#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 6.43 0.19 1.61 0.01 -1.26 -4.88 113.70 115.81 1wr4 s SER 2 Ca 0.00 2.32 0.26 0.00 1.31 0.00 0.00 55.95 59.84 1wr4 s SER 2 Cb 0.00 -2.53 0.85 0.00 0.21 0.00 0.00 66.02 64.55 1wr4 s SER 2 CO 0.00 -1.11 1.79 -0.81 0.41 0.00 0.00 173.24 173.52 1wr4 n PRO 3 N 7.51 0.24 0.00 12.44 -0.04 -1.26 -5.02 135.00 148.88 1wr4 n PRO 3 Ca 0.20 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1wr4 n PRO 3 Cb 0.43 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 1wr4 n PRO 3 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wr4 n GLY 4 N 1.32 2.25 3.58 0.55 0.00 -1.26 -4.46 105.19 107.18 1wr4 n GLY 4 Ca 0.06 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 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 4.14 1.02 0.99 1.02 -1.26 -4.93 118.68 119.66 1wr4 s LEU 5 Ca 0.00 0.03 -0.15 0.00 0.02 0.00 0.00 54.13 54.04 1wr4 s LEU 5 Cb 0.00 -2.28 0.08 0.00 0.02 0.00 0.00 46.19 44.01 1wr4 s LEU 5 CO 0.00 -0.17 0.34 -2.65 0.02 0.00 0.00 176.35 173.89 1wr4 n PRO 6 N 5.23 -0.89 -1.76 1.29 -0.02 -1.26 -4.78 135.00 132.80 1wr4 n PRO 6 Ca -0.11 -0.23 -0.42 0.00 -2.02 0.00 0.00 63.50 60.72 1wr4 n PRO 6 Cb 0.51 -1.85 -0.03 0.00 -0.02 0.00 0.00 33.50 32.11 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 -2.01 6.51 0.00 2.55 0.01 -1.26 -0.69 113.70 118.81 1wr4 s SER 7 Ca 0.58 2.56 0.00 0.00 1.31 0.00 0.00 55.95 60.39 1wr4 s SER 7 Cb -0.18 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1wr4 s SER 7 CO 0.66 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1wr4 n GLY 8 N 4.43 2.03 3.63 3.44 0.00 -1.26 -4.91 105.19 112.55 1wr4 n GLY 8 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.20 3.20 -0.05 1.61 0.52 0.14 0.07 118.94 122.22 1wr4 s TRP 9 Ca 0.00 1.02 0.06 0.00 0.02 0.00 0.00 56.10 57.20 1wr4 s TRP 9 Cb 0.00 -3.40 -0.01 0.00 -1.15 0.00 0.00 33.47 28.91 1wr4 s TRP 9 CO 0.00 -0.63 -0.24 -2.00 0.02 0.00 0.00 176.95 174.09 1wr4 s GLU 10 N 3.24 2.38 0.00 4.98 2.12 -0.15 -4.57 118.70 126.70 1wr4 s GLU 10 Ca 0.38 -0.88 -0.14 0.00 0.36 0.00 0.00 54.97 54.69 1wr4 s GLU 10 Cb -0.13 -2.07 -0.06 0.00 0.26 0.00 0.00 34.13 32.13 1wr4 s GLU 10 CO 0.13 0.40 0.40 -1.83 -0.54 0.00 0.00 175.26 173.83 1wr4 s GLU 11 N -0.24 3.90 0.00 4.30 -1.05 -1.26 0.34 118.70 124.69 1wr4 s GLU 11 Ca -0.01 0.40 0.00 0.00 -0.15 0.00 0.00 54.97 55.21 1wr4 s GLU 11 Cb -0.13 -3.21 0.00 0.00 -0.44 0.00 0.00 34.13 30.35 1wr4 s GLU 11 CO 0.03 0.69 0.00 0.54 0.95 0.00 0.00 175.26 177.46 1wr4 n ARG 12 N 1.78 0.11 -3.99 -4.83 1.74 0.23 -4.92 116.66 106.77 1wr4 n ARG 12 Ca -0.14 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.85 1wr4 n ARG 12 Cb 0.52 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.86 1wr4 n ARG 12 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1wr4 s LYS 13 N -1.51 0.35 0.00 5.56 3.01 -1.26 -2.40 119.74 123.49 1wr4 s LYS 13 Ca 0.00 -0.68 0.00 0.00 -1.01 0.00 0.00 55.97 54.28 1wr4 s LYS 13 Cb 0.00 0.12 0.00 0.00 -1.01 0.00 