VAL 52 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kno n VAL 52 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3kno n VAL 52 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80