#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knk n LEU 9 N 0.00 0.00 -4.40 3.14 0.00 -1.24 -4.34 117.00 110.16 3knk n LEU 9 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 56.01 55.75 3knk n LEU 9 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.30 3knk n LEU 9 CO 0.00 0.00 -0.52 -1.48 0.00 0.00 0.00 177.39 175.39 3knk s LEU 10 N 0.00 2.43 0.23 -1.96 2.34 -1.26 -2.35 118.68 118.11 3knk s LEU 10 Ca 0.00 -0.86 -0.22 0.00 0.06 0.00 0.00 54.13 53.11 3knk s LEU 10 Cb 0.00 -1.10 0.06 0.00 -0.56 0.00 0.00 46.19 44.59 3knk s LEU 10 CO 0.00 0.09 0.92 -0.22 -1.06 0.00 0.00 176.35 176.08 3knk s LEU 11 N -2.64 -0.09 0.36 1.48 1.98 -0.12 -4.74 118.68 114.91 3knk s LEU 11 Ca 0.19 -0.67 0.04 0.00 -2.89 0.00 0.00 54.13 50.80 3knk s LEU 11 Cb -0.08 2.35 -0.03 0.00 0.66 0.00 0.00 46.19 49.09 3knk s LEU 11 CO 0.09 -1.15 0.13 -1.83 -1.89 0.00 0.00 176.35 171.70 3knk s GLU 12 N -2.80 1.76 0.02 1.98 1.03 -1.26 0.22 118.70 119.64 3knk s GLU 12 Ca 0.16 -2.04 0.02 0.00 0.03 0.00 0.00 54.97 53.14 3knk s GLU 12 Cb -0.03 -0.44 -0.01 0.00 -0.80 0.00 0.00 34.13 32.85 3knk s GLU 12 CO 0.06 -0.43 -0.06 0.00 -1.33 0.00 0.00 175.26 173.50 3knk s THR 14 N -0.65 3.30 -0.81 0.00 -1.32 -1.19 -2.11 115.64 112.86 3knk s THR 14 Ca -0.03 -1.22 0.00 0.00 -1.21 0.00 0.00 61.69 59.23 3knk s THR 14 Cb -0.05 -2.51 0.00 0.00 -1.51 0.00 0.00 72.50 68.42 3knk s THR 14 CO 0.00 0.17 0.10 1.21 -2.21 0.00 0.00 174.62 173.88 3knk n GLU 15 N 0.89 0.16 -1.55 7.08 2.13 -1.25 -2.53 120.64 125.57 3knk n GLU 15 Ca -0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.68 3knk n GLU 15 Cb 0.52 -1.15 0.00 0.00 0.27 0.00 0.00 31.44 31.09 3knk n GLU 15 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3knk n LYS 17 N 1.31 0.00 -3.08 0.00 4.76 -1.26 -4.98 118.16 114.91 3knk n LYS 17 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3knk n LYS 17 Cb 0.11 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.30 3knk n LYS 17 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3knk n ARG 18 N -0.32 0.00 0.00 1.97 0.00 -1.26 -5.15 116.66 111.90 3knk n ARG 18 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3knk n ARG 18 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 3knk n ARG 18 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 3knk n ARG 19 N 0.00 0.00 0.00 2.89 0.00 -1.26 -4.52 116.66 113.77 3knk n ARG 19 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 3knk n ARG 19 Cb 0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 32.46 31.98 3knk n ARG 19 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 3knk n ASN 20 N -1.30 0.00 -4.00 2.89 2.85 -1.26 -4.15 115.26 110.29 3knk n ASN 20 Ca 0.00 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.38 3knk n ASN 20 Cb 0.00 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 40.94 