#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 2.47 0.03 1.61 0.01 -1.26 -5.10 113.70 111.46 2dwv s SER 2 Ca 0.00 -2.17 -0.28 0.00 1.31 0.00 0.00 55.95 54.81 2dwv s SER 2 Cb 0.00 -0.22 0.09 0.00 0.21 0.00 0.00 66.02 66.10 2dwv s SER 2 CO 0.00 -0.28 0.92 -0.44 0.41 0.00 0.00 173.24 173.84 2dwv s SER 3 N 1.03 -0.31 -0.39 2.44 0.01 -1.26 -5.09 113.70 110.13 2dwv s SER 3 Ca 0.19 -0.10 0.11 0.00 1.31 0.00 0.00 55.95 57.46 2dwv s SER 3 Cb -0.19 0.40 0.36 0.00 0.21 0.00 0.00 66.02 66.80 2dwv s SER 3 CO -0.02 -0.68 0.87 0.61 0.41 0.00 0.00 173.24 174.43 2dwv n GLY 4 N -0.30 2.57 3.14 3.44 0.00 -1.26 -5.11 105.19 107.67 2dwv n GLY 4 Ca -0.08 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.68 2dwv n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dwv s SER 5 N -2.17 0.62 0.69 1.61 1.04 -1.26 -5.18 113.70 109.05 2dwv s SER 5 Ca 0.34 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.68 2dwv s SER 5 Cb 0.35 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2dwv s SER 5 CO -0.06 -0.62 0.00 -1.54 0.98 0.00 0.00 173.24 172.00 2dwv n SER 6 N -0.02 0.00 -3.16 7.02 3.41 -1.26 -5.14 113.62 114.47 2dwv n SER 6 Ca -0.10 -0.93 -0.17 0.00 -0.26 0.00 0.00 58.87 57.41 2dwv n SER 6 Cb 0.62 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.52 2dwv n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dwv n GLY 7 N 5.00 2.40 0.26 5.00 0.00 -1.26 -5.05 105.19 111.54 2dwv n GLY 7 Ca 0.00 -1.74 0.03 0.00 0.00 0.00 0.00 46.02 44.32 2dwv n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dwv h PRO 8 N 0.00 0.29 -3.19 1.61 0.13 -2.07 -3.45 132.00 125.33 2dwv h PRO 8 Ca -0.26 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.83 2dwv h PRO 8 Cb 1.23 -0.05 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 2dwv h PRO 8 CO 0.37 0.33 0.12 -0.48 -0.23 0.00 0.00 178.00 178.10 2dwv s LEU 9 N -9.01 -0.11 0.00 1.56 2.34 -1.26 -5.03 118.68 107.16 2dwv s LEU 9 Ca -0.06 -0.54 0.00 0.00 0.06 0.00 0.00 54.13 53.58 2dwv s LEU 9 Cb 0.16 2.40 0.00 0.00 -0.56 0.00 0.00 46.19 48.19 2dwv s LEU 9 CO 0.72 -1.18 0.82 1.21 -1.06 0.00 0.00 176.35 176.87 2dwv n GLU 10 N -0.40 0.69 -3.34 1.48 2.13 -1.26 -4.68 120.64 115.26 2dwv n GLU 10 Ca -0.07 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.51 2dwv n GLU 10 Cb 0.61 -1.16 0.03 0.00 0.27 0.00 0.00 31.44 31.20 2dwv n GLU 10 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2dwv n ARG 11 N 0.85 -5.10 -2.37 5.31 1.74 -1.26 -4.87 116.66 110.95 2dwv n ARG 11 Ca 0.00 0.74 -0.36 0.00 -0.77 0.00 0.00 57.85 57.46 2dwv n ARG 11 Cb 0.34 -5.60 -0.03 0.00 -1.02 0.00 0.00 32.46 26.15 2dwv n ARG 11 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2dwv s GLU 12 N -6.02 3.29 -0.40 5.56 2.02 -1.26 -4.83 118.70 117.06 2dwv s GLU 12 Ca 0.43 -1.25 0.06 0.00 0.02 0.00 0.00 54.97 54.24 2dwv s GLU 12 Cb -0.20 -5.34 0.22 0.00 0.10 0.00 0.00 34.13 28.91 2dwv s GLU 12 CO 0.53 -2.81 0.45 0.41 0.02 0.00 0.00 175.26 173.86 2dwv n GLY 13 N 6.20 2.59 3.71 -1.39 0.00 -1.26 -5.11 105.19 109.93 2dwv n GLY 13 Ca 0.42 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.69 3.08 0.85 