#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 6.27 0.25 1.61 0.15 -1.26 -5.04 113.70 115.68 2dwv s SER 2 Ca 0.00 2.24 -0.10 0.00 0.70 0.00 0.00 55.95 58.80 2dwv s SER 2 Cb 0.00 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.70 2dwv s SER 2 CO 0.00 -0.84 0.41 -0.44 1.20 0.00 0.00 173.24 173.57 2dwv s SER 3 N -1.42 0.04 0.29 5.45 0.01 -1.26 -5.19 113.70 111.61 2dwv s SER 3 Ca 0.63 -1.07 0.04 0.00 1.31 0.00 0.00 55.95 56.86 2dwv s SER 3 Cb -0.27 0.55 -0.06 0.00 0.21 0.00 0.00 66.02 66.46 2dwv s SER 3 CO 0.33 -1.10 0.01 -0.83 0.41 0.00 0.00 173.24 172.06 2dwv s GLY 4 N -3.06 1.87 0.35 3.44 0.00 -1.26 -5.17 107.32 103.48 2dwv s GLY 4 Ca 0.26 -1.94 -0.17 0.00 0.00 0.00 0.00 44.72 42.87 2dwv s GLY 4 CO 0.11 -1.78 0.83 -1.35 0.00 0.00 0.00 173.10 170.91 2dwv s SER 5 N -3.43 -0.01 0.00 1.64 1.04 -1.26 -5.19 113.70 106.50 2dwv s SER 5 Ca 0.33 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.72 2dwv s SER 5 Cb 0.07 0.79 0.00 0.00 0.10 0.00 0.00 66.02 66.97 2dwv s SER 5 CO 0.13 -1.55 0.00 -0.24 0.98 0.00 0.00 173.24 172.55 2dwv n SER 6 N -1.33 0.00 -4.61 7.02 2.88 -1.26 -5.17 113.62 111.16 2dwv n SER 6 Ca -0.07 -0.38 -0.25 0.00 -1.33 0.00 0.00 58.87 56.84 2dwv n SER 6 Cb 0.60 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.17 2dwv n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dwv s GLY 7 N -0.68 1.76 0.12 0.46 0.00 -1.26 -5.03 107.32 102.69 2dwv s GLY 7 Ca 0.00 -1.49 -0.11 0.00 0.00 0.00 0.00 44.72 43.12 2dwv s GLY 7 CO 0.00 -0.92 1.34 -0.56 0.00 0.00 0.00 173.10 172.96 2dwv h PRO 8 N -0.73 0.75 -3.07 2.90 0.13 -2.04 -3.46 132.00 126.48 2dwv h PRO 8 Ca -0.39 -0.59 -0.14 0.00 -0.87 0.00 0.00 66.00 64.01 2dwv h PRO 8 Cb 1.27 0.12 -0.23 0.00 0.13 0.00 0.00 31.00 32.29 2dwv h PRO 8 CO 0.43 1.21 -0.34 -0.51 -0.23 0.00 0.00 178.00 178.55 2dwv s LEU 9 N -8.38 0.92 0.37 1.56 1.43 -1.26 -4.97 118.68 108.36 2dwv s LEU 9 Ca -0.10 0.31 0.07 0.00 -1.03 0.00 0.00 54.13 53.39 2dwv s LEU 9 Cb 0.09 1.09 -0.07 0.00 0.03 0.00 0.00 46.19 47.33 2dwv s LEU 9 CO 0.89 -0.27 -0.01 -1.61 0.23 0.00 0.00 176.35 175.59 2dwv s GLU 10 N -0.60 1.85 0.00 1.70 8.01 -1.26 -5.02 118.70 123.38 2dwv s GLU 10 Ca -0.07 -2.02 0.03 0.00 0.01 0.00 0.00 54.97 52.92 2dwv s GLU 10 Cb -0.04 -1.49 0.04 0.00 -4.31 0.00 0.00 34.13 28.33 2dwv s GLU 10 CO 0.02 -0.03 0.92 2.89 0.01 0.00 0.00 175.26 179.08 2dwv n ARG 11 N -0.86 0.00 -1.51 1.61 1.85 -1.26 -4.30 116.66 112.18 2dwv n ARG 11 Ca -0.05 -0.92 -0.21 0.00 -1.00 0.00 0.00 57.85 55.68 