#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 6.18 -0.74 1.61 1.04 -1.26 -4.89 113.70 115.64 1wr4 s SER 2 Ca 0.00 -1.13 -0.06 0.00 0.48 0.00 0.00 55.95 55.23 1wr4 s SER 2 Cb 0.00 -2.22 -0.08 0.00 0.10 0.00 0.00 66.02 63.81 1wr4 s SER 2 CO 0.00 -0.73 3.06 -0.81 0.98 0.00 0.00 173.24 175.74 1wr4 n PRO 3 N 5.58 2.97 0.00 4.02 -0.04 -1.26 -4.53 135.00 141.73 1wr4 n PRO 3 Ca -0.10 -2.03 0.00 0.00 -0.04 0.00 0.00 63.50 61.33 1wr4 n PRO 3 Cb 0.45 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 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 2.26 3.14 3.44 0.55 0.00 -1.26 -4.99 105.19 108.33 1wr4 n GLY 4 Ca 0.57 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.30 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 2.51 0.80 0.99 1.43 -1.26 -5.01 118.68 118.13 1wr4 s LEU 5 Ca 0.00 -0.71 -0.14 0.00 -1.03 0.00 0.00 54.13 52.25 1wr4 s LEU 5 Cb 0.00 -1.34 0.03 0.00 0.03 0.00 0.00 46.19 44.91 1wr4 s LEU 5 CO 0.00 0.16 0.86 -2.65 0.23 0.00 0.00 176.35 174.95 1wr4 n PRO 6 N 0.67 0.19 -1.69 1.29 -0.02 -1.26 -4.64 135.00 129.53 1wr4 n PRO 6 Ca -0.16 0.12 -0.36 0.00 -2.02 0.00 0.00 63.50 61.09 1wr4 n PRO 6 Cb 0.54 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 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 -1.86 4.64 0.00 2.55 0.01 -1.26 -1.09 113.70 116.70 1wr4 s SER 7 Ca 0.69 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.79 1wr4 s SER 7 Cb -0.30 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.42 1wr4 s SER 7 CO 0.55 -2.77 0.00 0.61 0.41 0.00 0.00 173.24 172.04 1wr4 n GLY 8 N 5.95 1.37 3.78 3.44 0.00 -1.26 -4.99 105.19 113.48 1wr4 n GLY 8 Ca 0.33 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.70 3.66 -0.06 1.61 0.52 -0.25 -2.03 118.94 121.69 1wr4 s TRP 9 Ca 0.00 1.03 0.03 0.00 0.02 0.00 0.00 56.10 57.19 1wr4 s TRP 9 Cb 0.00 -2.46 0.01 0.00 -1.15 0.00 0.00 33.47 29.87 1wr4 s TRP 9 CO 0.00 0.43 -0.15 -2.00 0.02 0.00 0.00 176.95 175.25 1wr4 s GLU 10 N -0.37 1.84 -0.36 4.98 2.12 -0.43 -4.76 118.70 121.71 1wr4 s GLU 10 Ca 0.26 -0.53 -0.21 0.00 0.36 0.00 0.00 54.97 54.85 1wr4 s GLU 10 Cb -0.17 -1.53 0.00 0.00 0.26 0.00 0.00 34.13 32.70 1wr4 s GLU 10 CO 0.14 0.13 0.67 -1.83 -0.54 0.00 0.00 175.26 173.82 1wr4 s GLU 11 N 0.38 3.69 0.50 4.30 -1.05 -1.26 0.15 118.70 125.41 1wr4 s GLU 11 Ca -0.11 0.11 0.05 0.00 -0.15 0.00 0.00 54.97 54.87 1wr4 s GLU 11 Cb -0.14 -3.81 0.05 0.00 -0.44 0.00 0.00 34.13 29.79 1wr4 s GLU 11 CO 0.04 -0.76 0.39 0.54 0.95 0.00 0.00 175.26 176.42 1wr4 n ARG 12 N 6.12 0.74 -4.09 -4.83 1.74 0.88 -4.96 116.66 112.26 1wr4 n ARG 12 Ca -0.00 -3.12 -0.14 0.00 -0.77 0.00 0.00 57.85 53.82 1wr4 n ARG 12 Cb 0.48 0.31 -0.13 0.00 -1.02 0.00 0.00 32.46 32.10 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 -4.07 0.42 0.51 5.56 -2.85 -1.26 -1.77 119.74 116.27 1wr4 s LYS 13 Ca 0.30 -0.39 0.05 0.00 -1.00 0.00 0.00 55.97 54.93 1wr4 s LYS 13 Cb -0.02 -0.31 0.04 0.00 -2.06 0.00 0.00 37.83 35.48 1wr4 s LYS 13 CO 0.19 0.07 0.70 0.16 0.10 0.00 