#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 7.21 0.00 1.61 1.04 -1.26 -5.04 113.70 117.26 1wr4 s SER 2 Ca 0.00 1.49 0.00 0.00 0.48 0.00 0.00 55.95 57.92 1wr4 s SER 2 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1wr4 s SER 2 CO 0.00 -0.48 0.00 -0.81 0.98 0.00 0.00 173.24 172.93 1wr4 n PRO 3 N 5.20 3.76 0.00 4.02 -0.05 -1.26 -4.90 135.00 141.77 1wr4 n PRO 3 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.54 1wr4 n PRO 3 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.93 1wr4 n PRO 3 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1wr4 n GLY 4 N 5.00 1.13 3.85 0.55 0.00 -1.26 -5.09 105.19 109.38 1wr4 n GLY 4 Ca 0.00 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 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 3.88 0.95 0.99 1.43 -1.26 -5.06 118.68 119.61 1wr4 s LEU 5 Ca 0.00 1.32 -0.12 0.00 -1.03 0.00 0.00 54.13 54.30 1wr4 s LEU 5 Cb 0.00 -4.18 0.07 0.00 0.03 0.00 0.00 46.19 42.11 1wr4 s LEU 5 CO 0.00 -0.37 0.61 -2.65 0.23 0.00 0.00 176.35 174.17 1wr4 n PRO 6 N -0.99 -0.42 -1.69 1.29 -0.02 -1.26 -4.78 135.00 127.13 1wr4 n PRO 6 Ca 0.04 -0.08 -0.17 0.00 -2.02 0.00 0.00 63.50 61.28 1wr4 n PRO 6 Cb 0.54 -2.00 -0.07 0.00 -0.02 0.00 0.00 33.50 31.94 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 -2.19 4.12 0.00 2.55 0.01 -1.26 -1.32 113.70 115.61 1wr4 s SER 7 Ca 0.60 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.58 1wr4 s SER 7 Cb -0.21 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.46 1wr4 s SER 7 CO 0.65 -3.74 0.00 0.61 0.41 0.00 0.00 173.24 171.17 1wr4 n GLY 8 N 6.71 0.49 3.85 3.44 0.00 -1.26 -5.09 105.19 113.34 1wr4 n GLY 8 Ca 0.45 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.27 3.67 -0.00 1.61 0.52 -0.44 -3.55 118.94 120.48 1wr4 s TRP 9 Ca 0.00 0.82 0.03 0.00 0.02 0.00 0.00 56.10 56.97 1wr4 s TRP 9 Cb 0.00 -2.16 -0.01 0.00 -1.15 0.00 0.00 33.47 30.15 1wr4 s TRP 9 CO 0.00 0.66 -0.11 -2.00 0.02 0.00 0.00 176.95 175.52 1wr4 s GLU 10 N -1.16 0.87 -0.02 4.98 2.12 -0.61 -4.78 118.70 120.10 1wr4 s GLU 10 Ca 0.22 -0.42 -0.15 0.00 0.36 0.00 0.00 54.97 54.98 1wr4 s GLU 10 Cb -0.15 -0.84 -0.05 0.00 0.26 0.00 0.00 34.13 33.34 1wr4 s GLU 10 CO 0.11 0.23 0.41 -1.83 -0.54 0.00 0.00 175.26 173.64 1wr4 s GLU 11 N -0.34 4.00 0.36 4.30 -1.05 -1.26 0.73 118.70 125.44 1wr4 s GLU 11 Ca 0.04 0.40 0.04 0.00 -0.15 0.00 0.00 54.97 55.30 1wr4 s GLU 11 Cb -0.05 -3.26 -0.03 0.00 -0.44 0.00 0.00 34.13 30.35 1wr4 s GLU 11 CO -0.00 0.59 0.14 1.03 0.95 0.00 0.00 175.26 177.97 1wr4 s ARG 12 N -0.75 1.77 0.18 -4.83 0.52 0.42 -4.92 118.95 111.33 1wr4 s ARG 12 Ca 0.24 -2.04 0.05 0.00 -0.52 0.00 0.00 55.73 53.45 1wr4 s ARG 12 Cb -0.16 -0.42 -0.05 0.00 0.52 0.00 0.00 34.95 34.84 1wr4 s ARG 12 CO 0.12 -0.44 -0.10 0.15 0.02 0.00 0.00 175.30 175.05 1wr4 s LYS 13 N -3.76 1.18 0.00 3.54 3.01 -1.26 -0.91 119.74 121.54 1wr4 s LYS 13 Ca 0.30 -1.53 0.15 0.00 -1.01 0.00 0.00 55.97 53.89 1wr4 s LYS 13 Cb 0.04 -0.76 0.47 0.00 -1.01 0.00 0.00 37.83 