#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 -0.12 -4.38 1.61 0.02 -2.06 -3.44 113.55 105.18 1wr4 h SER 2 Ca 0.00 -0.42 -0.51 0.00 -0.84 0.00 0.00 61.79 60.02 1wr4 h SER 2 Cb 0.00 0.03 0.07 0.00 0.14 0.00 0.00 62.40 62.65 1wr4 h SER 2 CO 0.00 0.41 0.40 -2.84 -1.14 0.00 0.00 176.83 173.66 1wr4 s PRO 3 N -3.83 3.22 0.39 3.45 0.02 -1.26 -5.09 135.00 131.89 1wr4 s PRO 3 Ca -0.15 0.72 0.08 0.00 0.02 0.00 0.00 61.00 61.67 1wr4 s PRO 3 Cb 0.01 -2.04 -0.05 0.00 0.02 0.00 0.00 34.50 32.44 1wr4 s PRO 3 CO 0.58 -0.84 0.18 0.20 -0.33 0.00 0.00 177.00 176.79 1wr4 s GLY 4 N -4.13 2.17 0.13 0.52 0.00 -1.26 -5.14 107.32 99.62 1wr4 s GLY 4 Ca 0.57 -1.99 0.08 0.00 0.00 0.00 0.00 44.72 43.38 1wr4 s GLY 4 CO 0.54 -1.84 -0.13 1.08 0.00 0.00 0.00 173.10 172.75 1wr4 s LEU 5 N -3.90 2.88 0.44 0.66 1.43 -1.26 -4.94 118.68 114.00 1wr4 s LEU 5 Ca 0.40 -0.52 -0.24 0.00 -1.03 0.00 0.00 54.13 52.75 1wr4 s LEU 5 Cb 0.01 -1.66 -0.10 0.00 0.03 0.00 0.00 46.19 44.47 1wr4 s LEU 5 CO 0.23 0.15 1.04 -2.65 0.23 0.00 0.00 176.35 175.36 1wr4 n PRO 6 N 0.52 1.38 -1.55 1.29 -0.02 -1.26 -4.80 135.00 130.56 1wr4 n PRO 6 Ca -0.13 0.50 -0.19 0.00 -2.02 0.00 0.00 63.50 61.65 1wr4 n PRO 6 Cb 0.53 -2.11 -0.07 0.00 -0.02 0.00 0.00 33.50 31.83 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 0.29 1.66 0.00 2.55 7.64 -1.26 -0.16 113.62 124.34 1wr4 n SER 7 Ca 0.09 -1.18 0.00 0.00 1.01 0.00 0.00 58.87 58.79 1wr4 n SER 7 Cb 0.40 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.05 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 6.54 1.17 3.73 0.23 0.00 -1.26 -5.02 105.19 110.58 1wr4 n GLY 8 Ca 0.47 0.00 -0.38 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 3.55 -0.17 1.61 0.52 0.78 -0.09 118.94 125.14 1wr4 s TRP 9 Ca 0.00 0.99 0.01 0.00 0.02 0.00 0.00 56.10 57.12 1wr4 s TRP 9 Cb 0.00 -2.59 0.03 0.00 -1.15 0.00 0.00 33.47 29.76 1wr4 s TRP 9 CO 0.00 0.20 -0.13 -2.00 0.02 0.00 0.00 176.95 175.04 1wr4 s GLU 10 N 0.47 2.22 -0.63 4.98 2.12 0.01 -4.65 118.70 123.22 1wr4 s GLU 10 Ca 0.28 -0.72 -0.27 0.00 0.36 0.00 0.00 54.97 54.63 1wr4 s GLU 10 Cb -0.16 -2.29 0.04 0.00 0.26 0.00 0.00 34.13 31.98 1wr4 s GLU 10 CO 0.13 -0.33 1.16 -1.83 -0.54 0.00 0.00 175.26 173.85 1wr4 s GLU 11 N 1.43 3.34 0.49 4.30 -1.05 -1.26 -0.17 118.70 125.78 1wr4 s GLU 11 Ca 0.02 -0.09 0.07 0.00 -0.15 0.00 0.00 54.97 54.82 1wr4 s GLU 11 Cb -0.14 -4.09 0.02 0.00 -0.44 0.00 0.00 34.13 29.47 1wr4 s GLU 11 CO -0.10 -1.81 0.42 1.03 0.95 0.00 0.00 175.26 175.75 1wr4 s ARG 12 N 4.96 2.36 -0.12 -4.83 0.52 0.78 -4.88 118.95 117.74 1wr4 s ARG 12 Ca 0.36 -1.79 0.03 0.00 -0.52 0.00 0.00 55.73 53.81 1wr4 s ARG 12 Cb -0.09 -2.25 -0.00 0.00 0.52 0.00 0.00 34.95 33.12 1wr4 s ARG 12 CO 0.20 -0.46 -0.21 0.15 0.02 0.00 0.00 175.30 174.99 1wr4 s LYS 13 N -4.24 3.10 0.00 3.54 1.02 -1.26 -0.59 119.74 121.31 1wr4 s LYS 13 Ca 0.43 -0.84 0.23 0.00 0.02 0.00 0.00 55.97 55.81 1wr4 s LYS 13 Cb -0.03 -2.39 0.11 0.00 -0.52 0.00 0.00 37.83 35.00 1wr4 s LYS 13 CO 0.26 