#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc4 n LYS 4 N 0.00 2.01 -1.42 6.28 5.02 -1.26 -4.85 118.16 123.94 3kc4 n LYS 4 Ca 0.00 -1.39 -0.36 0.00 -2.02 0.00 0.00 58.31 54.54 3kc4 n LYS 4 Cb 0.00 -1.37 0.09 0.00 -0.02 0.00 0.00 35.03 33.73 3kc4 n LYS 4 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3kc4 n VAL 5 N 0.57 3.27 -2.56 -0.18 0.24 -1.26 -5.02 118.33 113.39 3kc4 n VAL 5 Ca 0.13 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 3kc4 n VAL 5 Cb 0.37 -1.21 0.00 0.00 -1.47 0.00 0.00 33.84 31.53 3kc4 n VAL 5 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 3kc4 n ARG 6 N -2.04 1.12 -3.68 7.34 1.85 -1.26 -5.05 116.66 114.93 3kc4 n ARG 6 Ca 0.14 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.61 3kc4 n ARG 6 Cb 0.49 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.78 3kc4 n ARG 6 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3kc4 s GLU 7 N -1.47 3.39 0.18 2.89 2.02 -1.26 -4.92 118.70 119.53 3kc4 s GLU 7 Ca 0.00 -0.67 -0.13 0.00 0.02 0.00 0.00 54.97 54.18 3kc4 s GLU 7 Cb 0.00 -3.50 0.12 0.00 0.10 0.00 0.00 34.13 30.85 3kc4 s GLU 7 CO 0.00 -0.37 1.80 -0.91 0.02 0.00 0.00 175.26 175.80 3kc4 h ASN 8 N 8.32 0.42 -2.95 -0.19 2.35 -1.97 -2.89 115.58 118.67 3kc4 h ASN 8 Ca -0.33 0.02 -0.61 0.00 -0.55 0.00 0.00 56.30 54.82 3kc4 h ASN 8 Cb 1.15 -0.06 -0.11 0.00 0.05 0.00 0.00 38.32 39.34 3kc4 h ASN 8 CO 0.60 0.29 -0.66 -1.83 -1.65 0.00 0.00 177.43 174.18 3kc4 s GLU 9 N -6.14 2.40 0.73 0.81 -1.05 -1.26 -5.13 118.70 109.07 3kc4 s GLU 9 Ca -0.13 -1.08 -0.16 0.00 -0.15 0.00 0.00 54.97 53.45 3kc4 s GLU 9 Cb 0.13 -2.37 -0.03 0.00 -0.44 0.00 0.00 34.13 31.42 3kc4 s GLU 9 CO 0.74 0.47 0.59 -0.35 0.95 0.00 0.00 175.26 177.65 3kc4 n PRO 10 N -0.02 0.30 -3.38 -4.83 -0.04 -1.09 -4.68 135.00 121.27 3kc4 n PRO 10 Ca -0.10 0.14 -0.12 0.00 -0.04 0.00 0.00 63.50 63.38 3kc4 n PRO 10 Cb 0.55 -1.89 -0.05 0.00 -0.04 0.00 0.00 33.50 32.07 3kc4 n PRO 10 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3kc4 n PHE 11 N -2.47 -0.42 -0.03 0.54 3.01 -1.26 -4.84 117.46 111.99 3kc4 n PHE 11 Ca 0.10 -1.70 0.06 0.00 1.01 0.00 0.00 57.45 56.92 3kc4 n PHE 11 Cb 0.50 0.16 -0.16 0.00 -0.01 0.00 0.00 39.48 39.97 3kc4 n PHE 11 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3kc4 n ASP 12 N -2.14 0.32 -0.37 4.37 8.00 -1.26 -2.39 116.55 123.08 3kc4 n ASP 12 Ca 0.04 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.58 3kc4 n ASP 12 Cb 0.37 1.70 0.05 0.00 -0.02 0.00 0.00 41.12 43.22 3kc4 n ASP 12 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3kc4 n VAL 13 N -2.33 0.12 0.00 2.53 0.24 -1.26 -5.08 118.33 112.56 3kc4 n VAL 13 Ca -0.10 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 3kc4 n VAL 13 Cb 0.67 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 34.14 3kc4 n VAL 13 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kc4 n ALA 14 N 0.46 -0.10 -2.00 2.33 0.00 -1.01 -4.90 120.51 115.30 3kc4 n ALA 14 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.08 3kc4 n ALA 14 Cb 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 3kc4 n ALA 14 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3kc4 s LEU 15 N -1.58 4.38 0.00 0.00 2.96 -1.26 -4.64 118.68 118.54 3kc4 s LEU 15 Ca 0.00 2.51 0.00 0.00 -0.22 0.00 0.00 54.13 56.42 3kc4 s LEU 15 Cb 0.00 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.09 3kc4 s LEU 15 CO 0.00 -0.68 0.00 