#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cre s LYS 2 N 0.00 2.99 0.33 3.23 1.02 25.54 -1.65 119.74 151.20 1cre s LYS 2 Ca 0.00 -1.53 0.03 0.00 0.02 0.00 0.00 55.97 54.49 1cre s LYS 2 Cb 0.00 -4.23 0.03 0.00 -0.52 0.00 0.00 37.83 33.11 1cre s LYS 2 CO 0.00 -1.22 0.27 0.00 -0.92 0.00 0.00 175.35 173.48 1cre s ASN 4 N -2.93 1.59 -0.30 0.00 4.22 -1.26 0.82 114.94 117.08 1cre s ASN 4 Ca 0.21 -0.56 -0.13 0.00 -2.14 0.00 0.00 52.86 50.23 1cre s ASN 4 Cb -0.02 -0.06 -0.03 0.00 1.28 0.00 0.00 41.25 42.42 1cre s ASN 4 CO 0.13 -0.06 0.28 -0.75 -2.04 0.00 0.00 177.10 174.66 1cre s LYS 5 N -1.56 3.81 4.62 3.55 2.20 -0.90 -3.94 119.74 127.53 1cre s LYS 5 Ca -0.02 -0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.29 1cre s LYS 5 Cb -0.09 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 1cre s LYS 5 CO 0.02 -0.32 0.00 1.28 -0.36 0.00 0.00 175.35 175.97 1cre n LEU 6 N 5.20 0.00 0.01 5.43 4.77 -1.26 -1.10 117.00 130.05 1cre n LEU 6 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1cre n LEU 6 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1cre n LEU 6 CO 0.36 0.00 -0.30 1.33 -1.33 0.00 0.00 177.39 177.45 1cre n VAL 7 N 0.00 0.12 1.33 4.08 0.24 -1.26 -4.41 118.33 118.42 1cre n VAL 7 Ca 0.00 0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1cre n VAL 7 Cb 0.00 -1.20 0.00 0.00 -1.47 0.00 0.00 33.84 31.17 1cre n VAL 7 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1cre n PRO 8 N -2.94 0.93 0.00 7.34 -0.04 -1.26 -3.68 135.00 135.35 1cre n PRO 8 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1cre n PRO 8 Cb 0.30 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1cre n PRO 8 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1cre n LEU 9 N -0.19 0.82 -1.47 1.53 7.94 -1.25 -5.15 117.00 119.23 1cre n LEU 9 Ca 0.00 0.00 0.20 0.00 -1.11 0.00 0.00 56.01 55.10 1cre n LEU 9 Cb 0.13 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.03 1cre n LEU 9 CO 0.00 0.13 -0.31 0.49 -1.11 0.00 0.00 177.39 176.58 1cre n PHE 10 N -1.80 -3.70 0.00 1.96 3.01 -0.26 -4.72 117.46 111.96 1cre n PHE 10 Ca 0.00 1.86 0.00 0.00 1.01 0.00 0.00 57.45 60.32 1cre n PHE 10 Cb 0.14 -3.36 0.00 0.00 -0.01 0.00 0.00 39.48 36.25 1cre n PHE 10 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 1cre n TYR 11 N -4.30 0.00 0.00 1.38 9.36 -1.21 -2.12 117.16 120.28 1cre n TYR 11 Ca -0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1cre n TYR 11 Cb 0.67 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.38 1cre n TYR 11 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1cre n LYS 12 N 0.00 0.00 -4.45 2.98 5.02 0.24 -4.91 118.16 117.05 1cre n LYS 12 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 1cre n LYS 12 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.84 1cre n LYS 12 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1cre s THR 13 N 0.00 1.76 -0.54 -0.18 2.01 -1.26 0.78 115.64 118.21 1cre s THR 13 Ca 0.00 -0.79 0.07 0.00 0.31 0.00 0.00 61.69 61.28 1cre s THR 13 Cb 0.00 -1.59 0.31 0.00 0.01 0.00 0.00 72.50 71.23 1cre s THR 13 CO 0.00 0.49 0.82 0.00 -0.69 0.00 0.00 174.62 175.24 1cre s PRO 15 N -2.84 4.08 0.00 0.00 0.04 -1.26 -4.54 135.00 130.48 1cre s PRO 15 Ca 0.44 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1cre s PRO 15 Cb 0.25 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1cre s PRO 15 CO -0.09 -0.17 0.00 0.00 0.04 0.00 0.00 177.00 176.78 1cre n ALA 16 N -0.80 -1.28 0.00 8.56 0.00 -1.26 -4.79 120.51 120.94 