#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwv s SER 2 N 0.00 3.95 0.00 1.61 0.01 -1.26 -5.11 113.70 112.90 2dwv s SER 2 Ca 0.00 0.74 0.00 0.00 1.31 0.00 0.00 55.95 58.00 2dwv s SER 2 Cb 0.00 -1.17 0.00 0.00 0.21 0.00 0.00 66.02 65.06 2dwv s SER 2 CO 0.00 -2.25 0.00 -0.24 0.41 0.00 0.00 173.24 171.16 2dwv n SER 3 N -3.54 0.00 0.00 2.44 2.88 -1.26 -5.15 113.62 109.00 2dwv n SER 3 Ca 0.09 -0.75 0.00 0.00 -1.33 0.00 0.00 58.87 56.88 2dwv n SER 3 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 2dwv n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dwv n GLY 4 N 0.00 -1.50 3.39 0.46 0.00 -1.26 -5.09 105.19 101.19 2dwv n GLY 4 Ca 0.00 0.76 -0.45 0.00 0.00 0.00 0.00 46.02 46.32 2dwv n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dwv s SER 5 N 0.00 6.74 1.04 1.61 0.01 -1.26 -5.04 113.70 116.80 2dwv s SER 5 Ca 0.00 -2.45 -0.13 0.00 1.31 0.00 0.00 55.95 54.67 2dwv s SER 5 Cb 0.00 -2.30 0.21 0.00 0.21 0.00 0.00 66.02 64.14 2dwv s SER 5 CO 0.00 -0.79 1.10 -0.94 0.41 0.00 0.00 173.24 173.02 2dwv s SER 6 N 2.81 2.30 0.31 2.44 1.04 -1.26 -5.10 113.70 116.23 2dwv s SER 6 Ca 0.26 1.07 0.08 0.00 0.48 0.00 0.00 55.95 57.83 2dwv s SER 6 Cb -0.07 -1.66 -0.06 0.00 0.10 0.00 0.00 66.02 64.32 2dwv s SER 6 CO -0.09 -3.32 -0.07 -0.83 0.98 0.00 0.00 173.24 169.91 2dwv s GLY 7 N -3.55 1.99 -0.03 7.32 0.00 -1.26 -5.09 107.32 106.71 2dwv s GLY 7 Ca 0.66 -1.99 -0.11 0.00 0.00 0.00 0.00 44.72 43.28 2dwv s GLY 7 CO 0.57 -1.93 0.54 -0.56 0.00 0.00 0.00 173.10 171.73 2dwv h PRO 8 N 2.16 -0.39 -4.33 2.90 0.13 -2.06 -3.47 132.00 126.95 2dwv h PRO 8 Ca -0.41 0.03 -0.16 0.00 -0.87 0.00 0.00 66.00 64.59 2dwv h PRO 8 Cb 1.24 0.09 -0.15 0.00 0.13 0.00 0.00 31.00 32.31 2dwv h PRO 8 CO 0.69 -0.26 -0.63 -0.51 -0.23 0.00 0.00 178.00 177.05 2dwv s LEU 9 N -7.95 1.93 0.37 1.56 1.43 -1.26 -4.75 118.68 110.00 2dwv s LEU 9 Ca -0.06 -1.12 0.04 0.00 -1.03 0.00 0.00 54.13 51.96 2dwv s LEU 9 Cb 0.01 0.33 -0.05 0.00 0.03 0.00 0.00 46.19 46.51 2dwv s LEU 9 CO 0.18 -0.70 0.06 -1.61 0.23 0.00 0.00 176.35 174.51 2dwv s GLU 10 N -4.00 1.81 -0.27 1.70 2.02 -1.26 -5.09 118.70 113.61 2dwv s GLU 10 Ca 0.18 -2.05 0.17 0.00 0.02 0.00 0.00 54.97 53.30 2dwv s GLU 10 Cb 0.07 -0.98 0.49 0.00 0.10 0.00 0.00 34.13 33.81 2dwv s GLU 10 CO -0.02 -0.25 1.14 0.54 0.02 0.00 0.00 175.26 176.68 2dwv n ARG 11 N -0.83 2.37 -3.81 1.61 1.74 -1.26 -5.07 116.66 111.42 2dwv n ARG 11 Ca -0.05 -3.74 -0.21 0.00 -0.77 0.00 0.00 57.85 53.09 2dwv n ARG 11 Cb 0.66 -1.84 -0.05 0.00 -1.02 0.00 0.00 32.46 30.22 