#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 3.96 0.69 1.61 0.01 -1.26 -5.13 113.70 113.59 1wr4 s SER 2 Ca 0.00 -1.83 -0.04 0.00 1.31 0.00 0.00 55.95 55.40 1wr4 s SER 2 Cb 0.00 -0.90 0.09 0.00 0.21 0.00 0.00 66.02 65.42 1wr4 s SER 2 CO 0.00 -0.39 0.98 -2.16 0.41 0.00 0.00 173.24 172.08 1wr4 s PRO 3 N 1.38 1.99 0.00 12.44 0.05 -1.26 -4.51 135.00 145.09 1wr4 s PRO 3 Ca 0.11 -0.65 0.00 0.00 0.05 0.00 0.00 61.00 60.51 1wr4 s PRO 3 Cb -0.19 -2.27 0.00 0.00 0.05 0.00 0.00 34.50 32.10 1wr4 s PRO 3 CO -0.20 -1.28 0.00 0.41 0.05 0.00 0.00 177.00 175.98 1wr4 n GLY 4 N -2.83 1.83 3.77 0.56 0.00 -1.26 -4.91 105.19 102.34 1wr4 n GLY 4 Ca 0.11 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 1wr4 n GLY 4 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wr4 s LEU 5 N 0.00 3.68 0.81 0.99 1.43 -1.26 -4.92 118.68 119.42 1wr4 s LEU 5 Ca 0.00 -0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 52.75 1wr4 s LEU 5 Cb 0.00 -2.29 0.05 0.00 0.03 0.00 0.00 46.19 43.98 1wr4 s LEU 5 CO 0.00 0.06 0.97 -2.65 0.23 0.00 0.00 176.35 174.96 1wr4 n PRO 6 N -0.38 0.13 -1.78 1.29 -0.02 -1.26 -4.83 135.00 128.15 1wr4 n PRO 6 Ca -0.08 0.11 -0.19 0.00 -2.02 0.00 0.00 63.50 61.31 1wr4 n PRO 6 Cb 0.55 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 1wr4 n PRO 6 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1wr4 s SER 7 N -1.99 4.44 0.00 2.55 0.01 -1.26 -1.27 113.70 116.17 1wr4 s SER 7 Ca 0.70 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1wr4 s SER 7 Cb -0.29 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.38 1wr4 s SER 7 CO 0.54 -3.38 0.00 0.61 0.41 0.00 0.00 173.24 171.42 1wr4 n GLY 8 N 6.83 0.70 3.86 3.44 0.00 -1.26 -5.04 105.19 113.72 1wr4 n GLY 8 Ca 0.44 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 3.62 -0.01 1.61 0.52 -0.40 -0.91 118.94 123.37 1wr4 s TRP 9 Ca 0.00 0.87 0.01 0.00 0.02 0.00 0.00 56.10 57.00 1wr4 s TRP 9 Cb 0.00 -2.22 0.01 0.00 -1.15 0.00 0.00 33.47 30.11 1wr4 s TRP 9 CO 0.00 0.54 -0.02 -2.00 0.02 0.00 0.00 176.95 175.49 1wr4 s GLU 10 N -1.72 0.28 -0.17 4.98 2.12 -0.13 -4.77 118.70 119.30 1wr4 s GLU 10 Ca 0.31 -0.04 -0.22 0.00 0.36 0.00 0.00 54.97 55.38 1wr4 s GLU 10 Cb -0.15 -0.34 -0.03 0.00 0.26 0.00 0.00 34.13 33.88 1wr4 s GLU 10 CO 0.17 -0.01 0.68 -1.83 -0.54 