1cre n ALA 16 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1cre n ALA 16 Cb 0.54 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1cre n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cre n GLY 17 N 0.47 1.32 1.99 0.00 0.00 -1.26 -4.85 105.19 102.86 1cre n GLY 17 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1cre n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cre n LYS 18 N 0.00 0.80 0.00 1.61 4.01 -1.26 -4.88 118.16 118.44 1cre n LYS 18 Ca 0.00 -1.60 0.00 0.00 -0.51 0.00 0.00 58.31 56.20 1cre n LYS 18 Cb 0.00 -0.12 0.00 0.00 -0.51 0.00 0.00 35.03 34.40 1cre n LYS 18 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1cre n ASN 19 N -2.65 0.00 -3.97 4.39 5.15 -1.14 -4.95 115.26 112.09 1cre n ASN 19 Ca 0.08 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.84 1cre n ASN 19 Cb 0.31 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.47 1cre n ASN 19 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1cre s LEU 20 N -0.31 1.84 0.30 1.20 1.02 -0.67 -4.99 118.68 117.08 1cre s LEU 20 Ca 0.00 -1.63 0.06 0.00 0.02 0.00 0.00 54.13 52.58 1cre s LEU 20 Cb 0.00 0.10 -0.02 0.00 0.02 0.00 0.00 46.19 46.29 1cre s LEU 20 CO 0.00 -0.92 0.40 0.00 0.02 0.00 0.00 176.35 175.85 1cre s TYR 22 N -2.13 -1.09 -0.05 0.00 5.04 0.19 -1.35 117.35 117.96 1cre s TYR 22 Ca 0.41 2.01 0.02 0.00 -2.44 0.00 0.00 57.07 57.07 1cre s TYR 22 Cb -0.09 0.61 -0.03 0.00 0.35 0.00 0.00 41.96 42.80 1cre s TYR 22 CO 0.30 -0.56 -0.08 0.15 -1.34 0.00 0.00 175.55 174.01 1cre s LYS 23 N 2.38 2.65 -0.06 4.97 1.02 0.60 -0.99 119.74 130.33 1cre s LYS 23 Ca -0.06 -0.62 -0.00 0.00 0.02 0.00 0.00 55.97 55.31 1cre s LYS 23 Cb -0.10 -2.53 0.03 0.00 -0.52 0.00 0.00 37.83 34.71 1cre s LYS 23 CO -0.17 0.64 -0.01 1.41 -0.92 0.00 0.00 175.35 176.30 1cre s MET 24 N -0.94 0.65 0.00 1.68 -2.45 0.34 0.43 119.30 119.01 1cre s MET 24 Ca 0.13 0.03 0.00 0.00 -1.25 0.00 0.00 55.69 54.60 1cre s MET 24 Cb -0.11 -0.87 0.00 0.00 1.25 0.00 0.00 34.83 35.10 1cre s MET 24 CO 0.03 -0.21 0.00 1.97 1.05 0.00 0.00 175.02 177.86 1cre n PHE 25 N 4.64 -0.59 -4.08 4.11 -1.74 -0.95 -1.15 117.46 117.70 1cre n PHE 25 Ca -0.16 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.60 1cre n PHE 25 Cb 0.50 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.46 1cre n PHE 25 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1cre s MET 26 N -0.83 1.80 0.45 3.97 0.23 -1.25 -0.58 119.30 123.09 1cre s MET 26 Ca 0.00 -1.66 -0.24 0.00 -1.03 0.00 0.00 55.69 52.76 1cre s MET 26 Cb 0.00 0.44 -0.07 0.00 -1.53 0.00 0.00 34.83 33.66 1cre s MET 26 CO 0.00 -0.74 1.23 0.14 -2.03 0.00 0.00 175.02 173.62 1cre s VAL 27 N -3.30 2.85 0.44 5.16 -7.23 -1.21 -4.50 120.40 112.60 1cre s VAL 27 Ca 0.30 0.67 0.00 0.00 -1.81 0.00 0.00 61.98 61.14 1cre s VAL 27 Cb 0.00 -3.36 0.00 0.00 0.56 0.00 0.00 36.38 33.58 1cre s VAL 27 CO 0.18 0.03 0.00 -0.24 -0.31 0.00 0.00 175.10 174.76 1cre n SER 28 N -0.34 -3.72 0.06 4.85 2.88 -1.26 -5.03 113.62 111.06 1cre n SER 28 Ca 0.06 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 1cre n SER 28 Cb 0.46 3.49 0.00 0.00 -0.75 0.00 0.00 64.21 67.41 1cre n SER 28 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1cre n ASN 29 N -3.41 0.74 -3.01 -3.46 4.13 -1.26 -4.98 115.26 104.01 1cre n ASN 29 Ca 0.00 0.18 -0.15 0.00 1.68 0.00 0.00 54.58 56.29 1cre n ASN 29 Cb 0.00 -0.17 0.01 0.00 -1.54 0.00 0.00 39.78 38.09 1cre n ASN 29 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1cre n LEU 