2dwv n ARG 11 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2dwv n GLU 12 N -0.63 0.91 0.00 5.56 1.02 -1.26 -5.12 120.64 121.12 2dwv n GLU 12 Ca 0.20 -2.54 0.00 0.00 -0.02 0.00 0.00 57.16 54.79 2dwv n GLU 12 Cb 0.86 1.01 0.00 0.00 -0.02 0.00 0.00 31.44 33.29 2dwv n GLU 12 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dwv n GLY 13 N 0.41 -1.02 3.17 0.62 0.00 -1.26 -5.02 105.19 102.09 2dwv n GLY 13 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 2dwv n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dwv s LEU 14 N -1.56 1.76 0.79 0.99 1.43 -1.26 -5.06 118.68 115.77 2dwv s LEU 14 Ca 0.00 -0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 52.24 2dwv s LEU 14 Cb 0.00 0.77 0.07 0.00 0.03 0.00 0.00 46.19 47.06 2dwv s LEU 14 CO 0.00 -0.68 1.12 -2.16 0.23 0.00 0.00 176.35 174.86 2dwv s PRO 15 N -3.82 2.01 -0.74 1.29 0.04 -1.26 -4.87 135.00 127.64 2dwv s PRO 15 Ca 0.05 1.34 -0.26 0.00 0.04 0.00 0.00 61.00 62.17 2dwv s PRO 15 Cb 0.06 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 2dwv s PRO 15 CO -0.10 -1.85 1.89 -1.25 0.04 0.00 0.00 177.00 175.72 2dwv s PRO 16 N -4.65 2.61 0.00 0.56 0.04 -1.26 -1.89 135.00 130.40 2dwv s PRO 16 Ca 0.64 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.87 2dwv s PRO 16 Cb -0.20 -4.69 0.00 0.00 0.04 0.00 0.00 34.50 29.65 2dwv s PRO 16 CO 0.54 -3.00 0.00 0.41 0.04 0.00 0.00 177.00 174.99 2dwv n GLY 17 N 6.21 -0.69 3.45 0.56 0.00 -1.26 -5.13 105.19 108.33 2dwv n GLY 17 Ca 0.29 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.02 2dwv n GLY 17 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dwv s TRP 18 N -0.00 2.41 0.05 1.61 0.52 -0.79 -2.66 118.94 120.08 2dwv s TRP 18 Ca 0.00 -0.32 0.01 0.00 0.02 0.00 0.00 56.10 55.81 2dwv s TRP 18 Cb 0.00 -1.26 -0.03 0.00 -1.15 0.00 0.00 33.47 31.03 2dwv s TRP 18 CO 0.00 0.41 -0.06 -2.00 0.02 0.00 0.00 176.95 175.32 2dwv s GLU 19 N -2.31 0.57 -0.15 4.98 2.56 -0.92 -4.74 118.70 118.69 2dwv s GLU 19 Ca 0.18 -0.92 -0.00 0.00 0.00 0.00 0.00 54.97 54.23 2dwv s GLU 19 Cb -0.10 -0.14 -0.01 0.00 2.00 0.00 0.00 34.13 35.89 2dwv s GLU 19 CO 0.09 -0.00 -0.13 0.50 -0.56 0.00 0.00 175.26 175.16 2dwv s ARG 20 N -2.36 3.34 -0.24 4.30 3.52 -1.26 -1.30 118.95 124.95 2dwv s ARG 20 Ca -0.04 -0.70 -0.03 0.00 -0.13 0.00 0.00 55.73 54.83 2dwv s ARG 20 Cb -0.04 -2.67 0.01 0.00 -1.56 0.00 0.00 34.95 30.68 2dwv s ARG 20 CO -0.02 0.11 -0.05 0.08 -0.81 0.00 0.00 175.30 174.61 2dwv s VAL 21 N 0.60 3.17 0.34 7.11 1.01 0.07 -5.01 120.40 127.69 2dwv s VAL 21 Ca -0.07 