0.99 1.43 -1.26 -5.04 118.68 118.04 2dwv s LEU 14 Ca 0.34 2.17 -0.12 0.00 -1.03 0.00 0.00 54.13 55.50 2dwv s LEU 14 Cb 0.12 -4.57 0.10 0.00 0.03 0.00 0.00 46.19 41.87 2dwv s LEU 14 CO -0.15 -2.53 1.14 -2.16 0.23 0.00 0.00 176.35 172.88 2dwv s PRO 15 N -4.40 1.64 0.55 1.29 0.04 -1.26 -4.98 135.00 127.89 2dwv s PRO 15 Ca 0.68 0.32 -0.19 0.00 0.04 0.00 0.00 61.00 61.85 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 -1.86 1.15 -1.25 0.04 0.00 0.00 177.00 175.60 2dwv s PRO 16 N -5.34 3.30 0.00 0.56 0.04 -1.26 -2.60 135.00 129.70 2dwv s PRO 16 Ca 0.62 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2dwv s PRO 16 Cb -0.13 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2dwv s PRO 16 CO 0.52 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 177.07 2dwv n GLY 17 N 0.23 2.83 3.93 0.56 0.00 -1.26 -5.01 105.19 106.47 2dwv n GLY 17 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.67 3.51 0.06 1.61 0.52 -1.07 -1.98 118.94 118.91 2dwv s TRP 18 Ca 0.00 0.22 0.02 0.00 0.02 0.00 0.00 56.10 56.37 2dwv s TRP 18 Cb 0.00 -1.74 -0.03 0.00 -1.15 0.00 0.00 33.47 30.55 2dwv s TRP 18 CO 0.00 0.55 -0.08 -2.00 0.02 0.00 0.00 176.95 175.44 2dwv s GLU 19 N -2.79 0.61 -0.15 4.98 2.56 -0.32 -4.81 118.70 118.78 2dwv s GLU 19 Ca 0.35 -0.88 -0.02 0.00 0.00 0.00 0.00 54.97 54.42 2dwv s GLU 19 Cb -0.12 -0.31 -0.02 0.00 2.00 0.00 0.00 34.13 35.68 2dwv s GLU 19 CO 0.28 0.04 -0.07 0.50 -0.56 0.00 0.00 175.26 175.45 2dwv s ARG 20 N -2.03 3.55 0.03 4.30 3.52 -1.26 -1.38 118.95 125.67 2dwv s ARG 20 Ca -0.05 -0.59 0.06 0.00 -0.13 0.00 0.00 55.73 55.02 2dwv s ARG 20 Cb -0.07 -2.80 -0.02 0.00 -1.56 0.00 0.00 34.95 30.50 2dwv s ARG 20 CO -0.00 0.22 -0.17 0.08 -0.81 0.00 0.00 175.30 174.61 2dwv s VAL 21 N 0.38 1.37 0.06 7.11 1.01 -0.04 -5.02 120.40 125.27 2dwv s VAL 21 Ca -0.07 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 60.95 2dwv s VAL 21 Cb -0.15 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 2dwv s VAL 21 CO 0.04 0.17 -0.11 -1.83 0.00 0.00 0.00 175.10 173.37 2dwv s GLU 22 N -0.96 0.67 -0.05 2.72 -1.05 -1.26 -0.52 118.70 118.24 2dwv s GLU 22 Ca 0.05 -0.85 -0.23 0.00 -0.15 0.00 0.00 54.97 53.79 2dwv s GLU 22 Cb -0.08 -0.56 0.05 0.00 -0.44 0.00 0.00 34.13 33.10 2dwv s GLU 22 CO 0.01 0.12 0.52 0.45 0.95 0.00 0.00 175.26 177.30 2dwv s SER 23 N -1.64 -0.46 0.46 0.83 0.15 0.41 -4.95 113.70 108.49 2dwv s SER 23 Ca -0.06 0.50 0.27 0.00 0.70 0.00 0.00 55.95 57.36 2dwv s SER 23 Cb -0.10 0.51 0.75 0.00 -1.71 0.00 0.00 66.02 65.47 2dwv s SER 23 CO 0.01 -0.50 1.76 0.28 1.20 0.00 0.00 173.24 175.99 2dwv h SER 24 N 3.58 0.00 1.46 5.45 0.02 -2.02 0.18 113.55 122.22 2dwv h SER 24 Ca -0.28 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2dwv h SER 24 Cb 1.16 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 2dwv h SER 24 CO 0.37 0.00 -0.54 -0.08 -1.14 0.00 0.00 176.83 175.44 2dwv h GLU 25 N 0.00 0.00 0.00 3.45 4.57 -2.06 -3.41 114.58 117.13 2dwv h GLU 25 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2dwv h GLU 25 Cb 0.79 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 2dwv h GLU 25 CO 0.00 