0.54 -1.32 0.00 0.00 176.35 174.89 3kc4 n ARG 16 N 3.23 1.97 -0.28 1.98 1.74 -1.26 -4.76 116.66 119.28 3kc4 n ARG 16 Ca 0.10 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.16 3kc4 n ARG 16 Cb 0.41 -0.23 0.17 0.00 -1.02 0.00 0.00 32.46 31.80 3kc4 n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kc4 h ARG 17 N 0.00 1.13 0.73 5.56 -0.00 -1.97 -0.59 114.38 119.23 3kc4 h ARG 17 Ca 0.00 -0.09 -0.04 0.00 -0.50 0.00 0.00 59.98 59.35 3kc4 h ARG 17 Cb 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 29.97 29.73 3kc4 h ARG 17 CO 0.00 0.78 -0.35 0.35 0.00 0.00 0.00 179.97 180.74 3kc4 h PHE 18 N 1.15 -0.91 0.00 3.04 -0.00 -1.97 -3.13 116.94 115.12 3kc4 h PHE 18 Ca 0.30 -0.02 0.00 0.00 -0.00 0.00 0.00 57.97 58.25 3kc4 h PHE 18 Cb -0.07 0.30 0.00 0.00 -0.00 0.00 0.00 35.95 36.18 3kc4 h PHE 18 CO 0.00 -0.57 0.12 0.87 -0.00 0.00 0.00 178.31 178.74 3kc4 h LYS 19 N -0.98 0.00 -0.91 1.11 1.57 -1.63 -2.19 116.57 113.54 3kc4 h LYS 19 Ca -0.10 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.51 3kc4 h LYS 19 Cb 0.75 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.96 3kc4 h LYS 19 CO 0.16 0.00 0.21 0.54 -0.57 0.00 0.00 179.45 179.79 3kc4 n ARG 20 N -2.46 2.28 0.00 3.15 1.74 -0.31 -2.11 116.66 118.95 3kc4 n ARG 20 Ca -0.02 -1.67 0.00 0.00 -0.77 0.00 0.00 57.85 55.39 3kc4 n ARG 20 Cb 0.16 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 3kc4 n ARG 20 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3kc4 n SER 21 N -0.09 0.00 0.00 0.55 7.64 -0.83 -4.92 113.62 115.97 3kc4 n SER 21 Ca 0.25 -0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.91 3kc4 n SER 21 Cb 0.99 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 3kc4 n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kc4 s GLU 23 N -0.64 3.75 -0.04 0.00 2.02 -0.90 -4.21 118.70 118.69 3kc4 s GLU 23 Ca 0.00 0.15 -0.17 0.00 0.02 0.00 0.00 54.97 54.96 3kc4 s GLU 23 Cb 0.00 -2.87 0.03 0.00 0.10 0.00 0.00 34.13 31.39 3kc4 s GLU 23 CO 0.00 0.47 0.38 0.21 0.02 0.00 0.00 175.26 176.35 3kc4 s LYS 24 N -2.32 0.71 0.00 1.61 2.20 -1.26 -4.74 119.74 115.94 3kc4 s LYS 24 Ca 0.39 -0.03 0.20 0.00 -0.36 0.00 0.00 55.97 56.17 3kc4 s LYS 24 Cb -0.13 0.32 0.56 0.00 -1.51 0.00 0.00 37.83 37.07 3kc4 s LYS 24 CO 0.21 -0.19 1.47 0.00 -0.36 0.00 0.00 175.35 176.47 3kc4 n ALA 25 N 1.40 2.40 0.00 3.13 0.00 -1.26 -3.69 120.51 122.49 3kc4 n ALA 25 Ca -0.20 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.15 3kc4 n ALA 25 Cb 0.56 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3kc4 n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc4 n GLY 26 N 1.51 2.49 0.19 0.00 0.00 -1.26 -4.52 105.19 103.59 3kc4 n GLY 26 Ca 0.21 -1.81 0.04 0.00 0.00 0.00 0.00 46.02 44.47 3kc4 n GLY 26 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kc4 n VAL 27 N 1.25 0.00 0.22 1.61 0.24 -1.26 -3.74 118.33 116.64 3kc4 n VAL 27 Ca 0.00 -0.40 0.12 0.00 -2.04 0.00 0.00 64.34 62.02 3kc4 n VAL 27 Cb 0.00 1.10 0.24 0.00 -1.47 0.00 0.00 33.84 33.71 3kc4 n VAL 27 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3kc4 h LEU 28 N 0.91 0.00 -3.54 1.34 3.38 -1.99 -2.19 115.31 113.23 3kc4 h LEU 28 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 3kc4 h LEU 28 Cb 0.29 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.85 3kc4 h LEU 28 CO 0.00 0.05 0.53 0.00 0.09 0.00 0.00 178.44 179.11 3kc4 n ALA 29 N -2.11 5.21 -1.85 1.53 0.00 -1.25 -3.34 120.51 118.70 3kc4 n ALA 29 Ca 0.03 -2.15 0.00 0.00 0.00 0.00 0.00 53.44 51.32 3kc4 n ALA 29 Cb 0.51 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3kc4 n ALA 29 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kc4 n GLU 30 N -0.25 0.00 -2.79 0.00 1.02 -0.83 -4.83 120.64 112.96 3kc4 n GLU 30 Ca 0.41 -0.41 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 3kc4 n GLU 30 Cb 0.83 -0.24 -0.07 0.00 -0.02 0.00 0.00 31.44 31.94 3kc4 n GLU 30 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3kc4 s VAL 31 N 0.00 4.25 0.00 2.62 -7.23 -1.20 -4.85 120.40 113.98 3kc4 s VAL 31 Ca 0.00 1.76 0.00 0.00 -1.81 0.00 0.00 61.98 61.93 3kc4 s VAL 31 Cb 0.00 -3.93 0.00 0.00 0.56 0.00 0.00 36.38 33.01 3kc4 s VAL 31 CO 0.00 0.05 0.00 -2.11 -0.31 0.00 0.00 175.10 172.73 3kc4 n ARG 32 N 0.31 0.00 -4.13 4.82 1.85 -1.26 -5.09 116.66 113.16 3kc4 n ARG 32 Ca 0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.76 3kc4 n ARG 32 Cb 0.51 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.84 3kc4 n ARG 32 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3kc4 s ARG 33 N 0.00 1.43 0.00 2.89 1.81 -1.26 -5.15 118.95 118.67 3kc4 s ARG 33 Ca 0.00 -1.56 0.00 0.00 -1.72 0.00 0.00 55.73 52.45 3kc4 s ARG 33 Cb 0.00 0.35 0.00 0.00 -0.45 0.00 0.00 34.95 34.85 3kc4 s ARG 33 CO 0.00 -0.53 0.00 2.89 -0.68 0.00 0.00 175.30 176.98 3kc4 n ARG 34 N -0.36 3.22 -4.12 3.54 1.85 -1.26 -5.12 116.66 114.41 3kc4 n ARG 34 Ca 0.01 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.74 3kc4 n ARG 34 Cb 0.64 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.94 3kc4 n ARG 34 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3kc4 s GLU 35 N 0.00 0.70 -0.01 2.89 8.01 -1.26 -5.14 118.70 123.89 3kc4 s GLU 35 Ca 0.00 -1.05 -0.01 0.00 0.01 0.00 0.00 54.97 53.92 3kc4 s GLU 35 Cb 0.00 -0.29 0.00 0.00 -4.31 0.00 0.00 34.13 29.53 3kc4 s GLU 35 CO 0.00 0.03 0.03 -0.06 0.01 0.00 0.00 175.26 175.26 3kc4 s PHE 36 N -2.44 -0.02 0.00 1.61 0.40 -1.26 -4.94 117.98 111.33 3kc4 s PHE 36 Ca 0.01 0.05 0.00 0.00 -0.60 0.00 0.00 56.93 56.39 3kc4 s PHE 36 Cb -0.03 0.00 0.00 0.00 0.51 0.00 0.00 43.02 43.50 3kc4 s PHE 36 CO -0.02 -0.03 0.00 0.66 0.70 0.00 0.00 175.22 176.54 3kc4 n TYR 37 N 2.98 0.00 0.19 0.36 4.02 -1.26 -4.59 117.16 118.86 3kc4 n TYR 37 Ca -0.13 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.78 3kc4 n TYR 37 Cb 0.60 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.91 3kc4 n TYR 37 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3kc4 n GLU 38 N 0.00 3.38 0.00 -0.72 1.02 -1.26 -4.67 120.64 118.39 3kc4 n GLU 38 Ca 0.00 -0.29 0.00 0.00 -0.02 0.00 0.00 57.16 56.85 3kc4 n GLU 38 Cb 0.01 -0.84 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 3kc4 n GLU 38 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kc4 n LYS 39 N -0.58 0.00 0.04 3.49 5.02 -1.26 -4.73 118.16 120.14 3kc4 n LYS 39 Ca 0.01 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.27 3kc4 n LYS 39 Cb 0.08 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.01 3kc4 n LYS 39 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3kc4 h PRO 40 N 0.00 0.00 -0.44 1.97 0.13 -1.92 -0.97 132.00 130.77 3kc4 h PRO 40 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 3kc4 h PRO 40 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 3kc4 h PRO 40 CO 0.00 0.51 0.16 1.79 -0.23 0.00 0.00 178.00 180.22 3kc4 h