#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy n ARG 6 N 0.00 2.48 0.00 1.45 3.00 -1.26 -3.25 116.66 119.08 3kiy n ARG 6 Ca 0.00 -2.38 0.00 0.00 -0.01 0.00 0.00 57.85 55.46 3kiy n ARG 6 Cb 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 32.46 30.49 3kiy n ARG 6 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 3kiy n ILE 7 N -0.48 0.00 0.37 0.55 0.13 -1.26 -4.76 119.36 113.92 3kiy n ILE 7 Ca 0.41 0.00 0.11 0.00 -1.10 0.00 0.00 62.75 62.17 3kiy n ILE 7 Cb 1.32 0.62 0.18 0.00 -0.84 0.00 0.00 39.64 40.91 3kiy n ILE 7 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 3kiy n LYS 8 N 0.00 2.33 0.00 9.51 3.00 -1.22 -2.02 118.16 129.76 3kiy n LYS 8 Ca 0.00 -2.13 0.00 0.00 -0.00 0.00 0.00 58.31 56.18 3kiy n LYS 8 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 35.03 33.57 3kiy n LYS 8 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 3kiy n LEU 9 N 1.33 0.00 -4.79 3.14 -0.00 -1.20 -3.26 117.00 112.22 3kiy n LEU 9 Ca 0.17 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.82 3kiy n LEU 9 Cb 0.56 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.92 3kiy n LEU 9 CO 0.14 0.00 0.58 -1.48 -0.00 0.00 0.00 177.39 176.64 3kiy s LEU 10 N 0.00 4.30 0.00 1.47 2.34 -1.26 -2.99 118.68 122.55 3kiy s LEU 10 Ca 0.00 1.70 0.00 0.00 0.06 0.00 0.00 54.13 55.89 3kiy s LEU 10 Cb 0.00 -3.94 0.00 0.00 -0.56 0.00 0.00 46.19 41.69 3kiy s LEU 10 CO 0.00 -0.07 0.00 0.00 -1.06 0.00 0.00 176.35 175.22 3kiy n LEU 11 N 0.49 0.00 -4.19 1.48 -0.00 0.26 -4.74 117.00 110.30 3kiy n LEU 11 Ca 0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.90 3kiy n LEU 11 Cb 0.51 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.83 3kiy n LEU 11 CO 0.43 0.00 -0.21 -1.61 -0.00 0.00 0.00 177.39 176.00 3kiy s GLU 12 N -1.10 1.25 -0.06 1.47 2.02 -1.08 0.27 118.70 121.46 3kiy s GLU 12 Ca 0.00 -1.63 0.01 0.00 0.02 0.00 0.00 54.97 53.37 3kiy s GLU 12 Cb 0.00 0.28 0.02 0.00 0.10 0.00 0.00 34.13 34.53 3kiy s GLU 12 CO 0.00 -0.42 -0.07 0.00 0.02 0.00 0.00 175.26 174.80 3kiy s THR 14 N 0.97 2.49 0.39 0.00 -1.32 -1.02 -2.22 115.64 114.94 3kiy s THR 14 Ca -0.10 -1.32 -0.25 0.00 -1.21 0.00 0.00 61.69 58.81 3kiy s THR 14 Cb -0.14 -2.35 -0.12 0.00 -1.51 0.00 0.00 72.50 68.38 3kiy s THR 14 CO 0.00 0.10 0.93 1.21 -2.21 0.00 0.00 174.62 174.65 3kiy n GLU 15 N 4.56 1.20 -0.11 7.08 2.13 -1.24 -2.98 120.64 131.27 3kiy n GLU 15 Ca -0.16 0.43 -0.15 0.00 0.66 0.00 0.00 57.16 57.95 3kiy n GLU 15 Cb 0.45 -1.90 0.14 0.00 0.27 0.00 0.00 31.44 30.41 3kiy n GLU 15 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kiy n LYS 17 N -3.81 -3.77 -0.18 0.00 4.01 -1.26 -4.82 118.16 108.33 3kiy n LYS 17 Ca 0.07 0.65 0.00 0.00 -0.51 0.00 0.00 58.31 58.52 3kiy n LYS 17 Cb 0.29 -4.99 0.00 0.00 -0.51 0.00 0.00 35.03 29.83 3kiy n LYS 17 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3kiy n ARG 18 N -3.18 0.00 -0.20 1.97 3.00 -1.22 -4.93 116.66 112.09 3kiy n ARG 18 Ca -0.07 0.00 0.03 0.00 -0.01 0.00 0.00 57.85 57.79 3kiy n ARG 18 Cb 0.58 -0.18 -0.01 0.00 0.00 0.00 0.00 32.46 32.86 3kiy n ARG 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3kiy