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 2dwv s VAL 21 Cb -0.16 -2.52 -0.07 0.00 0.00 0.00 0.00 36.38 33.64 2dwv s VAL 21 CO 0.03 0.32 0.69 -1.83 0.00 0.00 0.00 175.10 174.30 2dwv s GLU 22 N 1.41 3.82 0.34 2.72 -1.05 -1.26 -1.07 118.70 123.61 2dwv s GLU 22 Ca 0.03 0.41 -0.07 0.00 -0.15 0.00 0.00 54.97 55.20 2dwv s GLU 22 Cb -0.15 -2.48 0.01 0.00 -0.44 0.00 0.00 34.13 31.07 2dwv s GLU 22 CO -0.04 0.11 0.55 -1.12 0.95 0.00 0.00 175.26 175.71 2dwv s SER 23 N -2.79 0.58 -0.01 0.83 0.01 0.67 -4.91 113.70 108.08 2dwv s SER 23 Ca 0.50 -1.34 0.06 0.00 1.31 0.00 0.00 55.95 56.49 2dwv s SER 23 Cb -0.10 0.70 -0.09 0.00 0.21 0.00 0.00 66.02 66.73 2dwv s SER 23 CO 0.26 -1.36 0.17 -1.20 0.41 0.00 0.00 173.24 171.51 2dwv n SER 24 N -1.27 2.90 -0.00 2.44 7.64 -1.26 -3.57 113.62 120.49 2dwv n SER 24 Ca -0.01 -0.12 0.03 0.00 1.01 0.00 0.00 58.87 59.77 2dwv n SER 24 Cb 0.61 1.24 -0.04 0.00 -1.01 0.00 0.00 64.21 65.01 2dwv n SER 24 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2dwv n GLU 25 N -1.61 4.38 0.00 1.43 4.07 -1.26 -4.62 120.64 123.03 2dwv n GLU 25 Ca -0.01 -0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 2dwv n GLU 25 Cb 0.16 -0.84 0.00 0.00 -0.06 0.00 0.00 31.44 30.69 2dwv n GLU 25 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2dwv n PHE 26 N -1.21 0.00 0.00 4.31 3.72 -1.26 -5.07 117.46 117.94 2dwv n PHE 26 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2dwv n PHE 26 Cb 0.11 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 2dwv n PHE 26 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dwv n GLY 27 N 1.10 1.79 3.63 1.37 0.00 -1.23 -4.67 105.19 107.18 2dwv n GLY 27 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 2dwv n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dwv s THR 28 N 0.00 0.00 0.24 2.61 2.01 -1.26 -0.24 115.64 118.99 2dwv s THR 28 Ca 0.00 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 2dwv s THR 28 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 2dwv s THR 28 CO 0.00 0.00 0.25 -0.72 -0.69 0.00 0.00 174.62 173.46 2dwv s TYR 29 N 0.55 1.05 0.14 4.92 -0.85 -0.23 -4.90 117.35 118.03 2dwv s TYR 29 Ca -0.01 -1.27 0.08 0.00 -0.52 0.00 0.00 57.07 55.36 2dwv s TYR 29 Cb -0.05 -0.38 -0.04 0.00 0.38 0.00 0.00 41.96 41.87 2dwv s TYR 29 CO -0.03 -0.78 -0.19 0.71 -1.52 0.00 0.00 175.55 173.73 2dwv s TYR 30 N -3.96 1.82 0.00 -3.49 2.02 -0.40 -0.75 117.35 112.60 2dwv s TYR 30 Ca 0.35 -0.45 0.05 0.00 -0.37 0.00 0.00 57.07 56.65 2dwv s TYR 30 Cb 0.04 -0.94 -0.01 0.00 -0.40 0.00 0.00 