#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr4 n SER 2 N 0.00 -7.55 -0.25 1.61 7.64 -1.26 -4.93 113.62 108.87 1wr4 n SER 2 Ca 0.00 -0.04 -0.06 0.00 1.01 0.00 0.00 58.87 59.78 1wr4 n SER 2 Cb 0.00 -4.97 0.07 0.00 -1.01 0.00 0.00 64.21 58.30 1wr4 n SER 2 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1wr4 h PRO 3 N 0.70 1.13 0.00 1.43 0.11 -2.02 -3.48 132.00 129.87 1wr4 h PRO 3 Ca -0.06 -0.25 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1wr4 h PRO 3 Cb 1.04 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1wr4 h PRO 3 CO 0.29 0.97 0.00 0.41 -0.21 0.00 0.00 178.00 179.46 1wr4 n GLY 4 N -0.74 2.88 3.29 -0.55 0.00 -1.26 -5.18 105.19 103.63 1wr4 n GLY 4 Ca 0.06 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 45.22 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 2.18 0.00 0.99 1.43 -1.26 -5.02 118.68 116.99 1wr4 s LEU 5 Ca 0.00 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 51.91 1wr4 s LEU 5 Cb 0.00 -0.19 0.00 0.00 0.03 0.00 0.00 46.19 46.03 1wr4 s LEU 5 CO 0.00 -0.52 0.00 -2.65 0.23 0.00 0.00 176.35 173.41 1wr4 n PRO 6 N -0.34 0.00 0.00 1.29 -0.02 -1.26 -4.76 135.00 129.90 1wr4 n PRO 6 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1wr4 n PRO 6 Cb 0.63 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 1wr4 n PRO 6 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1wr4 n SER 7 N 1.56 0.00 -0.00 2.55 7.64 -1.26 -4.16 113.62 119.95 1wr4 n SER 7 Ca 0.00 0.00 0.16 0.00 1.01 0.00 0.00 58.87 60.04 1wr4 n SER 7 Cb 0.00 0.00 0.88 0.00 -1.01 0.00 0.00 64.21 64.08 1wr4 n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wr4 n GLY 8 N 0.00 -1.10 3.79 0.23 0.00 -1.26 -4.74 105.19 102.10 1wr4 n GLY 8 Ca 0.00 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.22 3.43 -0.02 1.61 0.52 -1.26 -2.48 118.94 118.54 1wr4 s TRP 9 Ca 0.41 0.38 0.04 0.00 0.02 0.00 0.00 56.10 56.95 1wr4 s TRP 9 Cb 0.21 -1.92 -0.01 0.00 -1.15 0.00 0.00 33.47 30.60 1wr4 s TRP 9 CO 0.40 0.58 -0.13 -2.00 0.02 0.00 0.00 176.95 175.82 1wr4 s GLU 10 N -0.77 1.15 0.06 4.98 2.12 -0.33 -4.68 118.70 121.22 1wr4 s GLU 10 Ca 0.13 -0.48 -0.21 0.00 0.36 0.00 0.00 54.97 54.77 1wr4 s GLU 10 Cb -0.12 -1.09 -0.06 0.00 0.26 0.00 0.00 34.13 33.12 1wr4 s GLU 10 CO 0.03 0.27 0.64 -1.83 -0.54 0.00 0.00 175.26 173.82 1wr4 s GLU 11 N -0.23 4.34 0.27 4.30 4.04 -1.26 0.30 118.70 130.46 1wr4 s GLU 11 Ca 0.03 0.85 0.05 0.00 0.04 0.00 0.00 54.97 55.94 1wr4 s GLU 11 Cb -0.06 -3.29 -0.02 0.00 0.02 0.00 0.00 34.13 30.78 1wr4 s GLU 11 CO -0.00 0.50 0.17 0.54 -1.84 0.00 0.00 175.26 174.63 1wr4 n ARG 12 N 2.14 0.46 -4.62 -4.83 1.74 0.20 -4.94 116.66 106.81 1wr4 n ARG 12 Ca -0.07 -2.53 -0.23 0.00 -0.77 0.00 0.00 57.85 54.24 1wr4 n ARG 12 Cb 0.50 1.76 -0.14 0.00 -1.02 0.00 0.00 32.46 33.56 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 -3.08 1.22 0.19 5.56 -0.14 -1.26 -2.02 119.74 120.22 1wr4 s LYS 13 Ca 0.23 -0.70 0.01 0.00 -1.36 0.00 0.00 55.97 54.15 1wr4 s LYS 13 Cb 0.01 -1.23 0.04 