n ARG 19 N -0.91 -0.41 -1.78 5.56 3.00 -1.26 -4.86 116.66 115.99 3kiy n ARG 19 Ca 0.00 0.27 0.00 0.00 -0.01 0.00 0.00 57.85 58.11 3kiy n ARG 19 Cb 0.08 -0.50 0.00 0.00 0.00 0.00 0.00 32.46 32.04 3kiy n ARG 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3kiy n ASN 20 N -3.67 -8.17 0.00 0.55 3.02 -1.26 -4.15 115.26 101.58 3kiy n ASN 20 Ca 0.00 1.19 0.00 0.00 -0.03 0.00 0.00 54.58 55.74 3kiy n ASN 20 Cb 0.09 -4.44 0.00 0.00 -0.61 0.00 0.00 39.78 34.82 3kiy n ASN 20 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3kiy n TYR 21 N 1.25 0.00 0.00 3.10 4.02 -1.26 -3.65 117.16 120.62 3kiy n TYR 21 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3kiy n TYR 21 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3kiy n TYR 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kiy n ALA 22 N -3.00 0.22 -1.94 -0.72 0.00 -0.94 -4.89 120.51 109.24 3kiy n ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kiy n ALA 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kiy n ALA 22 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kiy n THR 23 N -0.72-12.69 -3.74 0.00 -2.24 -1.26 -4.86 114.28 88.78 3kiy n THR 23 Ca 0.00 3.16 0.00 0.00 -2.27 0.00 0.00 64.05 64.94 3kiy n THR 23 Cb 0.00 -5.28 0.00 0.00 -2.10 0.00 0.00 70.33 62.95 3kiy n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kiy n GLU 24 N 1.75 0.20 -3.86 -0.78 -0.58 0.76 -4.88 120.64 113.25 3kiy n GLU 24 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 3kiy n GLU 24 Cb 0.00 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 30.71 3kiy n GLU 24 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3kiy s LYS 25 N -1.21 1.23 0.00 3.49 2.20 -1.26 -0.58 119.74 123.61 3kiy s LYS 25 Ca 0.00 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 54.90 3kiy s LYS 25 Cb 0.00 -2.32 0.00 0.00 -1.51 0.00 0.00 37.83 34.00 3kiy s LYS 25 CO 0.00 -0.59 0.00 -1.71 -0.36 0.00 0.00 175.35 172.69 3kiy n ASN 26 N 4.84 0.00 0.00 1.43 2.85 -1.16 -4.99 115.26 118.23 3kiy n ASN 26 Ca -0.11 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.36 3kiy n ASN 26 Cb 0.46 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.48 3kiy n ASN 26 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 3kiy n LYS 27 N 0.00 0.00 0.00 1.20 0.00 -1.25 -4.89 118.16 113.22 3kiy n LYS 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3kiy n LYS 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3kiy n LYS 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3kiy n ARG 28 N 0.00 0.00 0.02 1.64 1.74 -0.86 -1.15 116.66 118.06 3kiy n ARG 28 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 3kiy n ARG 28 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.35 3kiy n ARG 28 CO 0.00 0.00 0.00 -2.95 -1.52 0.00 0.00 177.63 173.16 3kiy h ASN 29 N 0.00 -0.09 -2.57 0.55 7.08 -1.78 -3.38 115.58 115.39 3kiy h ASN 29 Ca 0.00 -0.44 -0.58 0.00 -3.08 0.00 0.00 56.30 52.20 3kiy h ASN 29 Cb 0.00 0.02 0.19 0.00 -2.08 0.00 0.00 38.32 36.45 3kiy h ASN 29 CO 0.00 0.43 -0.86 1.07 -2.08 0.00 0.00 177.43 175.99 3kiy n THR 30 N -4.89 1.00 -0.19 