0.00 37.83 36.94 1wr4 s LYS 13 CO 0.00 -0.06 0.00 -0.40 0.51 0.00 0.00 175.35 175.40 1wr4 n ASP 14 N 1.42 -0.07 0.15 2.83 5.75 -0.67 -4.87 116.55 121.10 1wr4 n ASP 14 Ca -0.23 -0.56 0.12 0.00 -0.01 0.00 0.00 54.79 54.12 1wr4 n ASP 14 Cb 0.56 0.00 0.55 0.00 -1.03 0.00 0.00 41.12 41.20 1wr4 n ASP 14 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wr4 h ALA 15 N -2.00 1.00 0.00 2.12 0.00 -2.02 -3.17 119.26 115.18 1wr4 h ALA 15 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1wr4 h ALA 15 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1wr4 h ALA 15 CO 0.00 0.00 -1.90 1.63 0.00 0.00 0.00 179.25 178.98 1wr4 n LYS 16 N -2.32 0.37 0.00 0.00 5.02 -1.26 -5.03 118.16 114.94 1wr4 n LYS 16 Ca 0.01 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1wr4 n LYS 16 Cb 0.17 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 1wr4 n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wr4 n GLY 17 N 2.44 0.00 3.82 0.72 0.00 -1.20 -5.14 105.19 105.82 1wr4 n GLY 17 Ca -0.30 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 4.23 -0.29 1.61 0.52 -1.26 -4.77 118.95 119.00 1wr4 s ARG 18 Ca 0.00 0.84 -0.26 0.00 -0.52 0.00 0.00 55.73 55.79 1wr4 s ARG 18 Cb 0.00 -2.88 0.01 0.00 0.52 0.00 0.00 34.95 32.60 1wr4 s ARG 18 CO 0.00 0.40 0.92 0.99 0.02 0.00 0.00 175.30 177.63 1wr4 s THR 19 N -1.52 4.70 0.07 0.02 2.01 -1.26 -1.66 115.64 117.99 1wr4 s THR 19 Ca 0.43 1.57 0.06 0.00 0.31 0.00 0.00 61.69 64.05 1wr4 s THR 19 Cb -0.16 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.07 1wr4 s THR 19 CO 0.21 -0.27 -0.15 -0.72 -0.69 0.00 0.00 174.62 172.99 1wr4 s TYR 20 N 3.19 1.32 -0.16 4.92 -0.85 -1.01 -4.74 117.35 120.02 1wr4 s TYR 20 Ca 0.39 -0.44 -0.03 0.00 -0.52 0.00 0.00 57.07 56.46 1wr4 s TYR 20 Cb -0.14 -0.74 -0.02 0.00 0.38 0.00 0.00 41.96 41.44 1wr4 s TYR 20 CO 0.11 0.08 -0.05 0.71 -1.52 0.00 0.00 175.55 174.88 1wr4 s TYR 21 N -1.20 2.98 -0.28 -3.49 1.51 0.11 -0.61 117.35 116.37 1wr4 s TYR 21 Ca -0.00 -0.45 0.00 0.00 -1.01 0.00 0.00 57.07 55.61 1wr4 s TYR 21 Cb -0.10 -1.97 0.05 0.00 -0.11 0.00 0.00 41.96 39.84 1wr4 s TYR 21 CO 0.02 -0.15 -0.05 0.54 -1.11 0.00 0.00 175.55 174.80 1wr4 s VAL 22 N 0.57 2.62 -0.39 0.71 0.11 0.15 -0.80 120.40 123.37 1wr4 s VAL 22 Ca -0.04 -1.49 -0.21 0.00 -2.93 0.00 0.00 61.98 57.31 1wr4 s VAL 22 Cb -0.15 -2.51 0.01 0.00 -1.53 0.00 0.00 36.38 32.20 1wr4 s VAL 22 CO 0.03 -0.06 0.69 0.21 -3.33 0.00 0.00 175.10 172.63 1wr4 s ASN 23 N 1.19 6.42 0.30 3.54 2.47 0.16 -0.98 114.94 128.04 1wr4 s ASN 23 Ca -0.07 0.04 0.12 0.00 0.42 0.00 0.00 52.86 53.37 1wr4 s ASN 23 Cb -0.20 -2.35 0.45 0.00 -1.45 0.00 0.00 41.25 37.70 1wr4 s ASN 23 CO -0.03 -0.71 1.65 0.45 -3.72 0.00 0.00 177.10 174.74 1wr4 h HIS 24 N 8.64 0.00 0.17 0.43 3.86 -0.66 -0.55 115.15 127.04 1wr4 h HIS 24 Ca -0.26 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.95 1wr4 h HIS 24 Cb 1.