2dwv n ARG 11 Cb 0.66 -0.33 0.14 0.00 -1.05 0.00 0.00 32.46 31.88 2dwv n ARG 11 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2dwv n GLU 12 N 0.05 -0.77 -1.86 2.89 1.02 -1.26 -5.00 120.64 115.72 2dwv n GLU 12 Ca -0.00 -1.60 -0.42 0.00 -0.02 0.00 0.00 57.16 55.12 2dwv n GLU 12 Cb 0.71 -0.91 -0.03 0.00 -0.02 0.00 0.00 31.44 31.19 2dwv n GLU 12 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2dwv s GLY 13 N -5.00 1.50 0.81 0.62 0.00 -1.26 -4.97 107.32 99.01 2dwv s GLY 13 Ca 0.54 1.20 -0.12 0.00 0.00 0.00 0.00 44.72 46.34 2dwv s GLY 13 CO 0.38 3.10 1.16 1.08 0.00 0.00 0.00 173.10 178.81 2dwv s LEU 14 N 3.42 3.08 0.81 0.66 1.43 -1.26 -5.03 118.68 121.79 2dwv s LEU 14 Ca 0.78 2.17 -0.11 0.00 -1.03 0.00 0.00 54.13 55.94 2dwv s LEU 14 Cb -0.40 -4.57 0.08 0.00 0.03 0.00 0.00 46.19 41.34 2dwv s LEU 14 CO 0.34 -2.53 1.09 -2.16 0.23 0.00 0.00 176.35 173.32 2dwv s PRO 15 N -4.40 1.96 0.00 1.29 0.04 -1.26 -4.95 135.00 127.68 2dwv s PRO 15 Ca 0.68 0.85 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 2dwv s PRO 15 Cb -0.24 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 2dwv s PRO 15 CO 0.52 -1.76 1.51 -1.25 0.04 0.00 0.00 177.00 176.07 2dwv s PRO 16 N -5.02 4.24 0.00 0.56 0.04 -1.26 -2.29 135.00 131.27 2dwv s PRO 16 Ca 0.61 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.75 2dwv s PRO 16 Cb -0.16 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.71 2dwv s PRO 16 CO 0.56 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 177.33 2dwv n GLY 17 N 3.83 2.30 3.97 0.56 0.00 -1.26 -5.10 105.19 109.49 2dwv n GLY 17 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.28 3.16 0.02 1.61 0.52 -0.97 -3.65 118.94 117.34 2dwv s TRP 18 Ca 0.00 -0.19 -0.05 0.00 0.02 0.00 0.00 56.10 55.88 2dwv s TRP 18 Cb 0.00 -1.88 -0.01 0.00 -1.15 0.00 0.00 33.47 30.44 2dwv s TRP 18 CO 0.00 0.11 0.09 -2.00 0.02 0.00 0.00 176.95 175.17 2dwv s GLU 19 N -4.11 0.48 -0.21 4.98 2.56 -1.04 -4.83 118.70 116.53 2dwv s GLU 19 Ca 0.42 -0.54 -0.03 0.00 0.00 0.00 0.00 54.97 54.82 2dwv s GLU 19 Cb -0.09 0.19 -0.01 0.00 2.00 0.00 0.00 34.13 36.22 2dwv s GLU 19 CO 0.30 -0.11 -0.07 0.50 -0.56 0.00 0.00 175.26 175.32 2dwv s ARG 20 N -1.74 3.35 0.02 4.30 3.52 -1.26 -2.25 118.95 124.88 2dwv s ARG 20 Ca -0.12 -0.65 0.01 0.00 -0.13 0.00 0.00 55.73 54.84 2dwv s ARG 20 Cb -0.06 -2.93 -0.04 0.00 -1.56 0.00 0.00 34.95 30.36 2dwv s ARG 20 CO -0.01 -0.15 0.05 0.08 -0.81 0.00 0.00 175.30 174.47 2dwv s VAL 21 N 1.33 4.49 -0.19 7.11 1.01 -1.07 -5.04 