0.00 175.35 176.57 1wr4 s ASP 14 N -0.69 5.37 0.54 0.03 -4.77 0.42 -4.94 116.67 112.62 1wr4 s ASP 14 Ca -0.03 -0.31 0.25 0.00 -3.30 0.00 0.00 52.55 49.16 1wr4 s ASP 14 Cb -0.05 -0.59 1.53 0.00 -1.09 0.00 0.00 42.92 42.72 1wr4 s ASP 14 CO -0.00 -1.04 2.15 0.00 0.70 0.00 0.00 175.17 176.98 1wr4 h ALA 15 N 0.30 1.52 -0.00 2.11 0.00 -2.02 -0.31 119.26 120.86 1wr4 h ALA 15 Ca -0.39 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1wr4 h ALA 15 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1wr4 h ALA 15 CO 0.47 0.08 -0.10 1.63 0.00 0.00 0.00 179.25 181.33 1wr4 n LYS 16 N -3.92 0.74 -0.29 0.00 4.76 -1.26 -4.89 118.16 113.31 1wr4 n LYS 16 Ca -0.03 -0.25 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 1wr4 n LYS 16 Cb 0.16 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 1wr4 n LYS 16 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wr4 n GLY 17 N 1.26 0.85 3.79 0.72 0.00 -0.13 -5.06 105.19 106.62 1wr4 n GLY 17 Ca 0.15 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.68 4.50 -0.27 1.61 1.81 -1.25 -4.79 118.95 119.88 1wr4 s ARG 18 Ca 0.00 1.23 -0.12 0.00 -1.72 0.00 0.00 55.73 55.12 1wr4 s ARG 18 Cb 0.00 -2.77 -0.05 0.00 -0.45 0.00 0.00 34.95 31.69 1wr4 s ARG 18 CO 0.00 0.28 0.23 0.99 -0.68 0.00 0.00 175.30 176.12 1wr4 s THR 19 N -1.64 5.28 0.08 0.02 2.01 -1.26 -0.43 115.64 119.70 1wr4 s THR 19 Ca 0.50 0.27 0.08 0.00 0.31 0.00 0.00 61.69 62.85 1wr4 s THR 19 Cb -0.18 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 1wr4 s THR 19 CO 0.22 0.24 -0.21 -0.72 -0.69 0.00 0.00 174.62 173.46 1wr4 s TYR 20 N 1.77 1.83 -0.24 4.92 1.13 -0.73 -4.87 117.35 121.16 1wr4 s TYR 20 Ca 0.09 -0.40 -0.07 0.00 -1.41 0.00 0.00 57.07 55.27 1wr4 s TYR 20 Cb -0.16 -1.03 -0.03 0.00 -1.10 0.00 0.00 41.96 39.64 1wr4 s TYR 20 CO 0.10 0.18 0.07 0.71 -2.51 0.00 0.00 175.55 174.10 1wr4 s TYR 21 N -1.04 3.12 -0.26 -3.49 2.02 0.11 -0.08 117.35 117.74 1wr4 s TYR 21 Ca 0.07 -0.29 -0.01 0.00 -0.37 0.00 0.00 57.07 56.48 1wr4 s TYR 21 Cb -0.10 -2.21 0.03 0.00 -0.40 0.00 0.00 41.96 39.29 1wr4 s TYR 21 CO 0.04 -0.24 -0.06 0.54 -1.57 0.00 0.00 175.55 174.25 1wr4 s VAL 22 N 1.37 2.77 -0.30 0.71 0.11 0.12 -0.84 120.40 124.34 1wr4 s VAL 22 Ca 0.05 -1.16 -0.21 0.00 -2.93 0.00 0.00 61.98 57.73 1wr4 s VAL 22 Cb -0.15 -2.46 -0.01 0.00 -1.53 0.00 0.00 36.38 32.24 1wr4 s VAL 22 CO 0.04 0.13 0.66 0.21 -3.33 0.00 0.00 175.10 172.82 1wr4 s ASN 23 N 1.28 6.53 0.32 3.54 3.84 0.11 -1.32 114.94 129.26 1wr4 s ASN 23 Ca -0.02 0.48 0.22 0.00 0.21 0.00 0.00 52.86 53.75 1wr4 s ASN 23 Cb -0.17 -2.35 0.17 0.00 -0.55 0.00 0.00 41.25 38.35 1wr4 s ASN 23 CO -0.04 -0.51 1.36 0.45 -2.79 0.00 0.00 177.10 175.57 1wr4 h HIS 24 N 8.17 0.00 0.16 0.43 3.86 -1.70 -0.62 115.15 125.46 1wr4 h HIS 24 Ca -0.26 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.64 1wr4 h HIS 24 Cb 1.11 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.59 1wr4 h HIS 24 CO 0.76 0.08 -1.52 -0.97 0.86 0.00 0.00 177.93 177.14 1wr4 h ASN 25 N 0.00 0.54 