#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 4.18 -0.15 1.61 0.01 -1.26 -5.01 113.70 113.08 2dwv s SER 2 Ca 0.00 0.78 -0.01 0.00 1.31 0.00 0.00 55.95 58.02 2dwv s SER 2 Cb 0.00 -1.25 -0.02 0.00 0.21 0.00 0.00 66.02 64.96 2dwv s SER 2 CO 0.00 -2.11 -0.10 -0.94 0.41 0.00 0.00 173.24 170.50 2dwv s SER 3 N -4.49 4.19 0.00 2.44 1.04 -1.26 -5.00 113.70 110.62 2dwv s SER 3 Ca 0.63 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.77 2dwv s SER 3 Cb -0.11 -1.66 0.00 0.00 0.10 0.00 0.00 66.02 64.35 2dwv s SER 3 CO 0.50 0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.48 2dwv n GLY 4 N 3.67 1.00 3.20 7.32 0.00 -1.26 -5.12 105.19 114.00 2dwv n GLY 4 Ca -0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 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 1.72 0.12 1.61 0.01 -1.26 -5.16 113.70 110.75 2dwv s SER 5 Ca 0.00 -0.75 0.05 0.00 1.31 0.00 0.00 55.95 56.56 2dwv s SER 5 Cb 0.00 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.15 2dwv s SER 5 CO 0.00 -0.16 0.06 -0.55 0.41 0.00 0.00 173.24 173.00 2dwv s SER 6 N -2.21 5.26 -0.00 2.44 0.15 -1.26 -5.10 113.70 112.97 2dwv s SER 6 Ca 0.04 -0.16 -0.30 0.00 0.70 0.00 0.00 55.95 56.23 2dwv s SER 6 Cb -0.06 -1.31 0.11 0.00 -1.71 0.00 0.00 66.02 63.05 2dwv s SER 6 CO 0.02 0.13 1.23 -0.83 1.20 0.00 0.00 173.24 174.98 2dwv s GLY 7 N -2.68 -0.38 0.13 9.45 0.00 -1.26 -5.06 107.32 107.52 2dwv s GLY 7 Ca 0.28 0.69 -0.13 0.00 0.00 0.00 0.00 44.72 45.56 2dwv s GLY 7 CO 0.21 0.14 1.53 -0.56 0.00 0.00 0.00 173.10 174.42 2dwv h PRO 8 N 2.00 0.79 -2.93 2.90 0.13 -1.99 -3.43 132.00 129.46 2dwv h PRO 8 Ca -0.28 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 2dwv h PRO 8 Cb 1.20 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2dwv h PRO 8 CO 0.28 0.92 0.32 -0.48 -0.23 0.00 0.00 178.00 178.81 2dwv s LEU 9 N -9.24 0.02 0.10 1.56 0.05 -1.26 -5.02 118.68 104.89 2dwv s LEU 9 Ca -0.12 -1.10 0.00 0.00 0.05 0.00 0.00 54.13 52.95 2dwv s LEU 9 Cb 0.10 2.75 -0.04 0.00 -2.05 0.00 0.00 46.19 46.95 2dwv s LEU 9 CO 0.82 -1.61 -0.01 -1.61 -0.55 0.00 0.00 176.35 173.39 2dwv s GLU 10 N -2.21 0.83 0.00 1.48 0.41 -1.26 -5.05 118.70 112.89 2dwv s GLU 10 Ca 0.17 -1.36 0.00 0.00 -0.41 0.00 0.00 54.97 53.37 2dwv s GLU 10 Cb -0.05 0.04 0.00 0.00 -1.78 0.00 0.00 34.13 32.34 2dwv s GLU 10 CO 0.11 -0.13 0.01 2.89 -0.49 0.00 0.00 175.26 177.65 2dwv n ARG 11 N -0.04 3.57 -0.97 1.61 1.85 -1.26 -4.92 116.66 116.51 2dwv n ARG 11 Ca -0.10 -0.01 -0.25 0.00 -1.00 0.00 0.00 57.85 56.49 2dwv n ARG 11 Cb 0.62 -0.30 0.20 0.00 -1.05 0.00 0.00 32.46 31.94 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 -0.51 -2.55 -1.22 2.89 1.02 -1.26 -5.03 120.64 113.99 2dwv n GLU 12 Ca 0.00 -1.49 -0.32 0.00 -0.02 0.00 0.00 57.16 55.33 2dwv n GLU 12 Cb 0.01 -1.33 0.10 0.00 -0.02 0.00 0.00 31.44 30.20 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 -4.32 1.82 0.62 0.62 0.00 -1.26 -5.03 107.32 99.77 2dwv s GLY 13 Ca 0.60 0.45 -0.10 0.00 0.00 0.00 0.00 44.72 45.66 2dwv s GLY 13 CO 0.45 0.82 1.02 1.08 0.00 0.00 0.00 173.10 176.47 2dwv s LEU 