3knk n ASN 20 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 3knk s TYR 21 N 0.00 0.49 -0.06 1.20 1.51 -0.90 -3.20 117.35 116.39 3knk s TYR 21 Ca 0.00 -0.86 0.02 0.00 -1.01 0.00 0.00 57.07 55.22 3knk s TYR 21 Cb 0.00 -0.16 -0.05 0.00 -0.11 0.00 0.00 41.96 41.64 3knk s TYR 21 CO 0.00 -0.66 -0.03 0.00 -1.11 0.00 0.00 175.55 173.75 3knk n ALA 22 N -0.17 1.86 -0.62 3.71 0.00 -1.15 -4.81 120.51 119.32 3knk n ALA 22 Ca -0.08 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3knk n ALA 22 Cb 0.63 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.34 3knk n ALA 22 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3knk n THR 23 N -2.50 -0.38 -1.73 0.00 -2.24 -1.26 -4.96 114.28 101.21 3knk n THR 23 Ca -0.11 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.64 3knk n THR 23 Cb 0.65 -1.20 0.02 0.00 -2.10 0.00 0.00 70.33 67.70 3knk n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3knk n GLU 24 N -0.59 0.19 -3.28 -0.78 -0.58 0.58 -4.90 120.64 111.28 3knk n GLU 24 Ca 0.00 -0.31 -0.18 0.00 -0.42 0.00 0.00 57.16 56.25 3knk n GLU 24 Cb 0.20 -0.13 -0.07 0.00 -0.57 0.00 0.00 31.44 30.87 3knk n GLU 24 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3knk s LYS 25 N -3.04 0.77 1.13 3.49 2.20 -1.25 -0.94 119.74 122.10 3knk s LYS 25 Ca 0.09 -1.21 -0.19 0.00 -0.36 0.00 0.00 55.97 54.30 3knk s LYS 25 Cb -0.00 -0.80 0.28 0.00 -1.51 0.00 0.00 37.83 35.80 3knk s LYS 25 CO 0.06 -1.26 0.94 0.09 -0.36 0.00 0.00 175.35 174.82 3knk n ASN 26 N 3.70 -2.31 -3.03 1.43 3.02 -0.99 -4.88 115.26 112.20 3knk n ASN 26 Ca 0.17 -1.04 -0.18 0.00 -0.03 0.00 0.00 54.58 53.49 3knk n ASN 26 Cb 0.47 -0.89 -0.03 0.00 -0.61 0.00 0.00 39.78 38.72 3knk n ASN 26 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3knk n LYS 27 N -4.64 0.72 -0.08 3.52 4.76 -1.26 -3.65 118.16 117.53 3knk n LYS 27 Ca 0.13 -2.66 0.03 0.00 -2.87 0.00 0.00 58.31 52.95 3knk n LYS 27 Cb 0.53 -1.32 0.06 0.00 -1.84 0.00 0.00 35.03 32.46 3knk n LYS 27 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3knk n ARG 28 N 1.57 -0.02 0.00 1.97 1.74 -1.26 -3.18 116.66 117.47 3knk n ARG 28 Ca 0.17 0.35 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 3knk n ARG 28 Cb 0.57 -0.56 0.00 0.00 -1.02 0.00 0.00 32.46 31.45 3knk n ARG 28 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3knk n ASN 29 N -4.13 0.00 -3.13 0.55 6.94 -1.26 -4.35 115.26 109.88 3knk n ASN 29 Ca 0.05 0.00 -0.18 0.00 -0.02 0.00 0.00 54.58 54.43 3knk n ASN 29 Cb 0.17 0.00 0.17 0.00 -2.36 0.00 0.00 39.78 37.76 3knk n ASN 29 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3knk n THR 30 N 0.00 0.00 -0.27 5.53 -2.24 -1.19 -4.60 114.28 111.51 3knk n THR 30 Ca 0.00 -0.10 -0.07 0.00 -2.27 0.00 0.00 64.05 61.61 3knk n THR 30 Cb 0.00 -0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 67.42 3knk n THR 