41.96 40.64 2dwv s TYR 30 CO 0.14 0.28 -0.15 0.08 -1.57 0.00 0.00 175.55 174.34 2dwv s VAL 31 N -1.68 1.16 -0.36 0.71 1.01 -0.42 -0.95 120.40 119.86 2dwv s VAL 31 Ca 0.12 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 2dwv s VAL 31 Cb -0.07 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.34 2dwv s VAL 31 CO 0.06 0.25 0.20 -0.62 0.00 0.00 0.00 175.10 174.98 2dwv s ASP 32 N -0.56 5.69 0.41 3.32 -1.08 -0.24 -2.17 116.67 122.05 2dwv s ASP 32 Ca 0.05 -0.92 0.26 0.00 -0.52 0.00 0.00 52.55 51.42 2dwv s ASP 32 Cb -0.06 -2.02 0.75 0.00 -1.46 0.00 0.00 42.92 40.13 2dwv s ASP 32 CO -0.00 -0.35 1.75 0.45 0.52 0.00 0.00 175.17 177.53 2dwv h HIS 33 N 8.42 0.00 0.04 -5.34 3.86 -1.81 0.15 115.15 120.46 2dwv h HIS 33 Ca -0.26 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.72 2dwv h HIS 33 Cb 1.11 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.57 2dwv h HIS 33 CO 0.58 0.00 -1.01 1.15 0.86 0.00 0.00 177.93 179.52 2dwv h THR 34 N 0.00 1.56 -0.00 2.45 2.02 -1.95 -3.36 112.91 113.64 2dwv h THR 34 Ca 0.00 -2.98 0.00 0.00 0.77 0.00 0.00 66.41 64.20 2dwv h THR 34 Cb 0.77 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.88 2dwv h THR 34 CO 0.00 0.86 -0.09 0.59 0.37 0.00 0.00 175.52 177.25 2dwv n ASN 35 N -3.53 0.77 -3.59 4.18 3.02 -1.23 -5.03 115.26 109.85 2dwv n ASN 35 Ca -0.04 -0.89 -0.21 0.00 -0.03 0.00 0.00 54.58 53.42 2dwv n ASN 35 Cb 0.90 0.50 0.05 0.00 -0.61 0.00 0.00 39.78 40.62 2dwv n ASN 35 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2dwv n LYS 36 N -0.42 -4.40 -4.46 3.52 4.76 0.49 -5.03 118.16 112.63 2dwv n LYS 36 Ca 0.02 0.67 -0.23 0.00 -2.87 0.00 0.00 58.31 55.90 2dwv n LYS 36 Cb 0.08 -5.26 -0.10 0.00 -1.84 0.00 0.00 35.03 27.91 2dwv n LYS 36 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2dwv s ARG 37 N -5.66 1.64 0.11 1.97 0.52 -1.03 -4.97 118.95 111.53 2dwv s ARG 37 Ca 0.12 -1.85 0.07 0.00 -0.52 0.00 0.00 55.73 53.55 2dwv s ARG 37 Cb -0.03 -1.26 -0.04 0.00 0.52 0.00 0.00 34.95 34.15 2dwv s ARG 37 CO 0.79 0.03 -0.18 0.00 0.02 0.00 0.00 175.30 175.96 2dwv s ALA 38 N -2.95 1.68 0.12 2.13 0.00 -1.26 -1.08 121.76 120.40 2dwv s ALA 38 Ca 0.31 -1.25 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 2dwv s ALA 38 Cb 0.04 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.01 2dwv s ALA 38 CO 0.13 0.27 0.36 1.14 0.00 0.00 0.00 175.76 177.67 2dwv s GLN 39 N -2.13 1.03 -0.12 0.00 -2.07 -0.12 -5.00 119.66 111.25 2dwv s GLN 39 Ca 0.07 -0.75 0.11 0.00 -1.82 0.00 0.00 55.36 52.97 2dwv s GLN 39 Cb -0.09 0.45 0.54 0.00 -1.09 0.00 0.00 33.01 32.82 2dwv s GLN 39 CO 0.04 -0.39 1.37 0.66 -1.32 0.00 0.00 175.29 175.65 2dwv n TYR 40 N -0.19 1.25 -3.88 9.60 4.01 -1.26 -1.27 117.16 125.41 2dwv n TYR 40 Ca -0.16 -0.46 -0.11 0.00 -0.16 0.00 0.00 57.90 57.01 2dwv n TYR 40 Cb 0.63 -0.28 -0.10 0.00 -0.31 0.00 0.00 39.34 39.28 2dwv n TYR 40 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 2dwv s ARG 41 N -1.98 0.50 0.44 -0.72 3.03 -1.26 -4.99 118.95 113.97 2dwv s ARG 41 Ca 0.37 -0.47 -0.26 0.00 2.03 0.00 0.00 55.73 57.40 2dwv s ARG 41 Cb 0.26 0.20 -0.09 0.00 -1.03 0.00 0.00 34.95 34.30 2dwv s ARG 41 CO 0.14 -0.12 1.45 1.58 -1.13 0.00 0.00 175.30 177.22 2dwv n HIS 42 N 1.33 2.77 -0.41 5.89 -0.00 -1.26 -4.78 115.22 118.76 2dwv n HIS 42 Ca -0.22 0.44 -0.03 0.00 -0.00 0.00 0.00 57.72 57.90 2dwv n HIS 42 Cb 0.56 -2.47 -0.05 0.00 -0.00 0.00 0.00 29.99 28.03 2dwv n HIS 42 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2dwv n PRO 43 N -0.11 0.81 -2.95 1.57 -0.04 -1.26 -4.88 135.00 128.13 2dwv n PRO 43 Ca 0.05 -0.27 -0.40 0.00 -0.04 0.00 0.00 63.50 62.84 2dwv n PRO 43 Cb 0.41 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.34 2dwv n PRO 43 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dwv s SER 44 N 2.22 7.13 0.10 3.54 0.15 -1.26 -4.90 113.70 120.68 2dwv s SER 44 Ca 0.18 1.36 0.00 0.00 0.70 0.00 0.00 55.95 58.19 2dwv s SER 44 Cb 0.08 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2dwv s SER 44 CO 0.00 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2dwv n GLY 45 N 2.89 -2.45 3.79 9.45 0.00 -1.26 -4.94 105.19 112.66 2dwv n GLY 45 Ca 0.00 -1.40 -0.34 0.00 0.00 0.00 0.00 46.02 44.28 2dwv n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dwv s PRO 46 N -2.78 3.60 0.17 1.61 0.04 -1.26 -5.00 135.00 131.38 2dwv s PRO 46 Ca 0.00 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.12 2dwv s PRO 46 Cb 0.00 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 2dwv s PRO 46 CO 0.00 -0.60 1.11 -1.54 0.04 0.00 0.00 177.00 176.01 2dwv s SER 47 N -2.12 7.24 -0.20 6.66 1.04 -1.26 -4.93 113.70 120.13 2dwv s SER 47 Ca 0.68 2.10 -0.15 0.00 0.48 0.00 0.00 55.95 59.05 2dwv s SER 47 Cb -0.18 -2.60 -0.09 0.00 0.10 0.00 0.00 66.02 63.25 2dwv s SER 47 CO 0.25 -0.24 -0.20 -0.24 0.98 0.00 0.00 173.24 173.79 2dwv n SER 48 N 2.43 1.89 -0.70 7.02 2.88 -1.26 -5.29 113.62 120.58 2dwv n SER 48 Ca 0.03 0.43 0.13 0.00 -1.33 0.00 0.00 58.87 58.13 2dwv n SER 48 Cb 0.46 -0.84 0.33 0.00 -0.75 0.00 0.00 64.21 63.41 2dwv n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42