36.57 1wr4 s LYS 13 CO 0.16 0.08 1.37 -0.40 0.51 0.00 0.00 175.35 177.08 1wr4 n ASP 14 N -0.28 2.15 0.00 2.83 5.75 -0.33 -4.90 116.55 121.76 1wr4 n ASP 14 Ca -0.09 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 1wr4 n ASP 14 Cb 0.61 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 1wr4 n ASP 14 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wr4 n ALA 15 N 0.66 0.00 -0.02 2.12 0.00 -1.26 -4.75 120.51 117.26 1wr4 n ALA 15 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.57 1wr4 n ALA 15 Cb 0.36 -0.52 -0.02 0.00 0.00 0.00 0.00 19.45 19.27 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 -1.62 2.50 0.00 0.00 5.02 -1.26 -5.02 118.16 117.78 1wr4 n LYS 16 Ca 0.00 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1wr4 n LYS 16 Cb 0.15 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 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 2.95 -0.74 3.69 0.72 0.00 -1.26 -5.13 105.19 105.41 1wr4 n GLY 17 Ca -0.06 0.00 -0.36 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 4.13 -0.26 1.61 6.06 -1.26 -4.96 118.95 124.27 1wr4 s ARG 18 Ca 0.00 -0.17 -0.09 0.00 -2.50 0.00 0.00 55.73 52.97 1wr4 s ARG 18 Cb 0.00 -3.50 -0.04 0.00 0.06 0.00 0.00 34.95 31.47 1wr4 s ARG 18 CO 0.00 0.13 0.13 0.99 -2.50 0.00 0.00 175.30 174.05 1wr4 s THR 19 N 0.86 4.85 0.33 4.11 2.01 -1.26 -1.19 115.64 125.35 1wr4 s THR 19 Ca 0.10 0.01 0.09 0.00 0.31 0.00 0.00 61.69 62.20 1wr4 s THR 19 Cb -0.13 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 1wr4 s THR 19 CO 0.03 0.31 0.01 -0.72 -0.69 0.00 0.00 174.62 173.56 1wr4 s TYR 20 N 1.57 2.55 -0.18 4.92 1.13 -0.09 -4.94 117.35 122.31 1wr4 s TYR 20 Ca 0.06 -0.42 -0.04 0.00 -1.41 0.00 0.00 57.07 55.27 1wr4 s TYR 20 Cb -0.15 -1.46 -0.02 0.00 -1.10 0.00 0.00 41.96 39.22 1wr4 s TYR 20 CO 0.07 0.49 -0.04 0.71 -2.51 0.00 0.00 175.55 174.26 1wr4 s TYR 21 N -2.51 2.98 -0.23 -3.49 2.02 0.40 -0.44 117.35 116.09 1wr4 s TYR 21 Ca 0.35 -0.53 0.01 0.00 -0.37 0.00 0.00 57.07 56.52 1wr4 s TYR 21 Cb -0.01 -2.01 0.04 0.00 -0.40 0.00 0.00 41.96 39.58 1wr4 s TYR 21 CO 0.19 -0.23 -0.14 0.54 -1.57 0.00 0.00 175.55 174.35 1wr4 s VAL 22 N 0.79 2.28 -0.48 0.71 0.11 0.22 -0.21 120.40 123.82 1wr4 s VAL 22 Ca -0.01 -1.22 -0.21 0.00 -2.93 0.00 0.00 61.98 57.60 1wr4 s VAL 22 Cb -0.15 -2.15 0.04 0.00 -1.53 0.00 0.00 36.38 32.59 1wr4 s VAL 22 CO 0.02 0.25 0.70 0.21 -3.33 0.00 0.00 175.10 172.95 1wr4 s ASN 23 N 1.23 6.30 0.00 3.54 3.84 0.14 -1.58 114.94 128.41 1wr4 s ASN 23 Ca -0.01 -0.49 0.28 0.00 0.21 0.00 0.00 52.86 52.85 1wr4 s ASN 23 Cb -0.16 -2.34 1.44 0.00 -0.55 0.00 0.00 41.25 39.64 1wr4 s ASN 23 CO -0.08 -0.90 1.98 1.41 -2.79 0.00 0.00 177.10 176.72 1wr4 n HIS 24 N 6.48 0.00 -0.09 0.43 8.25 -1.23 -0.34 115.22 128.72 1wr4 n HIS 24 Ca -0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.35 1wr4 n HIS 24 Cb 0.47 -0.27 -0.16 0.00 1.12 0.00 0.00 29.99 31.15 1wr4 n HIS 24 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1wr4 n ASN 25 N -1.27 0.07 -0.36 0.41 3.02 -1.26 -4.34 115.26 111.52 1wr4 n ASN 25 Ca 0.14 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.76 1wr4 n ASN 25 Cb 0.22 1.05 0.01 0.00 -0.61 0.00 0.00 39.78 40.45 1wr4 n ASN 25 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1wr4 n ASN 26 N -2.71 1.60 -3.45 6.41 4.05 -1.17 -5.01 115.26 114.97 1wr4 n ASN 26 Ca -0.31 -1.30 -0.19 0.00 0.45 0.00 0.00 54.58 53.23 1wr4 n ASN 26 Cb 1.12 0.39 0.07 0.00 1.23 0.00 0.00 39.78 42.58 1wr4 n ASN 26 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 1wr4 n ARG 27 N -0.00 -4.31 -4.70 1.20 0.00 0.54 -5.02 116.66 104.37 1wr4 n ARG 27 Ca 0.06 0.77 -0.26 0.00 -0.00 0.00 0.00 57.85 58.42 1wr4 n ARG 27 Cb 0.30 -5.54 -0.17 0.00 0.00 0.00 0.00 32.46 27.06 1wr4 n ARG 27 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1wr4 s THR 28 N -3.45 1.29 -0.35 5.15 -4.23 -0.86 -4.97 115.64 108.22 1wr4 s THR 28 Ca 0.19 -0.58 0.02 0.00 -1.18 0.00 0.00 61.69 60.15 1wr4 s THR 28 Cb -0.04 -1.16 0.10 0.00 1.34 0.00 0.00 72.50 72.74 1wr4 s THR 28 CO 0.76 0.39 0.08 -0.89 -0.54 0.00 0.00 174.62 174.42 1wr4 s THR 29 N 0.59 2.58 0.09 3.99 2.01 -1.26 0.27 115.64 123.91 1wr4 s THR 29 Ca -0.15 -2.19 0.08 0.00 0.31 0.00 0.00 61.69 59.75 1wr4 s THR 29 Cb -0.16 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 1wr4 s THR 29 CO 0.05 -0.57 -0.18 0.28 -0.69 0.00 0.00 174.62 173.51 1wr4 s THR 30 N 0.99 2.85 -1.15 -0.82 -1.32 0.70 -4.95 115.64 111.95 1wr4 s THR 30 Ca 0.08 -1.39 0.18 0.00 -1.21 0.00 0.00 61.69 59.36 1wr4 s THR 30 Cb -0.20 -2.27 0.73 0.00 -1.51 0.00 0.00 72.50 69.24 1wr4 s THR 30 CO -0.07 0.18 1.63 0.79 -2.21 0.00 0.00 174.62 174.94 1wr4 n TRP 31 N 1.04 1.50 -4.07 9.09 7.02 -1.26 -0.46 117.44 130.30 1wr4 n TRP 31 Ca -0.16 -0.60 -0.27 0.00 -1.02 0.00 0.00 57.50 55.45 1wr4 n TRP 31 Cb 0.52 -0.25 -0.06 0.00 -2.42 0.00 0.00 31.31 29.11 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 -1.86 4.49 -0.32 -0.99 -1.32 -1.26 -4.98 115.64 109.41 1wr4 s THR 32 Ca 0.51 -1.00 -0.24 0.00 -1.21 0.00 0.00 61.69 59.75 1wr4 s THR 32 Cb 0.33 -3.26 0.00 0.00 -1.51 0.00 0.00 72.50 68.06 1wr4 s THR 32 CO 0.25 -0.05 0.82 -0.13 -2.21 0.00 0.00 174.62 173.30 1wr4 s ARG 33 N -2.91 3.95 -0.97 7.08 3.00 -1.26 -4.79 118.95 123.05 1wr4 s ARG 33 Ca 0.30 0.61 -0.24 0.00 0.00 0.00 0.00 55.73 56.41 1wr4 s ARG 33 Cb -0.11 -3.74 -0.06 0.00 0.00 0.00 0.00 34.95 31.05 1wr4 s ARG 33 CO 0.23 -0.73 1.95 -2.14 0.00 0.00 0.00 175.30 174.61 1wr4 s PRO 34 N 3.06 2.53 0.00 3.54 0.02 -1.26 -4.71 135.00 138.18 1wr4 s PRO 34 Ca 0.34 -0.50 0.12 0.00 0.02 0.00 0.00 61.00 60.98 1wr4 s PRO 34 Cb -0.14 -5.11 0.57 0.00 0.02 0.00 0.00 34.50 29.85 1wr4 s PRO 34 CO 0.13 -3.53 1.39 -0.89 -0.33 0.00 0.00 177.00 173.77 1wr4 n ILE 35 N 7.87 0.13 -1.35 2.83 -0.00 -1.26 -4.77 119.36 122.81 1wr4 n ILE 35 Ca 0.41 -0.16 0.00 0.00 -0.00 0.00 0.00 62.75 63.00 1wr4 n ILE 35 Cb 0.47 0.03 0.00 0.00 -0.00 0.00 0.00 39.64 40.14 1wr4 n ILE 35 CO 0.00 0.00 0.00 0.80 -0.00 0.00 0.00 176.55 177.35