120.40 128.04 2dwv s VAL 21 Ca 0.04 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 2dwv s VAL 21 Cb -0.14 -3.07 0.05 0.00 0.00 0.00 0.00 36.38 33.23 2dwv s VAL 21 CO -0.03 0.31 -0.00 -1.83 0.00 0.00 0.00 175.10 173.54 2dwv s GLU 22 N -1.83 0.99 0.37 2.72 -1.05 -1.26 -3.28 118.70 115.37 2dwv s GLU 22 Ca 0.23 -0.51 0.03 0.00 -0.15 0.00 0.00 54.97 54.58 2dwv s GLU 22 Cb -0.12 -2.10 -0.04 0.00 -0.44 0.00 0.00 34.13 31.43 2dwv s GLU 22 CO 0.15 -0.57 0.10 -1.12 0.95 0.00 0.00 175.26 174.77 2dwv s SER 23 N 1.73 2.61 -0.04 0.83 0.01 0.55 -5.01 113.70 114.37 2dwv s SER 23 Ca -0.01 -1.55 0.14 0.00 1.31 0.00 0.00 55.95 55.84 2dwv s SER 23 Cb -0.17 0.28 -0.21 0.00 0.21 0.00 0.00 66.02 66.13 2dwv s SER 23 CO -0.07 -0.80 0.26 -1.20 0.41 0.00 0.00 173.24 171.83 2dwv n SER 24 N -1.03 1.71 0.04 2.44 7.64 -1.26 -3.16 113.62 120.00 2dwv n SER 24 Ca -0.05 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.96 2dwv n SER 24 Cb 0.66 1.48 0.29 0.00 -1.01 0.00 0.00 64.21 65.63 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 -2.10 0.17 0.08 1.43 4.07 -1.26 -4.66 120.64 118.37 2dwv n GLU 25 Ca -0.07 0.07 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2dwv n GLU 25 Cb 0.49 -1.63 0.00 0.00 -0.06 0.00 0.00 31.44 30.24 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 -1.89 -1.28 0.00 4.31 3.72 -1.26 -5.16 117.46 115.90 2dwv n PHE 26 Ca 0.05 0.23 0.00 0.00 -0.05 0.00 0.00 57.45 57.67 2dwv n PHE 26 Cb 0.40 0.41 0.00 0.00 -0.94 0.00 0.00 39.48 39.35 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 2.04 0.86 2.82 1.37 0.00 -1.19 -5.01 105.19 106.08 2dwv n GLY 27 Ca 0.00 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 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 0.87 0.03 2.61 2.01 -1.26 -0.33 115.64 119.57 2dwv s THR 28 Ca 0.00 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.36 2dwv s THR 28 Cb 0.00 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.27 2dwv s THR 28 CO 0.00 -0.07 -0.09 -0.72 -0.69 0.00 0.00 174.62 173.05 2dwv s TYR 29 N 1.71 0.80 0.00 4.92 -0.85 -1.21 -4.86 117.35 117.87 2dwv s TYR 29 Ca -0.01 -0.35 -0.02 0.00 -0.52 0.00 0.00 57.07 56.17 2dwv s TYR 29 Cb -0.17 -0.48 -0.04 0.00 0.38 0.00 0.00 41.96 41.65 2dwv s TYR 29 CO -0.07 -0.02 0.19 0.71 -1.52 0.00 0.00 175.55 174.83 2dwv s TYR 30 N -0.89 3.54 -0.03 -3.49 2.02 0.53 -2.60 117.35 116.43 2dwv s TYR 30 Ca -0.03 0.33 0.07 0.00 -0.37 0.00 0.00 57.07 57.07 2dwv s TYR 30 Cb -0.07 -1.81 -0.02 0.00 -0.40 0.00 0.00 41.96 39.66 