0.01 -0.72 1.19 -1.18 0.00 0.00 179.01 178.30 2dwv n PHE 26 N -2.88 0.00 0.00 0.92 3.72 -1.18 -5.14 117.46 112.90 2dwv n PHE 26 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2dwv n PHE 26 Cb 0.55 0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 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 2.73 1.18 2.79 1.37 0.00 0.63 -4.96 105.19 108.94 2dwv n GLY 27 Ca 0.00 -0.84 -0.17 0.00 0.00 0.00 0.00 46.02 45.01 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 0.09 0.12 2.61 2.01 -1.26 -0.45 115.64 118.76 2dwv s THR 28 Ca 0.00 0.15 -0.06 0.00 0.31 0.00 0.00 61.69 62.09 2dwv s THR 28 Cb 0.00 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.28 2dwv s THR 28 CO 0.00 0.13 0.17 -0.72 -0.69 0.00 0.00 174.62 173.51 2dwv s TYR 29 N 1.11 0.46 0.10 4.92 -0.85 0.32 -4.86 117.35 118.55 2dwv s TYR 29 Ca -0.09 -0.86 0.08 0.00 -0.52 0.00 0.00 57.07 55.68 2dwv s TYR 29 Cb -0.13 -0.20 -0.04 0.00 0.38 0.00 0.00 41.96 41.97 2dwv s TYR 29 CO -0.02 -0.58 -0.17 0.71 -1.52 0.00 0.00 175.55 173.97 2dwv s TYR 30 N -3.95 2.57 0.01 -3.49 2.02 -0.45 -0.86 117.35 113.20 2dwv s TYR 30 Ca 0.14 -0.24 0.04 0.00 -0.37 0.00 0.00 57.07 56.64 2dwv s TYR 30 Cb 0.05 -1.38 -0.01 0.00 -0.40 0.00 0.00 41.96 40.22 2dwv s TYR 30 CO -0.04 0.37 -0.13 0.08 -1.57 0.00 0.00 175.55 174.26 2dwv s VAL 31 N -1.11 1.05 -0.25 0.71 1.01 -0.48 -2.23 120.40 119.10 2dwv s VAL 31 Ca 0.18 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 2dwv s VAL 31 Cb -0.11 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 2dwv s VAL 31 CO 0.10 0.16 0.05 -0.62 0.00 0.00 0.00 175.10 174.79 2dwv s ASP 32 N -0.66 4.94 0.30 3.32 -1.08 -0.78 -1.17 116.67 121.54 2dwv s ASP 32 Ca 0.03 -0.30 0.21 0.00 -0.52 0.00 0.00 52.55 51.98 2dwv s ASP 32 Cb -0.06 -1.88 0.14 0.00 -1.46 0.00 0.00 42.92 39.67 2dwv s ASP 32 CO 0.00 -0.05 1.32 0.45 0.52 0.00 0.00 175.17 177.41 2dwv h HIS 33 N 8.21 0.00 0.01 -5.34 3.86 -1.73 0.34 115.15 120.50 2dwv h HIS 33 Ca -0.38 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 58.63 2dwv h HIS 33 Cb 1.17 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.62 2dwv h HIS 33 CO 0.64 0.10 -0.90 1.15 0.86 0.00 0.00 177.93 179.78 2dwv h THR 34 N 0.00 1.54 -0.00 2.45 2.02 -1.95 -3.36 112.91 113.61 2dwv h THR 34 Ca -0.01 -2.78 0.00 0.00 0.77 0.00 0.00 66.41 64.39 2dwv h THR 34 Cb 1.09 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 70.05 2dwv h THR 34 CO 0.01 0.80 -0.12 0.59 0.37 0.00 0.00 175.52 177.17 2dwv n ASN 35 N -3.59 0.20 -3.56 4.18 3.02 -1.25 -5.04 115.26 109.21 2dwv n ASN 35 Ca -0.03 -0.60 -0.19 0.00 -0.03 0.00 0.00 54.58 53.73 2dwv n ASN 35 Cb 0.83 0.94 0.06 0.00 -0.61 0.00 0.00 39.78 41.00 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 -0.99 -5.56 -4.36 3.52 4.76 0.10 -5.02 118.16 110.60 2dwv n LYS 36 Ca 0.01 0.73 -0.19 0.00 -2.87 0.00 0.00 58.31 55.99 2dwv n LYS 36 Cb 0.05 -5.50 -0.10 0.00 -1.84 0.00 0.00 35.03 27.63 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 -5.64 1.36 -0.02 1.97 0.52 -1.17 -4.98 118.95 111.00 2dwv s ARG 37 Ca 0.02 -1.61 0.07 0.00 -0.52 0.00 0.00 55.73 53.69 2dwv s ARG 