30 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3knk n PRO 31 N -4.04 0.00 -3.95 -0.78 -0.02 -1.26 -4.89 135.00 120.06 3knk n PRO 31 Ca 0.09 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.47 3knk n PRO 31 Cb 0.36 -0.25 -0.06 0.00 -0.02 0.00 0.00 33.50 33.53 3knk n PRO 31 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3knk s ASN 32 N 1.33 -0.05 0.00 2.55 3.04 -1.26 -4.82 114.94 115.73 3knk s ASN 32 Ca 0.24 -0.86 0.00 0.00 0.04 0.00 0.00 52.86 52.28 3knk s ASN 32 Cb -0.21 0.51 0.00 0.00 -1.54 0.00 0.00 41.25 40.01 3knk s ASN 32 CO 0.09 -1.00 0.00 0.29 -3.04 0.00 0.00 177.10 173.44 3knk n LYS 33 N -0.30 0.00 -2.97 0.43 4.76 -1.26 -4.92 118.16 113.91 3knk n LYS 33 Ca -0.05 0.09 -0.12 0.00 -2.87 0.00 0.00 58.31 55.36 3knk n LYS 33 Cb 0.63 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.86 3knk n LYS 33 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3knk n LEU 34 N -0.03 -2.94 -4.56 -0.35 4.77 -1.26 -4.90 117.00 107.73 3knk n LEU 34 Ca 0.00 -0.32 -0.33 0.00 -0.03 0.00 0.00 56.01 55.33 3knk n LEU 34 Cb 0.00 -1.93 -0.04 0.00 -2.33 0.00 0.00 43.42 39.12 3knk n LEU 34 CO 0.00 0.30 1.41 -0.70 -1.33 0.00 0.00 177.39 177.07 3knk s GLU 35 N -5.29 2.86 -0.13 3.23 2.56 -1.26 -4.94 118.70 115.72 3knk s GLU 35 Ca 0.18 -0.29 0.02 0.00 0.00 0.00 0.00 54.97 54.88 3knk s GLU 35 Cb -0.08 -4.92 0.00 0.00 2.00 0.00 0.00 34.13 31.13 3knk s GLU 35 CO 0.41 -2.88 -0.20 -0.48 -0.56 0.00 0.00 175.26 171.54 3knk s LEU 36 N 8.36 2.25 0.02 2.70 0.05 -1.26 -3.78 118.68 127.03 3knk s LEU 36 Ca 0.61 -0.53 0.01 0.00 0.05 0.00 0.00 54.13 54.26 3knk s LEU 36 Cb -0.06 -1.48 -0.02 0.00 -2.05 0.00 0.00 46.19 42.58 3knk s LEU 36 CO 0.03 0.11 -0.04 -0.13 -0.55 0.00 0.00 176.35 175.77 3knk s ARG 37 N 0.64 0.35 0.24 1.48 3.00 -1.25 -5.04 118.95 118.38 3knk s ARG 37 Ca -0.10 -0.58 -0.21 0.00 0.00 0.00 0.00 55.73 54.84 3knk s ARG 37 Cb -0.16 -0.05 -0.09 0.00 0.00 0.00 0.00 34.95 34.65 3knk s ARG 37 CO 0.02 -0.01 0.77 0.21 0.00 0.00 0.00 175.30 176.29 3knk s LYS 38 N -1.29 4.32 0.07 3.54 2.20 -1.15 -3.77 119.74 123.65 3knk s LYS 38 Ca -0.12 0.96 -0.13 0.00 -0.36 0.00 0.00 55.97 56.33 3knk s LYS 38 Cb -0.09 -2.87 0.04 0.00 -1.51 0.00 0.00 37.83 33.41 3knk s LYS 38 CO -0.00 0.37 0.60 0.98 -0.36 0.00 0.00 175.35 176.94 3knk n TYR 39 N 0.70 -0.77 -5.09 4.03 9.36 -0.96 -5.01 117.16 119.42 3knk n TYR 39 Ca -0.02 -0.59 -0.28 0.00 3.32 0.00 0.00 57.90 60.33 3knk n TYR 39 Cb 0.51 0.29 -0.16 0.00 -0.63 0.00 0.00 39.34 39.35 3knk n TYR 39 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3knk s PRO 41 N -0.44 1.20 0.61 0.00 0.04 -1.26 -4.91 135.00 130.24 3knk s PRO 41 Ca 0.06 -1.33 0.31 0.00 0.04 0.00 0.00 61.00 60.08 3knk s PRO 41 Cb -0.09 -1.28 1.74 0.00 0.04 0.00 0.00 34.50 34.91 3knk s PRO 41 CO -0.00 0.27 2.11 -1.49 0.04 0.00 0.00 