0.00 0.00 175.26 173.73 1wr4 s GLU 11 N 0.34 4.27 0.32 4.30 4.04 -1.26 0.15 118.70 130.85 1wr4 s GLU 11 Ca -0.03 0.74 0.03 0.00 0.04 0.00 0.00 54.97 55.75 1wr4 s GLU 11 Cb -0.06 -3.55 -0.05 0.00 0.02 0.00 0.00 34.13 30.49 1wr4 s GLU 11 CO -0.01 -0.19 0.10 1.03 -1.84 0.00 0.00 175.26 174.35 1wr4 s ARG 12 N 1.74 1.63 0.29 -4.83 0.52 0.29 -4.97 118.95 113.61 1wr4 s ARG 12 Ca 0.32 -1.92 0.11 0.00 -0.52 0.00 0.00 55.73 53.71 1wr4 s ARG 12 Cb -0.16 -0.48 -0.05 0.00 0.52 0.00 0.00 34.95 34.78 1wr4 s ARG 12 CO 0.12 -0.33 -0.11 0.15 0.02 0.00 0.00 175.30 175.15 1wr4 s LYS 13 N -3.88 1.89 0.11 3.54 1.02 -1.26 -0.87 119.74 120.29 1wr4 s LYS 13 Ca 0.34 -1.71 0.01 0.00 0.02 0.00 0.00 55.97 54.63 1wr4 s LYS 13 Cb 0.06 -1.87 0.01 0.00 -0.52 0.00 0.00 37.83 35.51 1wr4 s LYS 13 CO 0.15 0.28 0.07 -0.40 -0.92 0.00 0.00 175.35 174.53 1wr4 n ASP 14 N -0.75 1.50 0.08 2.83 5.75 -0.90 -4.95 116.55 120.11 1wr4 n ASP 14 Ca -0.05 -1.39 0.12 0.00 -0.01 0.00 0.00 54.79 53.46 1wr4 n ASP 14 Cb 0.61 0.01 0.46 0.00 -1.03 0.00 0.00 41.12 41.16 1wr4 n ASP 14 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wr4 n ALA 15 N -2.76 2.05 0.00 2.12 0.00 -1.26 -3.08 120.51 117.59 1wr4 n ALA 15 Ca -0.04 -0.01 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 1wr4 n ALA 15 Cb 0.13 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.02 1wr4 n ALA 15 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1wr4 h LYS 16 N 0.00 0.15 0.00 0.00 3.64 -2.05 -3.48 116.57 114.83 1wr4 h LYS 16 Ca 0.00 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1wr4 h LYS 16 Cb 0.53 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1wr4 h LYS 16 CO 0.00 0.90 0.00 0.41 -2.27 0.00 0.00 179.45 178.49 1wr4 n GLY 17 N 1.76 1.95 3.92 5.01 0.00 -1.18 -5.13 105.19 111.52 1wr4 n GLY 17 Ca -0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 1wr4 n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wr4 s ARG 18 N -0.00 3.55 -0.29 1.61 3.52 -1.26 -4.87 118.95 121.21 1wr4 s ARG 18 Ca 0.00 -0.25 -0.08 0.00 -0.13 0.00 0.00 55.73 55.27 1wr4 s ARG 18 Cb 0.00 -2.81 -0.01 0.00 -1.56 0.00 0.00 34.95 30.58 1wr4 s ARG 18 CO 0.00 0.38 0.10 0.99 -0.81 0.00 0.00 175.30 175.96 1wr4 s THR 19 N -1.87 4.25 0.32 4.11 2.01 -1.26 -2.12 115.64 121.08 1wr4 s THR 19 Ca 0.40 -0.48 0.09 