#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr4 s SER 2 N 0.00 6.88 -1.24 1.61 0.01 -1.26 -4.91 113.70 114.79 1wr4 s SER 2 Ca 0.00 2.38 -0.11 0.00 1.31 0.00 0.00 55.95 59.54 1wr4 s SER 2 Cb 0.00 -2.60 -0.06 0.00 0.21 0.00 0.00 66.02 63.56 1wr4 s SER 2 CO 0.00 -0.56 2.41 -2.65 0.41 0.00 0.00 173.24 172.85 1wr4 n PRO 3 N 2.96 2.71 -2.68 12.44 -0.02 -1.26 -4.92 135.00 144.22 1wr4 n PRO 3 Ca 0.07 -1.95 -0.42 0.00 -2.02 0.00 0.00 63.50 59.18 1wr4 n PRO 3 Cb 0.43 -2.77 -0.03 0.00 -0.02 0.00 0.00 33.50 31.11 1wr4 n PRO 3 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1wr4 s GLY 4 N 3.15 2.61 0.56 -1.23 0.00 -1.26 -5.01 107.32 106.14 1wr4 s GLY 4 Ca 0.54 0.47 -0.20 0.00 0.00 0.00 0.00 44.72 45.53 1wr4 s GLY 4 CO -0.03 1.82 1.26 1.08 0.00 0.00 0.00 173.10 177.23 1wr4 s LEU 5 N 1.52 3.78 0.00 0.66 1.43 -1.26 -5.02 118.68 119.79 1wr4 s LEU 5 Ca 0.51 2.53 0.00 0.00 -1.03 0.00 0.00 54.13 56.13 1wr4 s LEU 5 Cb -0.20 -4.43 0.00 0.00 0.03 0.00 0.00 46.19 41.59 1wr4 s LEU 5 CO 0.23 -1.51 0.00 -2.65 0.23 0.00 0.00 176.35 172.65 1wr4 n PRO 6 N -1.24 0.57 -1.55 1.29 -0.02 -1.26 -4.68 135.00 128.11 1wr4 n PRO 6 Ca 0.12 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.36 1wr4 n PRO 6 Cb 0.48 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.88 1wr4 n PRO 6 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1wr4 n SER 7 N -0.44 1.60 -0.16 2.55 3.41 -1.26 -2.03 113.62 117.29 1wr4 n SER 7 Ca 0.00 -0.96 -0.02 0.00 -0.26 0.00 0.00 58.87 57.63 1wr4 n SER 7 Cb 0.00 -1.49 -0.01 0.00 -0.26 0.00 0.00 64.21 62.45 1wr4 n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wr4 n GLY 8 N 6.39 0.55 3.71 5.00 0.00 -1.26 -4.35 105.19 115.22 1wr4 n GLY 8 Ca 0.47 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 1wr4 n GLY 8 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wr4 s TRP 9 N -2.06 3.60 -0.02 1.61 0.52 -0.86 0.32 118.94 122.06 1wr4 s TRP 9 Ca 0.00 1.50 0.03 0.00 0.02 0.00 0.00 56.10 57.65 1wr4 s TRP 9 Cb 0.00 -3.01 0.00 0.00 -1.15 0.00 0.00 33.47 29.31 1wr4 s TRP 9 CO 0.00 -0.01 -0.09 -2.00 0.02 0.00 0.00 176.95 174.87 1wr4 s GLU 10 N 1.09 0.91 -0.31 4.98 2.12 0.18 -4.70 118.70 122.98 1wr4 s GLU 10 Ca 0.46 -0.31 -0.20 0.00 0.36 0.00 0.00 54.97 55.27 1wr4 s GLU 10 Cb -0.19 -0.86 -0.01 0.00 0.26 0.00 0.00 34.13 33.33 1wr4 