6.14 5.66 -0.30 -3.83 114.28 117.86 3kiy n THR 30 Ca -0.08 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.45 3kiy n THR 30 Cb 0.27 -0.36 0.00 0.00 -1.55 0.00 0.00 70.33 68.68 3kiy n THR 30 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3kiy n PRO 31 N 0.62 0.00 -3.30 1.09 -0.02 -1.26 -4.68 135.00 127.45 3kiy n PRO 31 Ca 0.08 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.59 3kiy n PRO 31 Cb 0.49 -0.19 -0.02 0.00 -0.02 0.00 0.00 33.50 33.76 3kiy n PRO 31 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3kiy s ASN 32 N 0.49 -1.17 -0.03 2.55 0.01 -1.25 -5.05 114.94 110.49 3kiy s ASN 32 Ca 0.00 0.99 -0.03 0.00 -0.71 0.00 0.00 52.86 53.11 3kiy s ASN 32 Cb 0.00 2.08 -0.01 0.00 0.41 0.00 0.00 41.25 43.73 3kiy s ASN 32 CO 0.00 -0.22 -0.06 1.17 -1.51 0.00 0.00 177.10 176.48 3kiy n LYS 33 N 5.41 0.09 -3.37 -0.60 4.81 -1.26 -4.47 118.16 118.76 3kiy n LYS 33 Ca -0.05 0.05 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 3kiy n LYS 33 Cb 0.51 -0.68 -0.09 0.00 0.02 0.00 0.00 35.03 34.80 3kiy n LYS 33 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3kiy s LEU 34 N -5.50 -0.46 0.57 3.14 0.20 -1.26 -5.06 118.68 110.32 3kiy s LEU 34 Ca -0.05 -0.36 -0.18 0.00 0.69 0.00 0.00 54.13 54.23 3kiy s LEU 34 Cb 0.01 0.80 -0.08 0.00 -0.43 0.00 0.00 46.19 46.49 3kiy s LEU 34 CO 0.07 -0.35 0.64 1.21 -0.29 0.00 0.00 176.35 177.63 3kiy n GLU 35 N 5.34 0.61 -3.15 1.98 4.07 -1.26 -4.87 120.64 123.36 3kiy n GLU 35 Ca -0.02 0.24 0.05 0.00 -0.06 0.00 0.00 57.16 57.37 3kiy n GLU 35 Cb 0.48 -1.82 -0.01 0.00 -0.06 0.00 0.00 31.44 30.03 3kiy n GLU 35 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 3kiy s LEU 36 N 0.03 -0.55 0.08 4.31 2.96 -1.26 -2.01 118.68 122.23 3kiy s LEU 36 Ca 0.71 0.30 -0.11 0.00 -0.22 0.00 0.00 54.13 54.81 3kiy s LEU 36 Cb -0.44 1.45 0.01 0.00 0.50 0.00 0.00 46.19 47.71 3kiy s LEU 36 CO 0.52 -0.10 0.26 0.00 -1.32 0.00 0.00 176.35 175.71 3kiy s ARG 37 N 2.94 0.86 0.06 1.98 1.70 -1.11 -5.05 118.95 120.34 3kiy s ARG 37 Ca 0.04 -0.77 -0.31 0.00 -0.47 0.00 0.00 55.73 54.23 3kiy s ARG 37 Cb -0.10 0.36 -0.07 0.00 -0.57 0.00 0.00 34.95 34.58 3kiy s ARG 37 CO -0.13 -0.29 1.40 0.21 -1.08 0.00 0.00 175.30 175.40 3kiy s LYS 38 N -3.41 4.31 0.21 3.89 2.20 -1.23 -4.09 119.74 121.62 3kiy s LYS 38 Ca 0.01 2.03 -0.02 0.00 -0.36 0.00 0.00 55.97 57.62 3kiy s LYS 38 Cb 0.02 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.94 3kiy s LYS 38 CO -0.09 -0.50 0.32 0.66 -0.36 0.00 0.00 175.35 175.38 3kiy n TYR 39 N 4.63 -1.16 -4.49 4.03 4.02 -0.47 -4.96 117.16 118.76 3kiy n TYR 39 Ca 0.12 -1.35 -0.28 0.00 -0.01 0.00 0.00 57.90 56.38 3kiy n TYR 39 Cb 0.43 0.36 -0.17 0.00 -0.02 0.00 0.00 39.34 39.95 3kiy n TYR 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kiy s PRO 41 N 0.95 3.57 0.00 0.00 0.04 -1.26 -4.92 135.00 133.38 3kiy s PRO 41 Ca -0.08 -0.16 0.02 0.00 0.04 0.00 0.00 61.00 60.82 3kiy s PRO 41 Cb -0.15 -2.70 0.11 0.00 0.04 0.00 0.00 34.50 31.80 3kiy s PRO 41 CO -0.01 0.24 0.45 1.87 0.04 0.00 0.00 177.00 179.60 3kiy n TRP 42 N -1.08 0.00 -3.83 0.56 -0.00 -1.26 -3.93 