0.00 0.31 0.00 0.00 61.69 62.01 1wr4 s THR 19 Cb -0.11 -3.13 -0.05 0.00 0.01 0.00 0.00 72.50 69.22 1wr4 s THR 19 CO 0.29 0.14 0.02 -0.72 -0.69 0.00 0.00 174.62 173.66 1wr4 s TYR 20 N 1.56 2.59 -0.21 4.92 -0.85 -0.05 -4.91 117.35 120.40 1wr4 s TYR 20 Ca 0.04 -0.38 -0.04 0.00 -0.52 0.00 0.00 57.07 56.17 1wr4 s TYR 20 Cb -0.17 -1.43 -0.02 0.00 0.38 0.00 0.00 41.96 40.73 1wr4 s TYR 20 CO 0.04 0.50 -0.02 0.71 -1.52 0.00 0.00 175.55 175.25 1wr4 s TYR 21 N -2.47 2.99 -0.22 -3.49 2.02 0.76 -0.55 117.35 116.39 1wr4 s TYR 21 Ca 0.34 -0.67 -0.02 0.00 -0.37 0.00 0.00 57.07 56.35 1wr4 s TYR 21 Cb -0.02 -2.08 0.01 0.00 -0.40 0.00 0.00 41.96 39.47 1wr4 s TYR 21 CO 0.20 -0.37 -0.09 0.54 -1.57 0.00 0.00 175.55 174.25 1wr4 s VAL 22 N 1.19 2.83 0.03 0.71 0.11 0.12 -0.46 120.40 124.93 1wr4 s VAL 22 Ca 0.03 -0.80 -0.27 0.00 -2.93 0.00 0.00 61.98 58.01 1wr4 s VAL 22 Cb -0.14 -2.32 -0.05 0.00 -1.53 0.00 0.00 36.38 32.34 1wr4 s VAL 22 CO 0.00 0.38 0.86 0.21 -3.33 0.00 0.00 175.10 173.22 1wr4 s ASN 23 N 1.37 7.28 -0.02 3.54 3.84 0.37 -0.95 114.94 130.38 1wr4 s ASN 23 Ca 0.04 1.54 0.07 0.00 0.21 0.00 0.00 52.86 54.72 1wr4 s ASN 23 Cb -0.15 -2.51 -0.24 0.00 -0.55 0.00 0.00 41.25 37.80 1wr4 s ASN 23 CO -0.06 -0.10 0.76 0.45 -2.79 0.00 0.00 177.10 175.36 1wr4 h HIS 24 N 6.15 0.12 0.08 0.43 3.86 -1.35 0.54 115.15 124.98 1wr4 h HIS 24 Ca -0.42 -0.09 -0.31 0.00 -1.16 0.00 0.00 60.37 58.39 1wr4 h HIS 24 Cb 1.21 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.65 1wr4 h HIS 24 CO 0.66 1.14 -1.67 -2.95 0.86 0.00 0.00 177.93 175.98 1wr4 h ASN 25 N 0.02 0.28 0.82 2.45 -1.07 -1.94 -3.34 115.58 112.80 1wr4 h ASN 25 Ca -0.25 -0.48 -0.22 0.00 0.07 0.00 0.00 56.30 55.42 1wr4 h ASN 25 Cb 1.98 -0.09 -0.04 0.00 -2.07 0.00 0.00 38.32 38.10 1wr4 h ASN 25 CO 0.10 1.41 -1.27 -1.13 0.07 0.00 0.00 177.43 176.61 1wr4 h ASN 26 N 0.05 0.00 -4.78 6.14 -0.00 -1.91 -3.48 115.58 111.60 1wr4 h ASN 26 Ca -0.29 0.00 -0.27 0.00 -0.00 0.00 0.00 56.30 55.74 1wr4 h ASN 26 Cb 2.01 0.00 0.12 0.00 -0.00 0.00 0.00 38.32 40.45 1wr4 h ASN 26 CO 0.12 0.87 -0.57 -1.14 -0.00 0.00 0.00 177.43 176.72 1wr4 n ARG 27 N -3.15 -5.46 -4.43 6.67 0.63 0.16 -5.03 116.66 106.06 1wr4 n ARG 27 Ca -0.08 0.65 -0.34 0.00 -0.92 0.00 0.00 57.85 57.16 1wr4 n ARG 27 Cb 0.94 -5.09 -0.12 0.00 