37 Cb -0.00 -1.17 -0.02 0.00 0.52 0.00 0.00 34.95 34.28 2dwv s ARG 37 CO 0.77 0.19 -0.24 0.00 0.02 0.00 0.00 175.30 176.05 2dwv s ALA 38 N -2.94 1.97 -0.11 2.13 0.00 -1.26 -1.86 121.76 119.68 2dwv s ALA 38 Ca 0.23 -1.01 -0.19 0.00 0.00 0.00 0.00 51.96 50.99 2dwv s ALA 38 Cb -0.01 -0.51 0.05 0.00 0.00 0.00 0.00 23.12 22.64 2dwv s ALA 38 CO 0.08 0.47 0.48 1.14 0.00 0.00 0.00 175.76 177.93 2dwv s GLN 39 N -0.51 0.70 -0.19 0.00 -2.07 -0.95 -5.04 119.66 111.61 2dwv s GLN 39 Ca 0.08 0.37 0.05 0.00 -1.82 0.00 0.00 55.36 54.04 2dwv s GLN 39 Cb -0.10 0.33 0.43 0.00 -1.09 0.00 0.00 33.01 32.58 2dwv s GLN 39 CO -0.00 -0.15 1.35 0.66 -1.32 0.00 0.00 175.29 175.82 2dwv n TYR 40 N 2.02 1.43 -4.21 9.60 4.01 -1.26 -1.35 117.16 127.39 2dwv n TYR 40 Ca -0.17 -0.79 -0.17 0.00 -0.16 0.00 0.00 57.90 56.62 2dwv n TYR 40 Cb 0.56 -0.47 -0.11 0.00 -0.31 0.00 0.00 39.34 39.01 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 -1.94 0.95 0.44 -0.72 3.03 -1.26 -4.93 118.95 114.52 2dwv s ARG 41 Ca 0.31 -1.18 -0.25 0.00 2.03 0.00 0.00 55.73 56.65 2dwv s ARG 41 Cb 0.25 -0.79 -0.08 0.00 -1.03 0.00 0.00 34.95 33.30 2dwv s ARG 41 CO 0.08 0.15 1.28 -1.58 -1.13 0.00 0.00 175.30 174.09 2dwv s HIS 42 N -2.12 2.76 -0.01 5.89 2.46 -1.26 -4.75 115.29 118.26 2dwv s HIS 42 Ca 0.07 1.43 0.21 0.00 0.47 0.00 0.00 55.06 57.24 2dwv s HIS 42 Cb -0.05 -3.62 0.61 0.00 -0.13 0.00 0.00 32.58 29.39 2dwv s HIS 42 CO 0.02 -2.06 1.69 -1.00 -2.47 0.00 0.00 174.74 170.92 2dwv h PRO 43 N 2.37 0.00 -0.80 2.88 0.13 -2.00 -3.47 132.00 131.11 2dwv h PRO 43 Ca -0.50 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.29 2dwv h PRO 43 Cb 1.25 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.25 2dwv h PRO 43 CO 0.61 0.28 -0.31 0.45 -0.23 0.00 0.00 178.00 178.80 2dwv n SER 44 N -3.31 -5.37 0.00 1.44 2.88 -1.26 -4.73 113.62 103.28 2dwv n SER 44 Ca 0.01 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 2dwv n SER 44 Cb 0.53 -4.35 0.00 0.00 -0.75 0.00 0.00 64.21 59.64 2dwv n SER 44 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dwv n GLY 45 N -0.46 -1.68 0.21 0.46 0.00 -1.26 -4.67 105.19 97.80 2dwv n GLY 45 Ca -0.17 -1.54 -0.05 0.00 0.00 0.00 0.00 46.02 44.26 2dwv n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dwv h PRO 46 N 0.00 0.43 -3.21 1.61 0.13 -1.97 -3.47 132.00 125.52 2dwv h PRO 46 Ca 0.00 -0.21 -0.07 0.00 -0.87 0.00 0.00 66.00 64.85 2dwv h PRO 46 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2dwv h PRO 46 CO 0.00 0.77 0.19 -1.12 -0.23 0.00 0.00 178.00 177.61 2dwv s SER 47 N -6.86 0.19 0.02 1.44 0.01 -1.26 -5.20 113.70 102.05 2dwv s SER 47 Ca -0.06 -1.23 -0.06 0.00 1.31 0.00 0.00 55.95 55.91 2dwv s SER 47 Cb 0.13 0.82 -0.01 0.00 0.21 0.00 0.00 66.02 67.17 2dwv s SER 47 CO 0.80 -1.63 0.10 -0.55 0.41 0.00 0.00 173.24 172.38 2dwv s SER 48 N -3.11 0.12 0.00 2.44 0.15 -1.26 -5.11 113.70 106.94 2dwv s SER 48 Ca 0.18 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.43 2dwv s SER 48 Cb -0.04 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 2dwv s SER 48 CO 0.13 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.74