0.00 -1.68 0.00 0.00 37.83 34.97 1wr4 s LYS 13 CO 0.17 0.32 0.27 -0.40 -0.76 0.00 0.00 175.35 174.95 1wr4 n ASP 14 N 2.29 0.42 -0.15 2.83 5.75 -1.07 -4.91 116.55 121.71 1wr4 n ASP 14 Ca -0.16 -1.34 0.03 0.00 -0.01 0.00 0.00 54.79 53.31 1wr4 n ASP 14 Cb 0.54 -0.17 0.33 0.00 -1.03 0.00 0.00 41.12 40.79 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 -0.30 1.60 0.14 2.12 0.00 -2.01 -2.71 119.26 118.10 1wr4 h ALA 15 Ca -0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1wr4 h ALA 15 Cb 0.34 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1wr4 h ALA 15 CO 0.10 0.34 -0.07 0.87 0.00 0.00 0.00 179.25 180.50 1wr4 h LYS 16 N 0.81 -0.18 0.00 0.00 1.57 -2.05 -3.48 116.57 113.25 1wr4 h LYS 16 Ca 0.25 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1wr4 h LYS 16 Cb 0.01 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1wr4 h LYS 16 CO -0.07 0.27 0.00 0.41 -0.57 0.00 0.00 179.45 179.50 1wr4 n GLY 17 N 0.76 0.59 3.82 3.86 0.00 -1.02 -5.14 105.19 108.06 1wr4 n GLY 17 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 4.20 -0.58 1.61 3.52 -1.26 -4.71 118.95 121.73 1wr4 s ARG 18 Ca 0.00 0.90 -0.27 0.00 -0.13 0.00 0.00 55.73 56.24 1wr4 s ARG 18 Cb 0.00 -2.58 0.03 0.00 -1.56 0.00 0.00 34.95 30.84 1wr4 s ARG 18 CO 0.00 0.22 1.11 0.99 -0.81 0.00 0.00 175.30 176.81 1wr4 s THR 19 N -1.82 4.12 0.14 4.11 2.01 -1.26 -2.60 115.64 120.34 1wr4 s THR 19 Ca 0.51 0.63 0.06 0.00 0.31 0.00 0.00 61.69 63.21 1wr4 s THR 19 Cb -0.13 -4.68 -0.04 0.00 0.01 0.00 0.00 72.50 67.66 1wr4 s THR 19 CO 0.19 -1.31 0.02 -0.72 -0.69 0.00 0.00 174.62 172.11 1wr4 s TYR 20 N 4.66 2.95 -0.21 4.92 1.13 -0.86 -4.89 117.35 125.05 1wr4 s TYR 20 Ca 0.38 -0.08 -0.06 0.00 -1.41 0.00 0.00 57.07 55.90 1wr4 s TYR 20 Cb -0.09 -1.46 -0.03 0.00 -1.10 0.00 0.00 41.96 39.28 1wr4 s TYR 20 CO 0.22 0.50 0.02 0.71 -2.51 0.00 0.00 175.55 174.50 1wr4 s TYR 21 N -1.58 3.07 -0.24 -3.49 2.02 0.10 -0.63 117.35 116.61 1wr4 s TYR 21 Ca 0.27 -0.42 -0.00 0.00 -0.37 0.00 0.00 57.07 56.55 1wr4 s TYR 21 Cb -0.10 -2.13 0.03 0.00 -0.40 0.00 0.00 41.96 39.36 1wr4 s TYR 21 CO 0.19 -0.25 -0.09 0.54 -1.57 0.00 0.00 175.55 174.37 1wr4 s VAL 22 N 1.13 2.59 -0.19 0.71 0.11 0.15 -0.89 120.40 124.00 1wr4 s VAL 22 Ca 0.03 -1.14 -0.27 0.00 -2.93 0.00 0.00 61.98 57.67 1wr4 s VAL 22 Cb -0.14 -2.32 -0.01 0.00 -1.53 0.00 0.00 36.38 32.38 1wr4 s VAL 22 CO 0.02 0.21 0.92 0.21 -3.33 0.00 0.00 175.10 173.13 1wr4 s ASN 23 N 1.27 7.03 -0.07 3.54 3.84 0.16 -1.19 114.94 129.52 1wr4 s ASN 23 Ca -0.01 1.27 -0.16 0.00 0.21 0.00 0.00 52.86 54.17 1wr4 s ASN 23 Cb -0.17 -2.49 -0.30 0.00 -0.55 0.00 0.00 41.25 37.74 1wr4 s ASN 23 CO -0.06 -0.51 0.69 0.45 -2.79 0.00 0.00 177.10 174.89 1wr4 h HIS 24 N 7.39 0.57 -0.28 0.43 3.86 -1.78 -0.28 115.15 125.06 1wr4 h HIS 24 Ca -0.25 -0.41 -0.13 0.00 -1.16 0.00 0.00 60.37 58.41 1wr4 h HIS 24 Cb 1.11 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.55 1wr4 h HIS 24 CO 0.73 1.52 -0.35 -2.95 0.86 0.00 0.00 177.93 177.75 1wr4 