0.00 2.45 -1.24 -1.92 -3.33 115.58 112.08 1wr4 h ASN 25 Ca -0.01 -0.91 0.00 0.00 0.71 0.00 0.00 56.30 56.09 1wr4 h ASN 25 Cb 1.07 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.94 1wr4 h ASN 25 CO 0.01 1.69 -0.10 -3.20 -1.29 0.00 0.00 177.43 174.54 1wr4 n ASN 26 N -3.77 2.17 -3.77 1.15 5.15 -1.25 -4.96 115.26 109.98 1wr4 n ASN 26 Ca -0.23 -1.65 -0.27 0.00 -0.60 0.00 0.00 54.58 51.82 1wr4 n ASN 26 Cb 0.99 0.08 0.05 0.00 -0.53 0.00 0.00 39.78 40.37 1wr4 n ASN 26 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1wr4 n ARG 27 N 0.57 -6.55 -4.93 1.20 1.74 -0.32 -4.98 116.66 103.39 1wr4 n ARG 27 Ca 0.15 0.70 -0.32 0.00 -0.77 0.00 0.00 57.85 57.61 1wr4 n ARG 27 Cb 0.48 -5.65 -0.14 0.00 -1.02 0.00 0.00 32.46 26.13 1wr4 n ARG 27 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1wr4 s THR 28 N -3.33 2.65 -0.25 0.55 2.01 -0.69 -4.96 115.64 111.63 1wr4 s THR 28 Ca 0.59 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 61.60 1wr4 s THR 28 Cb -0.28 -2.04 0.06 0.00 0.01 0.00 0.00 72.50 70.26 1wr4 s THR 28 CO 0.79 0.50 -0.07 0.42 -0.69 0.00 0.00 174.62 175.56 1wr4 s THR 29 N -0.76 1.79 0.10 -0.82 -4.23 -1.26 0.09 115.64 110.55 1wr4 s THR 29 Ca 0.12 -1.40 0.07 0.00 -1.18 0.00 0.00 61.69 59.29 1wr4 s THR 29 Cb -0.10 -2.00 -0.03 0.00 1.34 0.00 0.00 72.50 71.70 1wr4 s THR 29 CO 0.02 -0.09 -0.17 0.28 -0.54 0.00 0.00 174.62 174.12 1wr4 s THR 30 N 1.27 1.47 -1.25 3.99 -1.32 -0.02 -5.00 115.64 114.78 1wr4 s THR 30 Ca -0.07 -1.54 0.18 0.00 -1.21 0.00 0.00 61.69 59.05 1wr4 s THR 30 Cb -0.19 -1.43 0.61 0.00 -1.51 0.00 0.00 72.50 69.97 1wr4 s THR 30 CO -0.06 -0.21 1.52 0.79 -2.21 0.00 0.00 174.62 174.46 1wr4 n TRP 31 N 0.95 1.11 -4.19 9.09 7.02 -1.26 0.10 117.44 130.26 1wr4 n TRP 31 Ca -0.19 -0.58 -0.23 0.00 -1.02 0.00 0.00 57.50 55.48 1wr4 n TRP 31 Cb 0.55 -0.14 -0.06 0.00 -2.42 0.00 0.00 31.31 29.24 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 -1.53 3.97 -0.32 -0.99 -1.32 -1.26 -4.89 115.64 109.31 1wr4 s THR 32 Ca 0.45 -1.57 -0.25 0.00 -1.21 0.00 0.00 61.69 59.11 1wr4 s THR 32 Cb 0.27 -3.11 0.01 0.00 -1.51 0.00 0.00 72.50 68.16 1wr4 s THR 32 CO 0.24 -0.30 0.85 -0.60 -2.21 0.00 0.00 174.62 172.60 1wr4 s ARG 33 N -3.58 3.96 0.02 7.08 6.06 -1.26 -4.75 118.95 126.48 1wr4 s ARG 33 Ca 0.31 0.67 -0.27 0.00 -2.50 0.00 0.00 55.73 53.93 1wr4 s ARG 33 Cb -0.08 -3.74 -0.04 0.00 0.06 0.00 0.00 34.95 31.15 1wr4 s ARG 33 CO 0.22 -0.75 0.87 -1.25 -2.50 0.00 0.00 175.30 171.89 1wr4 s PRO 34 N 3.13 4.55 -0.08 5.12 0.04 -1.26 -4.94 135.00 141.56 1wr4 s PRO 34 Ca 0.35 1.23 0.11 0.00 0.04 0.00 0.00 61.00 62.73 1wr4 s PRO 34 Cb -0.14 -3.41 0.23 0.00 0.04 0.00 0.00 34.50 31.23 1wr4 s PRO 34 CO 0.14 0.12 1.16 0.44 0.04 0.00 0.00 177.00 178.89 1wr4 n ILE 35 N 3.33 1.54 -1.79 0.56 -0.00 -1.26 -4.72 119.36 117.02 1wr4 n ILE 35 Ca 0.02 -1.62 0.00 0.00 -0.00 0.00 0.00 62.75 61.15 1wr4 n ILE 35 Cb 0.50 0.10 0.00 0.00 -0.00 0.00 0.00 39.64 40.25 1wr4 n ILE 35 CO 0.00 0.00 0.00 0.80 -0.00 0.00 0.00 176.55 177.35