14 N -5.85 3.20 0.88 0.66 1.43 -1.26 -5.06 118.68 112.68 2dwv s LEU 14 Ca 0.65 1.31 -0.11 0.00 -1.03 0.00 0.00 54.13 54.94 2dwv s LEU 14 Cb -0.20 -4.30 0.12 0.00 0.03 0.00 0.00 46.19 41.84 2dwv s LEU 14 CO 0.53 -0.93 1.09 -2.16 0.23 0.00 0.00 176.35 175.11 2dwv s PRO 15 N -5.17 1.40 0.63 1.29 0.04 -1.26 -4.93 135.00 126.99 2dwv s PRO 15 Ca 0.55 0.97 -0.18 0.00 0.04 0.00 0.00 61.00 62.37 2dwv s PRO 15 Cb -0.11 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 2dwv s PRO 15 CO 0.53 -2.19 1.26 -1.25 0.04 0.00 0.00 177.00 175.39 2dwv s PRO 16 N -4.88 2.71 0.00 0.56 0.04 -1.26 -2.42 135.00 129.74 2dwv s PRO 16 Ca 0.63 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2dwv s PRO 16 Cb -0.18 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2dwv s PRO 16 CO 0.57 -1.45 0.00 0.41 0.04 0.00 0.00 177.00 176.57 2dwv n GLY 17 N 0.76 3.03 3.82 0.56 0.00 -1.26 -5.01 105.19 107.09 2dwv n GLY 17 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.31 3.68 0.15 1.61 0.52 -1.02 -4.14 118.94 118.43 2dwv s TRP 18 Ca 0.00 1.25 0.10 0.00 0.02 0.00 0.00 56.10 57.47 2dwv s TRP 18 Cb 0.00 -2.50 -0.04 0.00 -1.15 0.00 0.00 33.47 29.77 2dwv s TRP 18 CO 0.00 0.43 -0.19 -2.00 0.02 0.00 0.00 176.95 175.21 2dwv s GLU 19 N -1.75 1.71 -0.20 4.98 2.56 -1.13 -4.83 118.70 120.04 2dwv s GLU 19 Ca 0.38 -1.29 -0.00 0.00 0.00 0.00 0.00 54.97 54.05 2dwv s GLU 19 Cb -0.17 -2.03 0.01 0.00 2.00 0.00 0.00 34.13 33.94 2dwv s GLU 19 CO 0.20 0.45 -0.15 0.50 -0.56 0.00 0.00 175.26 175.70 2dwv s ARG 20 N -2.35 3.05 0.01 4.30 3.52 -1.26 -2.28 118.95 123.95 2dwv s ARG 20 Ca 0.19 -0.80 0.03 0.00 -0.13 0.00 0.00 55.73 55.01 2dwv s ARG 20 Cb -0.10 -2.71 -0.04 0.00 -1.56 0.00 0.00 34.95 30.55 2dwv s ARG 20 CO 0.10 -0.23 -0.03 0.08 -0.81 0.00 0.00 175.30 174.41 2dwv s VAL 21 N 1.33 3.91 -0.01 7.11 1.01 -0.45 -5.00 120.40 128.31 2dwv s VAL 21 Ca 0.04 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.35 2dwv s VAL 21 Cb -0.14 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 2dwv s VAL 21 CO -0.10 0.35 -0.15 -1.83 0.00 0.00 0.00 175.10 173.37 2dwv s GLU 22 N -1.58 1.26 -0.24 2.72 -1.05 -1.26 -1.19 118.70 117.35 2dwv s GLU 22 Ca 0.19 -0.55 -0.16 0.00 -0.15 0.00 0.00 54.97 54.30 2dwv s GLU 22 Cb -0.11 -1.21 0.07 0.00 -0.44 0.00 0.00 34.13 32.43 2dwv s GLU 22 CO 0.10 0.33 0.61 -1.12 0.95 0.00 0.00 175.26 176.13 2dwv s SER 23 N -0.34 -0.78 0.42 0.83 0.01 -0.37 -4.97 113.70 108.50 2dwv s SER 23 Ca 0.05 1.32 0.08 0.00 1.31 0.00 0.00 55.95 58.72 2dwv s SER 23 Cb -0.06 1.22 0.91 0.00 0.21 0.00 0.00 66.02 68.30 2dwv s SER 23 CO -0.00 -0.22 2.06 0.28 0.41 0.00 0.00 173.24 175.76 2dwv h SER 24 N 6.61 0.43 1.05 2.44 0.02 -2.02 0.28 113.55 122.36 2dwv h SER 24 Ca -0.31 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2dwv h SER 24 Cb 1.20 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2dwv h SER 24 CO 0.18 0.31 0.00 -0.08 -1.14 0.00 0.00 176.83 176.09 2dwv h GLU 25 N 0.50 0.00 0.00 3.45 4.57 -2.06 -3.37 114.58 117.67 2dwv h GLU 25 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2dwv h GLU 25 Cb -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2dwv h GLU 25 CO -0.03 0.00 -0.35 1.19 -1.18 0.00 0.00 179.01 178.63 2dwv n PHE 26 N -2.53 0.00 0.00 0.92 3.72 -0.92 -5.12 117.46 113.53 2dwv n PHE 26 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2dwv n PHE 26 Cb 0.31 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 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 1.44 1.62 3.25 1.37 0.00 0.95 -4.95 105.19 108.86 2dwv n GLY 27 Ca 0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.02 -0.03 2.61 2.01 -1.26 -1.23 115.64 117.72 2dwv s THR 28 Ca 0.00 0.06 -0.05 0.00 0.31 0.00 0.00 61.69 62.02 2dwv s THR 28 Cb 0.00 -0.56 0.01 0.00 0.01 0.00 0.00 72.50 71.96 2dwv s THR 28 CO 0.00 0.03 0.11 -0.72 -0.69 0.00 0.00 174.62 173.35 2dwv s TYR 29 N 0.93 -0.05 0.24 4.92 1.13 -0.33 -4.95 117.35 119.24 2dwv s TYR 29 Ca -0.06 0.13 0.00 0.00 -1.41 0.00 0.00 57.07 55.73 2dwv s TYR 29 Cb -0.06 -0.00 -0.04 0.00 -1.10 0.00 0.00 41.96 40.76 2dwv s TYR 29 CO -0.07 -0.14 0.42 0.71 -2.51 0.00 0.00 175.55 173.95 2dwv s TYR 30 N -0.47 3.48 0.01 -3.49 2.02 -0.79 -1.34 117.35 116.77 2dwv s TYR 30 Ca -0.06 0.28 0.04 0.00 -0.37 0.00 0.00 57.07 56.97 2dwv s TYR 30 Cb -0.04 -1.81 -0.01 0.00 -0.40 0.00 0.00 41.96 39.70 2dwv s TYR 30 CO 0.00 0.34 -0.12 0.08 -1.57 0.00 0.00 175.55 174.28 2dwv s VAL 31 N -1.97 0.94 -0.39 0.71 1.01 -0.96 -1.53 120.40 118.21 2dwv s VAL 31 Ca 0.38 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 2dwv s VAL 31 Cb -0.10 -0.82 0.04 0.00 0.00 0.00 0.00 36.38 35.50 2dwv s VAL 31 CO 0.30 0.15 0.22 -0.62 0.00 0.00 0.00 175.10 175.15 2dwv s ASP 32 N -0.59 5.70 0.40 3.32 -1.08 -0.16 -2.83 116.67 121.43 2dwv s ASP 32 Ca 0.03 -1.14 0.20 0.00 -0.52 0.00 0.00 52.55 51.12 2dwv s ASP 32 Cb -0.06 -2.01 0.76 0.00 -1.46 0.00 0.00 42.92 40.15 2dwv s ASP 32 CO 0.00 -0.43 1.76 0.45 0.52 0.00 0.00 175.17 177.48 2dwv h HIS 33 N 8.43 0.00 -0.28 -5.34 3.86 -1.86 0.21 115.15 120.16 2dwv h HIS 33 Ca -0.25 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 58.81 2dwv h HIS 33 Cb 1.10 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.57 2dwv h HIS 33 CO 0.58 0.33 -0.43 1.15 0.86 0.00 0.00 177.93 180.43 2dwv h THR 34 N 0.00 1.29 0.00 2.45 2.02 -1.94 -3.32 112.91 113.41 2dwv h THR 34 Ca -0.00 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.56 2dwv h THR 34 Cb 0.84 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 2dwv h THR 34 CO 0.04 0.52 -0.70 0.59 0.37 0.00 0.00 175.52 176.34 2dwv n ASN 35 N -4.14 0.70 -3.42 4.18 3.02 -1.22 -5.02 115.26 109.36 2dwv n ASN 35 Ca -0.04 -0.85 -0.21 0.00 -0.03 0.00 0.00 54.58 53.45 2dwv n ASN 35 Cb 0.56 1.00 0.06 0.00 -0.61 0.00 0.00 39.78 40.79 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 -1.35 -2.08 -4.44 3.52 4.76 0.70 -5.04 118.16 114.22 2dwv n LYS 36 Ca 0.03 0.72 -0.21 0.00 -2.87 0.00 0.00 58.31 55.97 2dwv n LYS 36 Cb 0.23 -5.21 -0.10 0.00 -1.84 0.00 0.00 35.03 28.10 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 -5.03 1.59 0.03 1.97 1.81 -1.00 -4.98 118.95 113.35 2dwv s ARG 37 Ca 0.44 -1.84 0.03 