#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr4 h SER 2 N 0.00 -0.64 0.51 1.61 0.02 -2.10 -2.09 113.55 110.86 1wr4 h SER 2 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1wr4 h SER 2 Cb 0.00 0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1wr4 h SER 2 CO 0.00 -0.40 0.00 1.55 -1.14 0.00 0.00 176.83 176.84 1wr4 h PRO 3 N -0.63 0.00 0.00 3.45 0.13 -2.05 -3.46 132.00 129.44 1wr4 h PRO 3 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1wr4 h PRO 3 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1wr4 h PRO 3 CO 0.04 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.22 1wr4 n GLY 4 N -0.52 1.85 3.25 1.56 0.00 -0.79 -4.75 105.19 105.79 1wr4 n GLY 4 Ca -0.01 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 1.36 0.00 0.99 1.43 -1.26 -4.69 118.68 116.51 1wr4 s LEU 5 Ca 0.00 -1.53 0.00 0.00 -1.03 0.00 0.00 54.13 51.57 1wr4 s LEU 5 Cb 0.00 0.51 0.00 0.00 0.03 0.00 0.00 46.19 46.73 1wr4 s LEU 5 CO 0.00 -0.95 0.10 -2.65 0.23 0.00 0.00 176.35 173.08 1wr4 n PRO 6 N -0.42 0.00 0.00 1.29 -0.02 -1.26 -4.75 135.00 129.84 1wr4 n PRO 6 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1wr4 n PRO 6 Cb 0.64 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 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 2.13 0.00 0.25 2.55 7.64 -1.26 -3.98 113.62 120.94 1wr4 n SER 7 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.03 1wr4 n SER 7 Cb 0.00 0.00 0.51 0.00 -1.01 0.00 0.00 64.21 63.71 1wr4 n SER 7 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1wr4 h GLY 8 N 0.00 0.00 -4.61 0.23 0.00 -1.97 -3.43 103.07 93.29 1wr4 h GLY 8 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1wr4 h GLY 8 CO 0.00 0.00 0.04 -0.98 0.00 0.00 0.00 176.54 175.60 1wr4 s TRP 9 N -3.50 3.78 -0.11 5.60 0.52 -1.26 -0.74 118.94 123.24 1wr4 s TRP 9 Ca 0.03 1.35 0.00 0.00 0.02 0.00 0.00 56.10 57.50 1wr4 s TRP 9 Cb 0.08 -2.62 0.02 0.00 -1.15 0.00 0.00 33.47 29.80 1wr4 s TRP 9 CO 0.58 0.46 -0.10 -2.00 0.02 0.00 0.00 176.95 175.91 1wr4 s GLU 10 N -0.71 1.74 -0.29 4.98 2.12 -0.18 -4.56 118.70 121.80 1wr4 s GLU 10 Ca 0.32 -0.36 -0.27 0.00 0.36 0.00 0.00 54.97 55.03 1wr4 s GLU 10 Cb -0.20 -1.66 0.01 0.00 0.26 0.00 0.00 34.13 32.54 1wr4 s GLU 10 CO 0.20 -0.19 0.95 -1.83 -0.54 0.00 0.00 175.26 173.85 1wr4 s GLU 11 N 1.41 4.09 0.33 4.30 -1.05 -1.26 -0.17 118.70 126.35 1wr4 s GLU 11 Ca 0.00 0.97 0.01 0.00 -0.15 0.00 0.00 54.97 55.80 1wr4 s GLU 11 Cb -0.13 -3.70 -0.00 0.00 -0.44 0.00 0.00 34.13 29.85 1wr4 s GLU 11 CO -0.06 -0.72 0.03 0.54 0.95 0.00 0.00 175.26 175.99 1wr4 n ARG 12 N 6.44 1.05 -4.32 -4.83 1.74 0.96 -4.94 116.66 112.76 1wr4 n ARG 12 Ca 0.09 -2.46 -0.19 0.00 -0.77 0.00 0.00 57.85 54.52 1wr4 n ARG 12 Cb 0.47 0.83 -0.15 0.00 -1.02 0.00 0.00 32.46 32.59 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 -3.19 0.75 0.62 5.56 3.01 -1.26 -0.53 119.74 124.70 1wr4 s LYS 13 Ca 0.04 -0.27 -0.11 0.00 -1.01 0.00 0.00 55.97 54.62 1wr4 s LYS 13 Cb 0.00 -0.72 0.15 0.00 -1.01 0.00 0.00 37.83 