0.45 0.00 0.00 32.46 28.64 1wr4 n ARG 27 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1wr4 s THR 28 N -3.27 3.93 -0.41 5.15 -4.23 -1.11 -4.91 115.64 110.80 1wr4 s THR 28 Ca 0.16 -0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 60.27 1wr4 s THR 28 Cb -0.07 -2.69 0.10 0.00 1.34 0.00 0.00 72.50 71.18 1wr4 s THR 28 CO 0.56 0.53 0.21 0.42 -0.54 0.00 0.00 174.62 175.79 1wr4 s THR 29 N 0.00 3.46 0.13 3.99 -4.23 -1.26 -0.48 115.64 117.25 1wr4 s THR 29 Ca 0.01 -1.89 0.11 0.00 -1.18 0.00 0.00 61.69 58.73 1wr4 s THR 29 Cb -0.13 -3.30 -0.04 0.00 1.34 0.00 0.00 72.50 70.37 1wr4 s THR 29 CO 0.03 -0.63 -0.26 0.28 -0.54 0.00 0.00 174.62 173.50 1wr4 s THR 30 N 1.21 2.20 -0.76 3.99 -1.32 0.39 -4.96 115.64 116.39 1wr4 s THR 30 Ca 0.06 -1.74 -0.02 0.00 -1.21 0.00 0.00 61.69 58.78 1wr4 s THR 30 Cb -0.23 -1.96 0.37 0.00 -1.51 0.00 0.00 72.50 69.18 1wr4 s THR 30 CO -0.03 0.07 2.06 0.79 -2.21 0.00 0.00 174.62 175.30 1wr4 n TRP 31 N 0.91 2.98 -3.70 9.09 7.02 -1.26 -0.17 117.44 132.32 1wr4 n TRP 31 Ca -0.18 -2.55 -0.14 0.00 -1.02 0.00 0.00 57.50 53.61 1wr4 n TRP 31 Cb 0.53 -1.29 -0.09 0.00 -2.42 0.00 0.00 31.31 28.05 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 -4.82 0.00 -0.40 -0.99 -1.32 -1.26 -4.98 115.64 101.88 1wr4 s THR 32 Ca 0.56 -0.04 -0.23 0.00 -1.21 0.00 0.00 61.69 60.77 1wr4 s THR 32 Cb 0.46 -0.71 0.01 0.00 -1.51 0.00 0.00 72.50 70.75 1wr4 s THR 32 CO -0.26 -0.02 0.77 0.00 -2.21 0.00 0.00 174.62 172.90 1wr4 s ARG 33 N 0.04 3.62 0.01 7.08 1.70 -1.26 -4.70 118.95 125.43 1wr4 s ARG 33 Ca -0.02 0.14 -0.30 0.00 -0.47 0.00 0.00 55.73 55.07 1wr4 s ARG 33 Cb -0.03 -3.86 -0.05 0.00 -0.57 0.00 0.00 34.95 30.44 1wr4 s ARG 33 CO 0.02 -0.94 1.22 -2.14 -1.08 0.00 0.00 175.30 172.37 1wr4 s PRO 34 N 3.14 4.39 -1.34 3.89 0.02 -1.26 -4.94 135.00 138.90 1wr4 s PRO 34 Ca 0.30 1.74 -0.12 0.00 0.02 0.00 0.00 61.00 62.95 1wr4 s PRO 34 Cb -0.13 -3.46 0.12 0.00 0.02 0.00 0.00 34.50 31.05 1wr4 s PRO 34 CO 0.19 -0.36 1.96 -0.89 -0.33 0.00 0.00 177.00 177.56 1wr4 n ILE 35 N 4.28 4.01 -0.74 2.83 2.08 -1.26 -4.32 119.36 126.25 1wr4 n ILE 35 Ca 0.10 -3.93 0.00 0.00 0.56 0.00 0.00 62.75 59.48 1wr4 n ILE 35 Cb 0.46 -2.45 0.00 0.00 -0.75 0.00 0.00 39.64 36.90 1wr4 n ILE 35 CO 0.00 0.00 0.00 0.23 0.56 0.00 0.00 176.55 177.34