0.00 -1.72 0.00 0.00 55.73 52.65 2dwv s ARG 37 Cb -0.10 -1.06 -0.02 0.00 -0.45 0.00 0.00 34.95 33.32 2dwv s ARG 37 CO 0.78 -0.04 -0.10 0.00 -0.68 0.00 0.00 175.30 175.26 2dwv s ALA 38 N -3.10 0.83 0.15 2.13 0.00 -1.26 -0.98 121.76 119.52 2dwv s ALA 38 Ca 0.32 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.50 2dwv s ALA 38 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.08 2dwv s ALA 38 CO 0.13 0.12 0.31 1.14 0.00 0.00 0.00 175.76 177.47 2dwv s GLN 39 N -1.03 1.13 -0.20 0.00 -2.07 -0.58 -5.01 119.66 111.89 2dwv s GLN 39 Ca -0.02 -1.05 0.15 0.00 -1.82 0.00 0.00 55.36 52.62 2dwv s GLN 39 Cb -0.07 0.40 0.72 0.00 -1.09 0.00 0.00 33.01 32.96 2dwv s GLN 39 CO 0.01 -0.42 1.63 0.66 -1.32 0.00 0.00 175.29 175.85 2dwv n TYR 40 N -0.21 1.65 -3.96 9.60 4.01 -1.26 -1.89 117.16 125.10 2dwv n TYR 40 Ca -0.10 -0.75 -0.09 0.00 -0.16 0.00 0.00 57.90 56.80 2dwv n TYR 40 Cb 0.63 -0.41 -0.10 0.00 -0.31 0.00 0.00 39.34 39.14 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 -2.63 0.44 0.39 -0.72 3.03 -1.26 -5.03 118.95 113.17 2dwv s ARG 41 Ca 0.50 -0.68 -0.27 0.00 2.03 0.00 0.00 55.73 57.31 2dwv s ARG 41 Cb 0.38 0.17 -0.10 0.00 -1.03 0.00 0.00 34.95 34.36 2dwv s ARG 41 CO 0.15 -0.09 1.48 -1.58 -1.13 0.00 0.00 175.30 174.13 2dwv s HIS 42 N -2.00 2.55 -0.56 5.89 2.46 -1.26 -4.86 115.29 117.50 2dwv s HIS 42 Ca -0.11 1.18 -0.26 0.00 0.47 0.00 0.00 55.06 56.35 2dwv s HIS 42 Cb -0.05 -4.01 -0.05 0.00 -0.13 0.00 0.00 32.58 28.34 2dwv s HIS 42 CO -0.02 -3.01 2.18 -1.25 -2.47 0.00 0.00 174.74 170.17 2dwv s PRO 43 N -2.18 2.30 0.00 2.88 0.04 -1.26 -4.83 135.00 131.95 2dwv s PRO 43 Ca 0.55 1.02 0.26 0.00 0.04 0.00 0.00 61.00 62.87 2dwv s PRO 43 Cb -0.46 -4.53 1.56 0.00 0.04 0.00 0.00 34.50 31.12 2dwv s PRO 43 CO 0.62 -3.11 1.98 -1.13 0.04 0.00 0.00 177.00 175.40 2dwv n SER 44 N 14.73 0.00 0.00 6.66 3.41 -1.26 -4.97 113.62 132.19 2dwv n SER 44 Ca 0.31 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.82 2dwv n SER 44 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2dwv n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dwv n GLY 45 N 0.85 -2.18 1.53 5.00 0.00 -1.26 -4.22 105.19 104.90 2dwv n GLY 45 Ca 0.20 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.18 0.85 -4.22 1.61 -0.04 -1.26 -4.79 135.00 126.97 2dwv n PRO 46 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2dwv n PRO 46 Cb 0.00 -1.08 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 2dwv n PRO 46 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dwv s SER 47 N 1.92 0.39 0.17 3.54 1.04 -1.26 -5.05 113.70 114.45 2dwv s SER 47 Ca 0.00 -1.36 -0.15 0.00 0.48 0.00 0.00 55.95 54.92 2dwv s SER 47 Cb 0.00 0.32 0.05 0.00 0.10 0.00 0.00 66.02 66.50 2dwv s SER 47 CO 0.00 -0.80 1.83 0.77 0.98 0.00 0.00 173.24 176.02 2dwv h SER 48 N 2.60 0.53 0.00 7.02 4.64 -1.87 -3.45 113.55 123.02 2dwv h SER 48 Ca -0.36 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2dwv h SER 48 Cb 1.24 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2dwv h SER 48 CO 0.55 0.38 0.00 0.61 -0.87 0.00 0.00 176.83 177.51