h ASN 25 N -0.21 0.79 0.66 2.45 7.08 -1.93 -2.96 115.58 121.45 1wr4 h ASN 25 Ca -0.27 -0.49 0.00 0.00 -3.08 0.00 0.00 56.30 52.46 1wr4 h ASN 25 Cb 1.83 -0.22 0.00 0.00 -2.08 0.00 0.00 38.32 37.85 1wr4 h ASN 25 CO 0.12 1.13 -0.42 -3.20 -2.08 0.00 0.00 177.43 172.98 1wr4 n ASN 26 N -4.21 0.44 -3.49 6.14 5.15 -1.26 -4.96 115.26 113.06 1wr4 n ASN 26 Ca -0.04 -0.05 -0.20 0.00 -0.60 0.00 0.00 54.58 53.69 1wr4 n ASN 26 Cb 0.51 0.08 0.06 0.00 -0.53 0.00 0.00 39.78 39.90 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 -1.60 -3.88 -5.00 1.20 0.63 -0.43 -5.01 116.66 102.58 1wr4 n ARG 27 Ca 0.05 0.73 -0.32 0.00 -0.92 0.00 0.00 57.85 57.39 1wr4 n ARG 27 Cb 0.35 -5.38 -0.15 0.00 0.45 0.00 0.00 32.46 27.73 1wr4 n ARG 27 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1wr4 s THR 28 N -3.48 2.66 -0.24 5.15 2.01 -0.25 -4.95 115.64 116.53 1wr4 s THR 28 Ca 0.22 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.41 1wr4 s THR 28 Cb -0.05 -2.05 0.05 0.00 0.01 0.00 0.00 72.50 70.47 1wr4 s THR 28 CO 0.78 0.56 -0.12 0.42 -0.69 0.00 0.00 174.62 175.57 1wr4 s THR 29 N -0.09 2.08 0.13 -0.82 -4.23 -1.26 0.40 115.64 111.85 1wr4 s THR 29 Ca -0.04 -1.48 0.07 0.00 -1.18 0.00 0.00 61.69 59.06 1wr4 s THR 29 Cb -0.14 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.50 1wr4 s THR 29 CO 0.04 0.05 -0.17 0.28 -0.54 0.00 0.00 174.62 174.28 1wr4 s THR 30 N 1.16 1.54 -0.90 3.99 -1.32 -0.07 -5.00 115.64 115.04 1wr4 s THR 30 Ca -0.07 -1.70 0.17 0.00 -1.21 0.00 0.00 61.69 58.88 1wr4 s THR 30 Cb -0.19 -1.58 0.61 0.00 -1.51 0.00 0.00 72.50 69.83 1wr4 s THR 30 CO -0.06 -0.29 1.53 0.79 -2.21 0.00 0.00 174.62 174.38 1wr4 n TRP 31 N 0.66 1.22 -4.43 9.09 7.02 -1.26 0.01 117.44 129.74 1wr4 n TRP 31 Ca -0.16 -0.64 -0.25 0.00 -1.02 0.00 0.00 57.50 55.42 1wr4 n TRP 31 Cb 0.56 -0.22 -0.09 0.00 -2.42 0.00 0.00 31.31 29.13 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 -1.89 2.43 -0.38 -0.99 -1.32 -1.26 -4.89 115.64 107.33 1wr4 s THR 32 Ca 0.45 -2.07 -0.24 0.00 -1.21 0.00 0.00 61.69 58.62 1wr4 s THR 32 Cb 0.30 -2.74 0.01 0.00 -1.51 0.00 0.00 72.50 68.56 1wr4 s THR 32 CO 0.20 -0.19 0.82 -0.13 -2.21 0.00 0.00 174.62 173.11 1wr4 s ARG 33 N -3.67 3.71 0.20 7.08 0.52 -1.26 -4.70 118.95 120.83 1wr4 s ARG 33 Ca 0.34 0.29 -0.30 0.00 -0.52 0.00 0.00 55.73 55.54 1wr4 s ARG 33 Cb 0.01 -3.83 -0.08 0.00 0.52 0.00 0.00 34.95 31.57 1wr4 s ARG 33 CO 0.18 -0.92 1.17 -1.25 0.02 0.00 0.00 175.30 174.49 1wr4 s PRO 34 N 3.23 4.53 0.00 3.54 0.04 -1.26 -4.93 135.00 140.15 1wr4 s PRO 34 Ca 0.33 1.84 0.04 0.00 0.04 0.00 0.00 61.00 63.25 1wr4 s PRO 34 Cb -0.13 -3.23 0.11 0.00 0.04 0.00 0.00 34.50 31.29 1wr4 s PRO 34 CO 0.19 -0.01 1.04 0.44 0.04 0.00 0.00 177.00 178.69 1wr4 n ILE 35 N 2.22 0.87 -1.85 0.56 -0.00 -1.26 -4.72 119.36 115.18 1wr4 n ILE 35 Ca 0.03 -0.94 0.00 0.00 -0.00 0.00 0.00 62.75 61.84 1wr4 n ILE 35 Cb 0.45 0.58 0.00 0.00 -0.00 0.00 0.00 39.64 40.66 1wr4 n ILE 35 CO 0.00 0.00 0.00 0.80 -0.00 0.00 0.00 176.55 177.35