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.57 1wr4 h HIS 24 CO 0.76 0.55 -0.08 -0.91 0.86 0.00 0.00 177.93 179.11 1wr4 h ASN 25 N 0.00 -0.20 0.42 2.45 4.21 -1.91 -3.31 115.58 117.24 1wr4 h ASN 25 Ca -0.01 -0.20 0.00 0.00 1.21 0.00 0.00 56.30 57.31 1wr4 h ASN 25 Cb 1.02 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.27 1wr4 h ASN 25 CO 0.07 0.35 -0.17 -3.20 -1.29 0.00 0.00 177.43 173.18 1wr4 n ASN 26 N -4.92 0.52 -3.08 5.81 5.15 -1.25 -4.95 115.26 112.54 1wr4 n ASN 26 Ca -0.05 -0.48 -0.14 0.00 -0.60 0.00 0.00 54.58 53.31 1wr4 n ASN 26 Cb 0.19 -0.04 0.07 0.00 -0.53 0.00 0.00 39.78 39.47 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 -1.02 -2.93 -5.14 1.20 0.63 -0.30 -5.03 116.66 104.07 1wr4 n ARG 27 Ca 0.12 0.77 -0.31 0.00 -0.92 0.00 0.00 57.85 57.51 1wr4 n ARG 27 Cb 0.30 -5.39 -0.17 0.00 0.45 0.00 0.00 32.46 27.65 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 -3.34 1.93 -0.68 5.15 -4.23 -0.68 -4.96 115.64 108.82 1wr4 s THR 28 Ca 0.31 -0.95 0.05 0.00 -1.18 0.00 0.00 61.69 59.92 1wr4 s THR 28 Cb -0.04 -1.67 0.20 0.00 1.34 0.00 0.00 72.50 72.33 1wr4 s THR 28 CO 0.66 0.53 0.58 0.41 -0.54 0.00 0.00 174.62 176.25 1wr4 n THR 29 N 3.45 1.81 -3.87 3.99 -1.04 -1.26 0.38 114.28 117.74 1wr4 n THR 29 Ca -0.19 -4.96 -0.32 0.00 -2.04 0.00 0.00 64.05 56.54 1wr4 n THR 29 Cb 0.53 -2.15 -0.04 0.00 -1.82 0.00 0.00 70.33 66.84 1wr4 n THR 29 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1wr4 s THR 30 N -1.77 5.37 -0.78 12.58 -1.32 0.02 -4.87 115.64 124.87 1wr4 s THR 30 Ca 0.30 -0.21 -0.02 0.00 -1.21 0.00 0.00 61.69 60.55 1wr4 s THR 30 Cb 0.02 -3.59 0.39 0.00 -1.51 0.00 0.00 72.50 67.81 1wr4 s THR 30 CO -0.12 0.21 2.02 0.79 -2.21 0.00 0.00 174.62 175.32 1wr4 n TRP 31 N 0.57 3.08 -3.69 9.09 7.02 -1.26 0.09 117.44 132.34 1wr4 n TRP 31 Ca -0.07 -2.59 -0.11 0.00 -1.02 0.00 0.00 57.50 53.71 1wr4 n TRP 31 Cb 0.52 -1.28 -0.06 0.00 -2.42 0.00 0.00 31.31 28.07 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 -4.99 0.07 0.06 -0.99 -1.32 -1.26 -4.99 115.64 102.22 1wr4 s THR 32 Ca 0.57 -0.61 -0.31 0.00 -1.21 0.00 0.00 61.69 60.13 1wr4 s THR 32 Cb 0.46 -1.07 -0.08 0.00 -1.51 0.00 0.00 72.50 70.31 1wr4 s THR 32 CO -0.27 -0.34 1.63 -0.60 -2.21 0.00 0.00 174.62 172.84 1wr4 s ARG 33 N -3.13 4.20 -0.31 7.08 6.06 -1.26 -4.66 118.95 126.93 1wr4 s ARG 33 Ca -0.01 2.30 -0.35 0.00 -2.50 0.00 0.00 55.73 55.17 1wr4 s ARG 33 Cb 0.01 -3.59 -0.11 0.00 0.06 0.00 0.00 34.95 31.32 1wr4 s ARG 33 CO -0.07 -0.72 2.15 -0.35 -2.50 0.00 0.00 175.30 173.81 1wr4 n PRO 34 N 5.56 1.24 -0.01 5.12 -0.04 -1.26 -4.79 135.00 140.82 1wr4 n PRO 34 Ca 0.16 0.36 0.02 0.00 -0.04 0.00 0.00 63.50 63.99 1wr4 n PRO 34 Cb 0.41 -2.53 0.02 0.00 -0.04 0.00 0.00 33.50 31.36 1wr4 n PRO 34 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1wr4 n ILE 35 N 7.00 0.18 -1.18 0.52 -5.35 -1.26 -5.02 119.36 114.25 1wr4 n ILE 35 Ca 0.38 -0.59 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1wr4 n ILE 35 Cb 0.25 0.98 0.00 0.00 -1.74 0.00 0.00 39.64 39.13 1wr4 n ILE 35 CO 0.00 0.00 0.00 0.80 -1.76 0.00 0.00 176.55 175.59