30 N -3.35 -0.25 -3.21 3.41 4.32 -1.26 -4.99 117.00 111.66 1cre n LEU 30 Ca 0.00 -4.51 -0.09 0.00 -0.02 0.00 0.00 56.01 51.39 1cre n LEU 30 Cb 0.00 0.77 0.00 0.00 -1.62 0.00 0.00 43.42 42.58 1cre n LEU 30 CO 0.00 2.19 0.14 0.41 -1.22 0.00 0.00 177.39 178.91 1cre n THR 31 N 0.28 -8.47 -4.75 -5.08 -1.04 -1.26 -4.97 114.28 88.98 1cre n THR 31 Ca 0.18 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.86 1cre n THR 31 Cb 0.68 -5.93 -0.12 0.00 -1.82 0.00 0.00 70.33 63.14 1cre n THR 31 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1cre s VAL 32 N -2.85 3.38 0.17 12.58 1.01 -1.26 -5.08 120.40 128.35 1cre s VAL 32 Ca 0.06 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 1cre s VAL 32 Cb -0.01 -2.36 -0.07 0.00 0.00 0.00 0.00 36.38 33.93 1cre s VAL 32 CO 0.79 0.59 1.07 -2.16 0.00 0.00 0.00 175.10 175.39 1cre s PRO 33 N -0.70 4.62 0.00 2.72 0.04 -1.26 -4.47 135.00 135.95 1cre s PRO 33 Ca 0.11 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1cre s PRO 33 Cb -0.11 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1cre s PRO 33 CO 0.01 0.12 0.00 0.28 0.04 0.00 0.00 177.00 177.45 1cre n VAL 34 N 2.40 0.00 -4.58 -0.36 0.31 -1.26 -4.96 118.33 109.89 1cre n VAL 34 Ca 0.02 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.14 1cre n VAL 34 Cb 0.47 -0.41 -0.15 0.00 -0.91 0.00 0.00 33.84 32.84 1cre n VAL 34 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1cre s LYS 35 N -1.71 1.09 0.34 5.55 2.20 -0.30 -4.56 119.74 122.35 1cre s LYS 35 Ca 0.00 -0.55 0.02 0.00 -0.36 0.00 0.00 55.97 55.08 1cre s LYS 35 Cb 0.00 -1.06 -0.01 0.00 -1.51 0.00 0.00 37.83 35.25 1cre s LYS 35 CO 0.00 0.29 0.40 1.03 -0.36 0.00 0.00 175.35 176.70 1cre s ARG 36 N -0.50 1.87 0.00 4.03 0.52 -1.25 0.12 118.95 123.74 1cre s ARG 36 Ca 0.05 -1.89 0.00 0.00 -0.52 0.00 0.00 55.73 53.36 1cre s ARG 36 Cb -0.06 0.39 0.00 0.00 0.52 0.00 0.00 34.95 35.81 1cre s ARG 36 CO -0.00 -0.74 0.00 0.41 0.02 0.00 0.00 175.30 174.99 1cre n GLY 37 N -0.60 3.40 3.63 -3.53 0.00 -0.16 -4.36 105.19 103.57 1cre n GLY 37 Ca 0.04 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 1cre n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cre n ILE 39 N 4.65 0.00 -0.51 0.00 3.06 -0.36 -4.81 119.36 121.38 1cre n ILE 39 Ca -0.14 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.11 1cre n ILE 39 Cb 0.52 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.70 1cre n ILE 39 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1cre n ASP 40 N -1.02 0.64 -3.75 9.51 2.03 -1.26 -1.66 116.55 121.03 1cre n ASP 40 Ca 0.00 -1.15 -0.28 0.00 0.52 0.00 0.00 54.79 53.88 1cre n ASP 40 Cb 0.00 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.24 1cre n ASP 40 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1cre s VAL 41 N -0.15 0.60 -0.22 5.18 1.01 -1.26 -4.98 120.40 120.58 1cre s VAL 41 Ca 0.00 -0.59 0.19 0.00 0.00 0.00 0.00 61.98 61.58 1cre s VAL 41 Cb 0.00 -1.08 0.48 0.00 0.00 0.00 0.00 36.38 35.78 1cre s VAL 41 CO 0.00 -0.18 1.15 0.00 0.00 0.00 0.00 175.10 176.07 1cre s PRO 43 N -3.04 3.61 0.27 0.00 0.04 -1.26 -4.62 135.00 130.01 1cre s PRO 43 Ca 0.35 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1cre s PRO 43 Cb 0.36 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1cre s PRO 43 CO -0.05 -0.43 0.00 1.63 0.04 0.00 0.00 177.00 178.20 1cre n LYS 44 N -2.48 -1.58 0.00 4.56 4.01 -1.26 -5.00 118.16 116.41 1cre n LYS 44 Ca 0.04 1.24 0.00 0.00 -0.51 0.00 0.00 58.31 59.09 1cre n LYS 44 Cb 0.54 -1.86 0.00 0.00 -0.51 0.00 0.00 35.03 33.21 1cre n LYS 44 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1cre n ASN 45 N -3.24 0.66 0.00 4.39 0.23 -1.26 -4.42 115.26 111.61 1cre n ASN 45 Ca -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.02 1cre n ASN 45 Cb 0.33 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 1cre n ASN 45 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1cre n SER 46 N 0.00 0.00 0.00 0.53 2.88 -1.26 -4.87 113.62 110.90 1cre n SER 46 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1cre n SER 46 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1cre n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cre n ALA 47 N 0.00 0.30 -0.08 -1.46 0.00 -1.26 -4.92 120.51 113.10 1cre n ALA 47 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1cre n ALA 47 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1cre n ALA 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cre n LEU 48 N -0.19 1.27 -4.12 0.00 4.77 -1.26 -4.81 117.00 112.65 1cre n LEU 48 Ca 0.00 0.22 -0.36 0.00 -0.03 0.00 0.00 56.01 55.83 1cre n LEU 48 Cb 0.00 -0.51 -0.12 0.00 -2.33 0.00 0.00 43.42 40.46 1cre n LEU 48 CO 0.00 0.21 -0.17 0.68 -1.33 0.00 0.00 177.39 176.78 1cre s VAL 49 N -2.35 3.27 0.03 4.08 -7.23 -1.26 -3.35 120.40 113.59 1cre s VAL 49 Ca -0.23 -2.06 -0.08 0.00 -1.81 0.00 0.00 61.98 57.81 1cre s VAL 49 Cb 0.08 -3.25 -0.05 0.00 0.56 0.00 0.00 36.38 33.72 1cre s VAL 49 CO 0.29 -0.69 0.31 -1.59 -0.31 0.00 0.00 175.10 173.11 1cre s LYS 50 N 1.14 3.64 -0.15 4.82 -2.85 0.25 -4.16 119.74 122.43 1cre s LYS 50 Ca 0.08 0.01 -0.02 0.00 -1.00 0.00 0.00 55.97 55.05 1cre s LYS 50 Cb -0.23 -3.05 -0.02 0.00 -2.06 0.00 0.00 37.83 32.47 1cre s LYS 50 CO -0.04 0.62 -0.09 0.71 0.10 0.00 0.00 175.35 176.64 1cre s TYR 51 N -1.33 2.89 0.17 1.78 2.02 -1.26 -2.25 117.35 119.37 1cre s TYR 51 Ca 0.29 -0.59 0.08 0.00 -0.37 0.00 0.00 57.07 56.48 1cre s TYR 51 Cb -0.13 -1.91 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 1cre s TYR 51 CO 0.17 -0.21 -0.07 0.08 -1.57 0.00 0.00 175.55 173.95 1cre s VAL 52 N 0.50 3.33 -0.16 0.71 1.01 0.17 -4.82 120.40 121.14 1cre s VAL 52 Ca -0.07 -1.58 -0.00 0.00 0.00 0.00 0.00 61.98 60.33 1cre s VAL 52 Cb -0.15 -2.65 0.04 0.00 0.00 0.00 0.00 36.38 33.62 1cre s VAL 52 CO 0.04 -0.10 -0.07 0.00 0.00 0.00 0.00 175.10 174.97 1cre n ASN 55 N -1.80 -1.51 -3.15 0.00 2.85 -1.25 -0.39 115.26 110.02 1cre n ASN 55 Ca -0.00 -2.27 0.02 0.00 -0.11 0.00 0.00 54.58 52.23 1cre n ASN 55 Cb 0.58 0.74 -0.00 0.00 1.24 0.00 0.00 39.78 42.33 1cre n ASN 55 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1cre s THR 56 N 0.08 -0.88 0.00 -0.44 2.01 -1.25 -5.02 115.64 110.14 1cre s THR 56 Ca 0.12 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.12 1cre s THR 56 Cb 0.44 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 72.58 1cre s THR 56 CO -0.12 0.00 0.00 0.47 -0.69 0.00 0.00 174.62 174.28 1cre n ASP 57 N 4.76 0.00 0.00 3.53 8.00 -1.26 -4.03 116.55 127.55 1cre n ASP 57 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1cre n ASP 57 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 1cre n ASP 57 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1cre n ARG 58 N 13.62 0.00 -3.10 -1.24 0.63 -1.26 -0.79 116.66 124.52 1cre n ARG 58 Ca 0.00 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.73 1cre n ARG 58 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 1cre n ARG 58 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12