2dwv s TYR 30 CO 0.01 0.63 -0.24 0.08 -1.57 0.00 0.00 175.55 174.46 2dwv s VAL 31 N -1.36 1.94 -0.36 0.71 1.01 -0.95 -0.68 120.40 120.71 2dwv s VAL 31 Ca 0.29 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 2dwv s VAL 31 Cb -0.13 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.66 2dwv s VAL 31 CO 0.20 0.55 0.17 -0.62 0.00 0.00 0.00 175.10 175.40 2dwv s ASP 32 N -0.42 5.60 0.39 3.32 2.15 -0.53 -2.49 116.67 124.70 2dwv s ASP 32 Ca 0.05 -1.01 0.27 0.00 0.43 0.00 0.00 52.55 52.29 2dwv s ASP 32 Cb -0.11 -1.98 0.82 0.00 -0.30 0.00 0.00 42.92 41.35 2dwv s ASP 32 CO 0.01 -0.36 1.76 0.45 -0.17 0.00 0.00 175.17 176.86 2dwv h HIS 33 N 8.37 0.00 0.00 -5.34 3.86 -1.87 0.26 115.15 120.43 2dwv h HIS 33 Ca -0.25 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 58.85 2dwv h HIS 33 Cb 1.10 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.55 2dwv h HIS 33 CO 0.58 0.00 -0.53 1.15 0.86 0.00 0.00 177.93 180.00 2dwv h THR 34 N 0.00 1.28 0.00 2.45 2.02 -1.94 -3.33 112.91 113.38 2dwv h THR 34 Ca 0.00 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 65.32 2dwv h THR 34 Cb 0.71 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 2dwv h THR 34 CO 0.00 0.52 0.00 0.59 0.37 0.00 0.00 175.52 177.00 2dwv n ASN 35 N -3.77 0.16 -3.31 4.18 3.02 -1.22 -5.05 115.26 109.28 2dwv n ASN 35 Ca -0.01 -0.49 -0.17 0.00 -0.03 0.00 0.00 54.58 53.88 2dwv n ASN 35 Cb 0.56 0.54 0.07 0.00 -0.61 0.00 0.00 39.78 40.33 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 -0.54 -2.11 -4.51 3.52 5.02 0.87 -5.04 118.16 115.38 2dwv n LYS 36 Ca 0.00 0.82 -0.24 0.00 -2.02 0.00 0.00 58.31 56.87 2dwv n LYS 36 Cb 0.02 -5.61 -0.11 0.00 -0.02 0.00 0.00 35.03 29.31 2dwv n LYS 36 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2dwv s ARG 37 N -4.60 1.75 0.04 1.97 1.81 -0.96 -4.97 118.95 114.01 2dwv s ARG 37 Ca 0.46 -1.96 0.04 0.00 -1.72 0.00 0.00 55.73 52.54 2dwv s ARG 37 Cb -0.07 -1.24 -0.02 0.00 -0.45 0.00 0.00 34.95 33.16 2dwv s ARG 37 CO 0.76 -0.08 -0.11 0.00 -0.68 0.00 0.00 175.30 175.19 2dwv s ALA 38 N -3.00 0.86 0.23 2.13 0.00 -1.26 -1.45 121.76 119.27 2dwv s ALA 38 Ca 0.35 -0.79 -0.16 0.00 0.00 0.00 0.00 51.96 51.36 2dwv s ALA 38 Cb 0.08 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.15 2dwv s ALA 38 CO 0.16 0.10 0.55 1.14 0.00 0.00 0.00 175.76 177.71 2dwv s GLN 39 N -1.36 1.53 -0.02 0.00 -2.07 0.15 -4.99 119.66 112.90 2dwv s GLN 39 Ca -0.04 -1.04 0.14 0.00 -1.82 0.00 0.00 55.36 52.60 2dwv s GLN 39 Cb -0.09 0.52 0.41 0.00 -1.09 