s GLU 10 CO 0.23 0.13 0.63 -1.83 -0.54 0.00 0.00 175.26 173.88 1wr4 s GLU 11 N 0.10 3.89 0.27 4.30 -1.05 -1.26 0.54 118.70 125.50 1wr4 s GLU 11 Ca -0.02 0.29 0.02 0.00 -0.15 0.00 0.00 54.97 55.11 1wr4 s GLU 11 Cb -0.07 -3.73 0.02 0.00 -0.44 0.00 0.00 34.13 29.91 1wr4 s GLU 11 CO 0.00 -0.58 0.20 0.54 0.95 0.00 0.00 175.26 176.37 1wr4 n ARG 12 N 5.89 1.10 -3.82 -4.83 1.74 0.89 -4.94 116.66 112.68 1wr4 n ARG 12 Ca -0.01 -1.72 -0.16 0.00 -0.77 0.00 0.00 57.85 55.20 1wr4 n ARG 12 Cb 0.49 0.19 -0.16 0.00 -1.02 0.00 0.00 32.46 31.96 1wr4 n ARG 12 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1wr4 s LYS 13 N -3.12 0.06 -0.83 5.56 -2.85 -1.26 -2.00 119.74 115.31 1wr4 s LYS 13 Ca 0.15 0.15 -0.08 0.00 -1.00 0.00 0.00 55.97 55.20 1wr4 s LYS 13 Cb -0.01 -0.31 -0.14 0.00 -2.06 0.00 0.00 37.83 35.30 1wr4 s LYS 13 CO 0.10 -0.15 3.20 -3.47 0.10 0.00 0.00 175.35 175.12 1wr4 n ASP 14 N 4.15 7.05 0.00 0.03 2.03 0.85 -4.81 116.55 125.84 1wr4 n ASP 14 Ca -0.27 -2.62 0.00 0.00 0.52 0.00 0.00 54.79 52.42 1wr4 n ASP 14 Cb 0.50 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 1wr4 n ASP 14 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wr4 n ALA 15 N 2.80 0.00 0.37 -1.67 0.00 -1.26 -4.37 120.51 116.38 1wr4 n ALA 15 Ca 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.98 1wr4 n ALA 15 Cb 0.55 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.05 1wr4 n ALA 15 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wr4 n LYS 16 N 0.00 1.35 -0.99 0.00 4.01 -1.26 -4.75 118.16 116.52 1wr4 n LYS 16 Ca 0.00 -0.85 0.00 0.00 -0.51 0.00 0.00 58.31 56.95 1wr4 n LYS 16 Cb 0.00 -1.33 0.00 0.00 -0.51 0.00 0.00 35.03 33.19 1wr4 n LYS 16 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wr4 n GLY 17 N 0.04 0.52 3.55 0.72 0.00 -1.26 -4.95 105.19 103.80 1wr4 n GLY 17 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1wr4 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wr4 s ARG 18 N -0.25 2.87 -0.10 1.61 1.81 -1.26 -4.81 118.95 118.81 1wr4 s ARG 18 Ca 0.00 0.17 -0.30 0.00 -1.72 0.00 0.00 55.73 53.88 1wr4 s ARG 18 Cb 0.00 -4.39 -0.03 0.00 -0.45 0.00 0.00 34.95 30.08 1wr4 s ARG 18 CO 0.00 -2.53 1.35 0.99 -0.68 0.00 0.00 175.30 174.44 1wr4 s THR 19 N 7.71 4.04 0.02 0.02 2.01 -1.26 -0.11 115.64 128.07 1wr4 s THR 19 Ca 0.54 1.31 0.06 