177.00 177.93 3knk h TRP 42 N 3.48 0.00 0.00 0.56 -0.00 -1.99 -3.29 115.95 114.70 3knk h TRP 42 Ca -0.43 0.00 -0.45 0.00 -0.00 0.00 0.00 58.89 58.01 3knk h TRP 42 Cb 1.20 0.00 0.07 0.00 -0.00 0.00 0.00 29.16 30.43 3knk h TRP 42 CO 0.66 0.00 1.73 0.00 -0.00 0.00 0.00 178.44 180.84 3knk n ARG 44 N 6.54 -4.38 -1.52 0.00 5.12 -1.24 -4.79 116.66 116.38 3knk n ARG 44 Ca 0.38 3.22 -0.45 0.00 -1.93 0.00 0.00 57.85 59.07 3knk n ARG 44 Cb 0.29 -3.59 -0.02 0.00 -1.16 0.00 0.00 32.46 27.98 3knk n ARG 44 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3knk n LYS 45 N -0.37 0.90 -0.26 5.56 4.76 -1.26 -4.53 118.16 122.96 3knk n LYS 45 Ca 0.00 0.32 -0.08 0.00 -2.87 0.00 0.00 58.31 55.67 3knk n LYS 45 Cb 0.00 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 31.60 3knk n LYS 45 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 3knk n HIS 46 N 0.00 -0.47 -0.63 2.13 1.44 -1.26 -4.93 115.22 111.50 3knk n HIS 46 Ca 0.12 0.12 0.00 0.00 -2.01 0.00 0.00 57.72 55.95 3knk n HIS 46 Cb 0.31 -0.35 0.00 0.00 0.12 0.00 0.00 29.99 30.07 3knk n HIS 46 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 3knk n THR 47 N -0.23 0.00 -0.05 0.61 -1.04 -1.13 -4.98 114.28 107.47 3knk n THR 47 Ca 0.02 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.84 3knk n THR 47 Cb 0.08 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.46 3knk n THR 47 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3knk n VAL 48 N 0.00 1.66 -1.43 12.58 0.24 -1.26 -2.26 118.33 127.85 3knk n VAL 48 Ca 0.00 -0.65 0.17 0.00 -2.04 0.00 0.00 64.34 61.82 3knk n VAL 48 Cb 0.00 -1.52 -0.09 0.00 -1.47 0.00 0.00 33.84 30.76 3knk n VAL 48 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3knk n HIS 49 N -3.34 -3.77 -0.44 6.34 8.25 -1.25 -2.92 115.22 118.08 3knk n HIS 49 Ca -0.35 2.07 0.00 0.00 -0.26 0.00 0.00 57.72 59.18 3knk n HIS 49 Cb 1.03 -3.43 0.00 0.00 1.12 0.00 0.00 29.99 28.71 3knk n HIS 49 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3knk n ARG 50 N -4.33 0.28 0.00 -0.41 5.12 -1.05 -3.87 116.66 112.40 3knk n ARG 50 Ca -0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 3knk n ARG 50 Cb 0.67 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.97 3knk n ARG 50 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3knk n GLU 51 N 0.00 0.00 0.00 5.56 1.02 -1.25 -4.21 120.64 121.76 3knk n GLU 51 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3knk n GLU 51 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3knk n GLU 51 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3knk n VAL 52 N 0.00 0.00 0.00 2.62 0.31 -1.26 -4.04 118.33 115.97 3knk n VAL 52 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3knk n VAL 52 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3knk n VAL 52 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80