0.14 1.18 -3.47 -0.92 0.00 0.00 175.35 172.53 1wr4 n ASP 14 N 3.66 2.34 0.00 2.83 2.03 0.39 -4.99 116.55 122.81 1wr4 n ASP 14 Ca -0.19 -1.67 0.00 0.00 0.52 0.00 0.00 54.79 53.45 1wr4 n ASP 14 Cb 0.53 0.29 0.00 0.00 -0.72 0.00 0.00 41.12 41.21 1wr4 n ASP 14 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wr4 n ALA 15 N 0.46 0.00 -0.00 -1.67 0.00 -1.24 -4.95 120.51 113.11 1wr4 n ALA 15 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.46 1wr4 n ALA 15 Cb 0.51 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.01 1wr4 n ALA 15 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wr4 n LYS 16 N 0.00 1.45 0.00 0.00 5.02 -1.26 -4.10 118.16 119.27 1wr4 n LYS 16 Ca 0.00 -1.01 0.00 0.00 -2.02 0.00 0.00 58.31 55.28 1wr4 n LYS 16 Cb 0.00 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 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 0.15 0.01 3.56 0.72 0.00 -1.26 -5.09 105.19 103.28 1wr4 n GLY 17 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 3.22 -0.08 1.61 3.52 -1.26 -4.99 118.95 120.97 1wr4 s ARG 18 Ca 0.00 -0.06 -0.14 0.00 -0.13 0.00 0.00 55.73 55.40 1wr4 s ARG 18 Cb 0.00 -4.16 -0.05 0.00 -1.56 0.00 0.00 34.95 29.18 1wr4 s ARG 18 CO 0.00 -2.09 0.36 0.99 -0.81 0.00 0.00 175.30 173.75 1wr4 s THR 19 N 5.82 5.19 0.09 4.11 2.01 -1.26 -0.46 115.64 131.13 1wr4 s THR 19 Ca 0.39 0.71 0.03 0.00 0.31 0.00 0.00 61.69 63.14 1wr4 s THR 19 Cb -0.08 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 1wr4 s THR 19 CO 0.18 0.47 -0.09 -0.72 -0.69 0.00 0.00 174.62 173.78 1wr4 s TYR 20 N -0.25 0.94 -0.32 4.92 1.13 0.25 -4.91 117.35 119.11 1wr4 s TYR 20 Ca 0.21 -0.71 -0.08 0.00 -1.41 0.00 0.00 57.07 55.08 1wr4 s TYR 20 Cb -0.15 -0.53 0.01 0.00 -1.10 0.00 0.00 41.96 40.19 1wr4 s TYR 20 CO 0.09 -0.06 0.13 0.71 -2.51 0.00 0.00 175.55 173.91 1wr4 s TYR 21 N -2.63 3.19 -0.33 -3.49 2.02 0.18 -0.16 117.35 116.12 1wr4 s TYR 21 Ca 0.05 -0.89 -0.07 0.00 -0.37 0.00 0.00 57.07 55.79 1wr4 s TYR 21 Cb -0.02 -2.32 0.03 0.00 -0.40 0.00 0.00 41.96 39.25 1wr4 s TYR 21 CO -0.01 -0.57 0.11 0.54 -1.57 0.00 0.00 175.55 174.05 1wr4 s VAL 22 N 1.54 3.94 -0.20 0.71 0.11 0.76 -0.58 120.40 126.67 1wr4 s VAL 22 Ca 0.03 -0.99 -0.27 0.00 -2.93 0.00 0.00 61.98 57.82 1wr4 s VAL 22 Cb -0.18 -3.18 -0.00 0.00 -1.53 0.00 0.00 36.38 31.49 1wr4 s VAL 22 CO 0.04 -0.12 0.94 0.21 -3.33 0.00 0.00 175.10 172.84 1wr4 s ASN 23 N 1.45 7.03 0.27 3.54 3.84 0.99 -0.81 114.94 131.24 1wr4 s ASN 23 Ca -0.00 1.28 0.24 0.00 0.21 0.00 0.00 52.86 54.58 1wr4 s ASN 23 Cb -0.19 -2.50 0.35 0.00 -0.55 0.00 0.00 41.25 38.37 1wr4 s ASN 23 CO 0.03 -0.53 1.45 0.45 -2.79 0.00 0.00 177.10 175.71 1wr4 h HIS 24 N 7.42 0.00 0.05 0.43 3.86 -0.80 -0.61 115.15 125.49 1wr4 h HIS 24 Ca -0.24 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.60 1wr4 h HIS 24 Cb 1.10 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.52 1wr4 h HIS 24 CO 0.74 0.00 -2.21 0.27 0.86 0.00 0.00 177.93 177.59 1wr4 n ASN 25 N -2.62 1.67 -0.47 2.45 0.23 -1.26 -4.19 