0.00 0.00 33.01 32.76 2dwv s GLN 39 CO 0.01 -0.66 1.34 0.66 -1.32 0.00 0.00 175.29 175.33 2dwv n TYR 40 N -0.38 0.65 -4.28 9.60 4.01 -1.26 -0.35 117.16 125.16 2dwv n TYR 40 Ca -0.06 -0.53 -0.21 0.00 -0.16 0.00 0.00 57.90 56.95 2dwv n TYR 40 Cb 0.61 -0.05 -0.12 0.00 -0.31 0.00 0.00 39.34 39.48 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 -1.16 1.11 0.32 -0.72 3.03 -1.26 -4.96 118.95 115.31 2dwv s ARG 41 Ca 0.31 -1.25 -0.29 0.00 2.03 0.00 0.00 55.73 56.53 2dwv s ARG 41 Cb 0.17 -1.16 -0.11 0.00 -1.03 0.00 0.00 34.95 32.82 2dwv s ARG 41 CO 0.19 0.24 1.56 1.58 -1.13 0.00 0.00 175.30 177.74 2dwv n HIS 42 N 0.65 2.89 -2.33 5.89 -0.00 -1.26 -4.86 115.22 116.20 2dwv n HIS 42 Ca -0.16 0.32 -0.36 0.00 0.46 0.00 0.00 57.72 57.98 2dwv n HIS 42 Cb 0.56 -2.57 -0.04 0.00 -0.12 0.00 0.00 29.99 27.82 2dwv n HIS 42 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 2dwv s PRO 43 N -1.03 3.09 -0.04 1.57 0.04 -1.26 -4.88 135.00 132.49 2dwv s PRO 43 Ca 0.60 -0.57 -0.04 0.00 0.04 0.00 0.00 61.00 61.04 2dwv s PRO 43 Cb -0.49 -5.03 0.01 0.00 0.04 0.00 0.00 34.50 29.03 2dwv s PRO 43 CO 0.54 -2.66 0.11 -1.12 0.04 0.00 0.00 177.00 173.91 2dwv s SER 44 N 6.18 -0.11 0.00 6.66 0.01 -1.26 -4.91 113.70 120.27 2dwv s SER 44 Ca 0.55 0.21 0.00 0.00 1.31 0.00 0.00 55.95 58.02 2dwv s SER 44 Cb -0.04 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.41 2dwv s SER 44 CO -0.01 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2dwv n GLY 45 N 2.99 1.53 3.68 3.44 0.00 -1.26 -5.10 105.19 110.46 2dwv n GLY 45 Ca -0.13 -1.35 -0.46 0.00 0.00 0.00 0.00 46.02 44.08 2dwv n GLY 45 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dwv n PRO 46 N -1.29 2.33 -3.87 1.61 -0.04 -1.26 -4.96 135.00 127.52 2dwv n PRO 46 Ca 0.00 0.85 -0.30 0.00 -0.04 0.00 0.00 63.50 64.00 2dwv n PRO 46 Cb 0.00 -2.67 -0.15 0.00 -0.04 0.00 0.00 33.50 30.64 2dwv n PRO 46 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dwv s SER 47 N 2.52 4.33 -0.02 3.54 0.01 -1.26 -5.01 113.70 117.80 2dwv s SER 47 Ca 0.85 -2.08 -0.14 0.00 1.31 0.00 0.00 55.95 55.89 2dwv s SER 47 Cb -0.63 -1.27 -0.08 0.00 0.21 0.00 0.00 66.02 64.25 2dwv s SER 47 CO 0.43 -0.37 0.67 -1.28 0.41 0.00 0.00 173.24 173.10 2dwv h SER 48 N 7.60 -0.43 0.00 2.44 0.87 -2.08 -3.56 113.55 118.39 2dwv h SER 48 Ca -0.08 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2dwv h SER 48 Cb 1.00 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2dwv h SER 48 CO 0.51 -0.09 0.00 0.61 -0.53 0.00 0.00 176.83 177.33