0.00 0.31 0.00 0.00 61.69 63.91 1wr4 s THR 19 Cb -0.10 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 1wr4 s THR 19 CO 0.16 -0.08 -0.18 -0.72 -0.69 0.00 0.00 174.62 173.12 1wr4 s TYR 20 N 3.22 1.55 -0.27 4.92 1.13 -0.85 -4.83 117.35 122.22 1wr4 s TYR 20 Ca 0.60 -0.33 -0.12 0.00 -1.41 0.00 0.00 57.07 55.81 1wr4 s TYR 20 Cb -0.26 -0.96 -0.05 0.00 -1.10 0.00 0.00 41.96 39.60 1wr4 s TYR 20 CO 0.21 0.02 0.25 0.71 -2.51 0.00 0.00 175.55 174.24 1wr4 s TYR 21 N -0.62 3.24 -0.25 -3.49 1.51 0.93 -0.08 117.35 118.60 1wr4 s TYR 21 Ca 0.06 0.24 -0.04 0.00 -1.01 0.00 0.00 57.07 56.32 1wr4 s TYR 21 Cb -0.08 -2.44 0.01 0.00 -0.11 0.00 0.00 41.96 39.34 1wr4 s TYR 21 CO 0.01 -0.16 -0.01 0.54 -1.11 0.00 0.00 175.55 174.81 1wr4 s VAL 22 N 1.79 3.38 -0.25 0.71 0.11 0.19 -1.45 120.40 124.87 1wr4 s VAL 22 Ca 0.10 -0.72 -0.21 0.00 -2.93 0.00 0.00 61.98 58.22 1wr4 s VAL 22 Cb -0.16 -2.65 -0.02 0.00 -1.53 0.00 0.00 36.38 32.02 1wr4 s VAL 22 CO 0.10 0.25 0.66 0.21 -3.33 0.00 0.00 175.10 172.99 1wr4 s ASN 23 N 1.43 6.61 0.32 3.54 3.84 0.16 -0.64 114.94 130.20 1wr4 s ASN 23 Ca 0.03 0.75 0.20 0.00 0.21 0.00 0.00 52.86 54.05 1wr4 s ASN 23 Cb -0.16 -2.35 0.15 0.00 -0.55 0.00 0.00 41.25 38.35 1wr4 s ASN 23 CO -0.02 -0.39 1.40 0.45 -2.79 0.00 0.00 177.10 175.75 1wr4 h HIS 24 N 7.86 0.00 0.01 0.43 3.86 -0.39 -0.41 115.15 126.52 1wr4 h HIS 24 Ca -0.26 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 58.88 1wr4 h HIS 24 Cb 1.12 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.59 1wr4 h HIS 24 CO 0.75 0.22 -0.25 -0.91 0.86 0.00 0.00 177.93 178.61 1wr4 h ASN 25 N 0.00 0.20 -0.35 2.45 4.21 -1.76 -3.31 115.58 117.01 1wr4 h ASN 25 Ca -0.02 -0.83 0.00 0.00 1.21 0.00 0.00 56.30 56.66 1wr4 h ASN 25 Cb 1.18 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 38.32 1wr4 h ASN 25 CO 0.03 1.01 0.00 -3.20 -1.29 0.00 0.00 177.43 173.97 1wr4 n ASN 26 N -4.50 2.99 -3.79 5.81 5.15 -1.26 -4.98 115.26 114.69 1wr4 n ASN 26 Ca -0.10 -1.90 -0.25 0.00 -0.60 0.00 0.00 54.58 51.72 1wr4 n ASN 26 Cb 0.53 -0.23 0.03 0.00 -0.53 0.00 0.00 39.78 39.58 1wr4 n ASN 26 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1wr4 n ARG 27 N 0.85 -5.36 -3.48 1.20 0.00 -0.26 -4.96 116.66 104.65 1wr4 n ARG 27 Ca 0.14 0.62 -0.38 0.00 -0.00 0.00 0.00 57.85 58.24 1wr4 n ARG 27 Cb 0.46 -5.36 -0.06 0.00 0.00 0.00 0.00 32.46 27.50 1wr4 n ARG 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1wr4 s THR 28 N -3.49 5.16 -0.25 5.15 2.01 -0.61 -4.89 115.64 118.71 1wr4 s THR 28 Ca 0.32 0.77 0.02 0.00 0.31 0.00 0.00 61.69 63.11 1wr4 s THR 28 Cb -0.16 -3.71 0.07 0.00 0.01 0.00 0.00 72.50 68.71 1wr4 s THR 28 CO 0.81 0.47 -0.05 0.42 -0.69 0.00 0.00 174.62 175.58 1wr4 s THR 29 N -0.26 1.76 0.08 -0.82 -4.23 -1.26 0.39 115.64 111.30 1wr4 s THR 29 Ca 0.22 -1.45 0.07 0.00 -1.18 0.00 0.00 61.69 59.35 1wr4 s THR 29 Cb -0.15 -2.01 -0.03 0.00 1.34 0.00 0.00 72.50 71.65 1wr4 s THR 29 CO 0.10 -0.15 -0.18 0.28 -0.54 0.00 0.00 174.62 174.13 1wr4 s THR 30 N 1.27 1.45 -0.25 3.99 -1.32 -0.53 -5.01 115.64 115.23 1wr4 s THR 30 Ca -0.05 -1.41 0.13 0.00 -1.21 0.00 0.00 61.69 59.15 1wr4 s THR 30 Cb -0.19 -1.34 0.74 0.00 -1.51 0.00 0.00 72.50 70.20 1wr4 s THR 30 CO -0.07 -0.11 1.70 0.79 -2.21 0.00 0.00 174.62 174.72 1wr4 n TRP 31 N 1.23 1.94 -4.45 9.09 7.02 -1.26 -0.05 117.44 130.97 1wr4 n TRP 31 Ca -0.20 -0.92 -0.24 0.00 -1.02 0.00 0.00 57.50 55.12 1wr4 n TRP 31 Cb 0.54 -0.53 -0.10 0.00 -2.42 0.00 0.00 31.31 28.80 1wr4 n TRP 31 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1wr4 s THR 32 N -2.87 2.59 -0.19 -0.99 -1.32 -1.26 -4.91 115.64 106.70 1wr4 s THR 32 Ca 0.52 -2.30 -0.29 0.00 -1.21 0.00 0.00 61.69 58.41 1wr4 s THR 32 Cb 0.41 -2.43 -0.00 0.00 -1.51 0.00 0.00 72.50 68.97 1wr4 s THR 32 CO 0.13 -0.37 1.11 -0.13 -2.21 0.00 0.00 174.62 173.15 1wr4 s ARG 33 N -3.55 4.28 -0.05 7.08 3.00 -1.26 -4.55 118.95 123.90 1wr4 s ARG 33 Ca 0.31 1.47 -0.30 0.00 0.00 0.00 0.00 55.73 57.20 1wr4 s ARG 33 Cb -0.04 -3.66 -0.06 0.00 0.00 0.00 0.00 34.95 31.19 1wr4 s ARG 33 CO 0.16 -0.60 1.66 -1.25 0.00 0.00 0.00 175.30 175.27 1wr4 s PRO 34 N 3.08 4.18 -0.43 3.54 0.04 -1.26 -4.87 135.00 139.28 1wr4 s PRO 34 Ca 0.48 2.21 0.04 0.00 0.04 0.00 0.00 61.00 63.77 1wr4 s PRO 34 Cb -0.18 -3.98 0.55 0.00 0.04 0.00 0.00 34.50 30.94 1wr4 s PRO 34 CO 0.11 -0.84 1.73 0.44 0.04 0.00 0.00 177.00 178.47 1wr4 n ILE 35 N 5.45 3.03 -1.12 0.56 -6.64 -1.26 -4.99 119.36 114.38 1wr4 n ILE 35 Ca 0.17 -2.63 0.00 0.00 -1.77 0.00 0.00 62.75 58.52 1wr4 n ILE 35 Cb 0.43 -0.63 0.00 0.00 -1.44 0.00 0.00 39.64 38.00 1wr4 n ILE 35 CO 0.00 0.00 0.00 0.80 -1.77 0.00 0.00 176.55 175.58