36.25 1wr4 s LYS 13 CO 0.03 0.13 0.77 -0.40 0.51 0.00 0.00 175.35 176.39 1wr4 n ASP 14 N 3.11 -0.31 0.25 2.83 5.75 -0.16 -4.83 116.55 123.20 1wr4 n ASP 14 Ca -0.16 -1.21 0.09 0.00 -0.01 0.00 0.00 54.79 53.50 1wr4 n ASP 14 Cb 0.56 -0.61 0.64 0.00 -1.03 0.00 0.00 41.12 40.68 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 1.71 0.00 2.12 0.00 -2.02 -1.37 119.26 117.70 1wr4 h ALA 15 Ca -0.26 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.40 1wr4 h ALA 15 Cb 0.72 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1wr4 h ALA 15 CO 0.18 0.11 -0.91 0.87 0.00 0.00 0.00 179.25 179.49 1wr4 h LYS 16 N 0.00 0.00 0.00 0.00 1.79 -2.05 -3.48 116.57 112.83 1wr4 h LYS 16 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wr4 h LYS 16 Cb 0.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1wr4 h LYS 16 CO 0.01 0.65 0.00 0.41 -1.08 0.00 0.00 179.45 179.44 1wr4 n GLY 17 N 1.32 1.44 3.79 3.86 0.00 -0.52 -5.11 105.19 109.99 1wr4 n GLY 17 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.22 4.41 -0.10 1.61 3.52 -1.26 -4.69 118.95 122.21 1wr4 s ARG 18 Ca 0.00 1.02 -0.30 0.00 -0.13 0.00 0.00 55.73 56.32 1wr4 s ARG 18 Cb 0.00 -3.08 -0.01 0.00 -1.56 0.00 0.00 34.95 30.29 1wr4 s ARG 18 CO 0.00 0.49 1.05 0.99 -0.81 0.00 0.00 175.30 177.02 1wr4 s THR 19 N -1.32 4.68 0.21 4.11 2.01 -1.26 -0.99 115.64 123.08 1wr4 s THR 19 Ca 0.39 1.95 0.07 0.00 0.31 0.00 0.00 61.69 64.41 1wr4 s THR 19 Cb -0.20 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.01 1wr4 s THR 19 CO 0.23 -0.01 -0.11 -0.72 -0.69 0.00 0.00 174.62 173.33 1wr4 s TYR 20 N 2.12 1.65 -0.30 4.92 1.13 0.31 -4.91 117.35 122.27 1wr4 s TYR 20 Ca 0.50 -0.66 -0.03 0.00 -1.41 0.00 0.00 57.07 55.46 1wr4 s TYR 20 Cb -0.19 -0.83 0.04 0.00 -1.10 0.00 0.00 41.96 39.88 1wr4 s TYR 20 CO 0.18 0.26 0.02 0.71 -2.51 0.00 0.00 175.55 174.21 1wr4 s TYR 21 N -3.08 3.22 -0.37 -3.49 2.02 0.49 -0.03 117.35 116.11 1wr4 s TYR 21 Ca 0.23 -1.62 -0.07 0.00 -0.37 0.00 0.00 57.07 55.23 1wr4 s TYR 21 Cb 0.01 -2.15 0.06 0.00 -0.40 0.00 0.00 41.96 39.47 1wr4 s TYR 21 CO 0.07 -0.75 0.17 0.54 -1.57 0.00 0.00 175.55 174.00 1wr4 s VAL 22 N 1.33 3.95 -0.41 0.71 0.11 0.76 -0.16 120.40 126.69 1wr4 s VAL 22 Ca -0.03 -1.26 -0.27 0.00 -2.93 0.00 0.00 61.98 57.49 1wr4 s VAL 22 Cb -0.19 -3.32 0.02 0.00 -1.53 0.00 0.00 36.38 31.36 1wr4 s VAL 22 CO -0.00 -0.32 1.02 0.21 -3.33 0.00 0.00 175.10 172.68 1wr4 s ASN 23 N 1.67 6.69 0.28 3.54 3.84 0.10 -1.01 114.94 130.06 1wr4 s ASN 23 Ca 0.01 0.57 0.24 0.00 0.21 0.00 0.00 52.86 53.89 1wr4 s ASN 23 Cb -0.21 -2.51 0.49 0.00 -0.55 0.00 0.00 41.25 38.47 1wr4 s ASN 23 CO 0.02 -1.02 1.58 0.45 -2.79 0.00 0.00 177.10 175.35 1wr4 h HIS 24 N 8.72 0.00 0.21 0.43 3.86 -1.22 0.13 115.15 127.29 1wr4 h HIS 24 Ca -0.23 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.67 1wr4 h HIS 24 Cb 1.07 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.57 1wr4 h HIS 24 CO 0.88 0.00 -1.41 -0.97 0.86 0.00 0.00 177.93 177.30 1wr4 h ASN 25 N 0.00 0.71 0.01 2.45 -0.73 -1.90 -3.33 115.58 112.80 1wr4 h ASN 25 Ca 0.00 -0.93 0.00 0.00 1.87 0.00 0.00 56.30 57.24 1wr4 h ASN 25 Cb 0.87 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 39.23 1wr4 h ASN 25 CO 0.00 1.66 -0.29 0.59 -0.37 0.00 0.00 177.43 179.02 1wr4 n ASN 26 N -3.79 2.11 -3.49 1.15 3.02 -1.23 -4.98 115.26 108.06 1wr4 n ASN 26 Ca -0.18 -1.56 -0.19 0.00 -0.03 0.00 0.00 54.58 52.62 1wr4 n ASN 26 Cb 1.03 0.28 0.07 0.00 -0.61 0.00 0.00 39.78 40.55 1wr4 n ASN 26 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1wr4 n ARG 27 N 0.26 -5.08 -4.93 3.52 5.12 0.28 -5.01 116.66 110.83 1wr4 n ARG 27 Ca 0.12 0.77 -0.28 0.00 -1.93 0.00 0.00 57.85 56.52 1wr4 n ARG 27 Cb 0.48 -5.58 -0.17 0.00 -1.16 0.00 0.00 32.46 26.04 1wr4 n ARG 27 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1wr4 s THR 28 N -3.46 1.61 -1.04 0.55 -4.23 -0.21 -4.98 115.64 103.89 1wr4 s THR 28 Ca 0.11 -0.78 -0.06 0.00 -1.18 0.00 0.00 61.69 59.78 1wr4 s THR 28 Cb -0.02 -1.40 0.26 0.00 1.34 0.00 0.00 72.50 72.68 1wr4 s THR 28 CO 0.76 0.46 1.05 0.35 -0.54 0.00 0.00 174.62 176.70 1wr4 n THR 29 N 3.43 4.13 -3.30 3.99 -2.24 -1.26 0.00 114.28 119.03 1wr4 n THR 29 Ca -0.20 -5.36 -0.38 0.00 -2.27 0.00 0.00 64.05 55.85 1wr4 n THR 29 Cb 0.52 -2.47 -0.06 0.00 -2.10 0.00 0.00 70.33 66.23 1wr4 n THR 29 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1wr4 s THR 30 N -1.50 5.17 -0.98 4.28 2.01 0.77 -4.92 115.64 120.48 1wr4 s THR 30 Ca 0.30 0.96 -0.01 0.00 0.31 0.00 0.00 61.69 63.26 1wr4 s THR 30 Cb -0.07 -3.83 0.33 0.00 0.01 0.00 0.00 72.50 68.94 1wr4 s THR 30 CO -0.08 0.30 1.78 0.79 -0.69 0.00 0.00 174.62 176.72 1wr4 n TRP 31 N 3.87 2.89 -3.59 4.92 7.02 -1.26 -0.38 117.44 130.91 1wr4 n TRP 31 Ca -0.07 -2.65 -0.11 0.00 -1.02 0.00 0.00 57.50 53.66 1wr4 n TRP 31 Cb 0.51 -1.14 -0.06 0.00 -2.42 0.00 0.00 31.31 28.21 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 -4.43 0.00 -0.20 -0.99 -1.32 -1.26 -5.01 115.64 102.44 1wr4 s THR 32 Ca 0.41 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.60 1wr4 s THR 32 Cb 0.22 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 70.18 1wr4 s THR 32 CO -0.16 0.00 1.75 -0.60 -2.21 0.00 0.00 174.62 173.40 1wr4 s ARG 33 N -0.70 3.72 0.65 7.08 6.06 -1.26 -4.72 118.95 129.79 1wr4 s ARG 33 Ca -0.01 1.81 -0.13 0.00 -2.50 0.00 0.00 55.73 54.89 1wr4 s ARG 33 Cb -0.02 -4.10 -0.01 0.00 0.06 0.00 0.00 34.95 30.88 1wr4 s ARG 33 CO 0.00 -1.39 1.06 -1.25 -2.50 0.00 0.00 175.30 171.23 1wr4 s PRO 34 N 4.93 3.05 0.03 5.12 0.04 -1.26 -4.97 135.00 141.93 1wr4 s PRO 34 Ca 0.78 1.12 0.22 0.00 0.04 0.00 0.00 61.00 63.15 1wr4 s PRO 34 Cb -0.28 -2.00 -0.23 0.00 0.04 0.00 0.00 34.50 32.03 1wr4 s PRO 34 CO 0.32 -1.02 0.63 -0.89 0.04 0.00 0.00 177.00 176.08 1wr4 n ILE 35 N -2.61 0.29 0.00 0.56 5.41 -1.26 -5.07 119.36 116.68 1wr4 n ILE 35 Ca 0.08 -0.54 0.00 0.00 1.00 0.00 0.00 62.75 63.29 1wr4 n ILE 35 Cb 0.53 -0.15 0.00 0.00 -0.71 0.00 0.00 39.64 39.31 1wr4 n ILE 35 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35