117.44 107.90 3kiy n TRP 42 Ca -0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 57.50 57.17 3kiy n TRP 42 Cb 0.54 0.00 -0.15 0.00 -0.00 0.00 0.00 31.31 31.71 3kiy n TRP 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3kiy n ARG 44 N 4.41 0.00 -1.33 0.00 1.74 -1.25 -4.99 116.66 115.24 3kiy n ARG 44 Ca 0.02 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.07 3kiy n ARG 44 Cb 0.41 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.85 3kiy n ARG 44 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kiy n LYS 45 N 0.00 0.99 -0.47 5.56 5.02 -1.26 -4.73 118.16 123.27 3kiy n LYS 45 Ca 0.00 -0.43 -0.28 0.00 -2.02 0.00 0.00 58.31 55.58 3kiy n LYS 45 Cb 0.00 -0.02 0.22 0.00 -0.02 0.00 0.00 35.03 35.21 3kiy n LYS 45 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3kiy n HIS 46 N -1.12 -2.24 -4.04 2.13 8.25 -1.26 -4.18 115.22 112.76 3kiy n HIS 46 Ca 0.02 -0.22 0.04 0.00 -0.26 0.00 0.00 57.72 57.30 3kiy n HIS 46 Cb 0.08 -1.49 0.01 0.00 1.12 0.00 0.00 29.99 29.71 3kiy n HIS 46 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 3kiy n THR 47 N -4.96 0.00 0.00 1.59 5.66 0.26 -4.91 114.28 111.92 3kiy n THR 47 Ca 0.05 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 3kiy n THR 47 Cb 0.54 0.47 0.00 0.00 -1.55 0.00 0.00 70.33 69.79 3kiy n THR 47 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 3kiy n VAL 48 N -0.91 0.00 0.00 1.08 0.24 -1.26 -1.36 118.33 116.11 3kiy n VAL 48 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 3kiy n VAL 48 Cb 0.54 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 3kiy n VAL 48 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3kiy n HIS 49 N 0.00 0.00 -4.91 6.34 8.25 -1.25 -3.48 115.22 120.16 3kiy n HIS 49 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.18 3kiy n HIS 49 Cb 0.00 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 30.96 3kiy n HIS 49 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3kiy s ARG 50 N -2.17 1.70 0.54 -0.41 1.70 -1.16 -2.77 118.95 116.39 3kiy s ARG 50 Ca 0.00 -0.96 -0.21 0.00 -0.47 0.00 0.00 55.73 54.10 3kiy s ARG 50 Cb 0.00 -1.77 -0.06 0.00 -0.57 0.00 0.00 34.95 32.54 3kiy s ARG 50 CO 0.00 0.47 1.04 -1.91 -1.08 0.00 0.00 175.30 173.82 3kiy n GLU 51 N 2.06 1.17 0.00 3.89 2.13 -0.85 -2.43 120.64 126.61 3kiy n GLU 51 Ca -0.16 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.09 3kiy n GLU 51 Cb 0.52 -2.20 0.00 0.00 0.27 0.00 0.00 31.44 30.03 3kiy n GLU 51 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 3kiy n VAL 52 N -1.27 0.00 -4.64 6.31 3.14 -0.85 -4.91 118.33 116.11 3kiy n VAL 52 Ca 0.12 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 3kiy n VAL 52 Cb 0.45 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.23 3kiy n VAL 52 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 3kiy n LYS 53 N -0.24 0.00 0.00 1.45 3.00 -1.26 -2.64 118.16 118.47 3kiy n LYS 53 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.36 3kiy n LYS 53 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 35.03 35.33 3kiy n LYS 53 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84