115.26 111.07 1wr4 n ASN 25 Ca 0.03 0.07 0.13 0.00 -0.53 0.00 0.00 54.58 54.28 1wr4 n ASN 25 Cb 0.50 -0.37 0.29 0.00 -2.08 0.00 0.00 39.78 38.12 1wr4 n ASN 25 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1wr4 n ASN 26 N -3.26 1.67 -3.70 0.53 5.15 -1.25 -4.96 115.26 109.44 1wr4 n ASN 26 Ca -0.36 -1.36 -0.23 0.00 -0.60 0.00 0.00 54.58 52.02 1wr4 n ASN 26 Cb 1.04 0.15 0.05 0.00 -0.53 0.00 0.00 39.78 40.49 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 0.02 -5.79 -4.79 1.20 1.74 -0.30 -4.98 116.66 103.76 1wr4 n ARG 27 Ca 0.14 0.68 -0.33 0.00 -0.77 0.00 0.00 57.85 57.57 1wr4 n ARG 27 Cb 0.41 -5.47 -0.14 0.00 -1.02 0.00 0.00 32.46 26.24 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 -3.47 3.06 -0.51 0.55 2.01 -0.82 -4.95 115.64 111.52 1wr4 s THR 28 Ca 0.27 -0.67 -0.04 0.00 0.31 0.00 0.00 61.69 61.55 1wr4 s THR 28 Cb -0.13 -2.27 0.13 0.00 0.01 0.00 0.00 72.50 70.24 1wr4 s THR 28 CO 0.79 0.54 0.33 0.42 -0.69 0.00 0.00 174.62 176.01 1wr4 s THR 29 N 0.17 3.68 0.05 -0.82 -4.23 -1.26 -0.01 115.64 113.21 1wr4 s THR 29 Ca -0.07 -2.34 0.07 0.00 -1.18 0.00 0.00 61.69 58.17 1wr4 s THR 29 Cb -0.15 -3.45 -0.03 0.00 1.34 0.00 0.00 72.50 70.21 1wr4 s THR 29 CO 0.05 -0.78 -0.19 0.28 -0.54 0.00 0.00 174.62 173.44 1wr4 s THR 30 N 0.72 2.74 -2.21 3.99 -1.32 0.25 -4.97 115.64 114.85 1wr4 s THR 30 Ca 0.11 -1.22 0.23 0.00 -1.21 0.00 0.00 61.69 59.60 1wr4 s THR 30 Cb -0.22 -2.16 0.56 0.00 -1.51 0.00 0.00 72.50 69.17 1wr4 s THR 30 CO -0.03 0.32 1.49 0.79 -2.21 0.00 0.00 174.62 174.98 1wr4 n TRP 31 N 1.52 0.78 -3.74 9.09 7.02 -1.26 0.51 117.44 131.36 1wr4 n TRP 31 Ca -0.16 -0.39 -0.35 0.00 -1.02 0.00 0.00 57.50 55.58 1wr4 n TRP 31 Cb 0.52 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.36 1wr4 n TRP 31 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1wr4 s THR 32 N -1.22 5.28 -0.08 -0.99 2.01 -1.26 -4.90 115.64 114.49 1wr4 s THR 32 Ca 0.45 0.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.36 1wr4 s THR 32 Cb 0.25 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 69.13 1wr4 s THR 32 CO 0.33 0.36 1.61 -0.13 -0.69 0.00 0.00 174.62 176.10 1wr4 s ARG 33 N -1.76 4.15 -0.97 4.92 1.81 -1.26 -4.83 118.95 121.01 1wr4 s ARG 33 Ca 0.28 2.09 -0.16 0.00 -1.72 0.00 0.00 55.73 56.22 1wr4 s ARG 33 Cb -0.13 -3.97 -0.09 0.00 -0.45 0.00 0.00 34.95 30.30 1wr4 s ARG 33 CO 0.16 -0.87 2.08 -2.30 -0.68 0.00 0.00 175.30 173.69 1wr4 n PRO 34 N 7.13 2.00 0.00 3.54 -0.02 -1.26 -4.65 135.00 141.74 1wr4 n PRO 34 Ca 0.17 -1.89 0.00 0.00 -2.02 0.00 0.00 63.50 59.76 1wr4 n PRO 34 Cb 0.43 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 1wr4 n PRO 34 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1wr4 n ILE 35 N 5.25 0.00 -1.55 4.25 5.41 -1.26 -4.95 119.36 126.50 1wr4 n ILE 35 Ca 0.50 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.25 1wr4 n ILE 35 Cb 0.32 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.25 1wr4 n ILE 35 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35