THR 41 N 0.00 1.21 -0.10 1.56 1.35 -1.91 -2.02 112.91 113.01 3kc4 h THR 41 Ca -0.14 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 3kc4 h THR 41 Cb 1.70 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 3kc4 h THR 41 CO 0.07 0.25 0.00 0.35 -0.25 0.00 0.00 175.52 175.94 3kc4 n THR 42 N -4.58 0.12 0.00 6.82 -2.24 -0.43 -4.28 114.28 109.69 3kc4 n THR 42 Ca 0.01 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3kc4 n THR 42 Cb 0.17 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 3kc4 n THR 42 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kc4 n GLU 43 N 0.07 0.00 -0.25 -0.78 1.02 -0.86 -4.95 120.64 114.89 3kc4 n GLU 43 Ca 0.17 0.00 0.32 0.00 -0.02 0.00 0.00 57.16 57.63 3kc4 n GLU 43 Cb 0.29 0.00 0.74 0.00 -0.02 0.00 0.00 31.44 32.45 3kc4 n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kc4 h ARG 44 N 0.00 0.00 -0.51 3.49 -0.00 -1.57 -2.12 114.38 113.67 3kc4 h ARG 44 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 3kc4 h ARG 44 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 3kc4 h ARG 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.97 181.60 3kc4 n LYS 45 N -4.22 2.15 -0.01 0.04 5.02 -1.11 -1.45 118.16 118.57 3kc4 n LYS 45 Ca 0.22 -1.28 0.05 0.00 -2.02 0.00 0.00 58.31 55.28 3kc4 n LYS 45 Cb 1.11 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 34.53 3kc4 n LYS 45 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3kc4 n ARG 46 N 0.40 0.56 0.19 1.97 3.00 -0.80 -4.62 116.66 117.36 3kc4 n ARG 46 Ca 0.12 -0.11 0.03 0.00 -0.00 0.00 0.00 57.85 57.88 3kc4 n ARG 46 Cb 0.43 -1.32 0.38 0.00 0.00 0.00 0.00 32.46 31.95 3kc4 n ARG 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kc4 h ALA 47 N 1.16 1.44 -0.56 5.13 0.00 -1.24 -0.19 119.26 125.00 3kc4 h ALA 47 Ca -0.03 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 3kc4 h ALA 47 Cb 0.72 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3kc4 h ALA 47 CO 0.00 0.43 0.17 1.57 0.00 0.00 0.00 179.25 181.42 3kc4 h LYS 48 N 0.01 0.87 -1.38 0.00 2.10 -1.70 -2.95 116.57 113.51 3kc4 h LYS 48 Ca -0.00 -0.19 -0.40 0.00 -2.00 0.00 0.00 60.65 58.06 3kc4 h LYS 48 Cb 0.60 -0.12 -0.17 0.00 -0.90 0.00 0.00 32.23 31.63 3kc4 h LYS 48 CO 0.04 0.79 0.52 0.00 -2.00 0.00 0.00 179.45 178.80 3kc4 n ALA 49 N -2.38 5.34 -3.35 0.07 0.00 -0.11 -4.78 120.51 115.29 3kc4 n ALA 49 Ca 0.03 -2.05 -0.15 0.00 0.00 0.00 0.00 53.44 51.27 3kc4 n ALA 49 Cb 0.20 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.14 3kc4 n ALA 49 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3kc4 s SER 50 N -0.28 -0.47 -0.99 0.00 0.01 -1.03 -4.99 113.70 105.96 3kc4 s SER 50 Ca 0.38 0.29 -0.03 0.00 1.31 0.00 0.00 55.95 57.91 3kc4 s SER 50 Cb 0.30 0.49 -0.03 0.00 0.21 0.00 0.00 66.02 66.99 3kc4 s SER 50 CO -0.00 -0.67 0.84 0.00 0.41 0.00 0.00 173.24 173.82 3kc4 n ALA 51 N 0.60 -2.01 -1.76 1.44 0.00 -1.26 -4.87 120.51 112.65 3kc4 n ALA 51 Ca -0.19 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3kc4 n ALA 51 Cb 0.59 -3.67 0.00 0.00 0.00 0.00 0.00 19.45 16.37 3kc4 n ALA 51 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3kc4 n VAL 52 N -3.39 0.00 1.23 0.00 0.24 -1.26 -5.09 118.33 110.06 3kc4 n VAL 52 Ca -0.16 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.24 3kc4 n VAL 52 Cb 0.63 0.31 0.58 0.00 -1.47 0.00 0.00 33.84 33.89 3kc4 n VAL 52 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98