#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 1.39 0.03 1.61 1.04 -1.26 -5.17 113.70 111.34 2dwv s SER 2 Ca 0.00 -1.05 -0.04 0.00 0.48 0.00 0.00 55.95 55.34 2dwv s SER 2 Cb 0.00 0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.17 2dwv s SER 2 CO 0.00 -0.45 0.05 -0.55 0.98 0.00 0.00 173.24 173.27 2dwv s SER 3 N -3.12 0.22 0.00 7.02 0.15 -1.26 -5.17 113.70 111.55 2dwv s SER 3 Ca 0.16 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.26 2dwv s SER 3 Cb 0.05 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 2dwv s SER 3 CO -0.01 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.59 2dwv n GLY 4 N 0.98 -0.63 2.78 9.45 0.00 -1.26 -5.14 105.19 111.38 2dwv n GLY 4 Ca -0.20 -1.06 -0.16 0.00 0.00 0.00 0.00 46.02 44.60 2dwv n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dwv s SER 5 N 0.00 1.09 -0.11 1.61 0.15 -1.26 -5.13 113.70 110.05 2dwv s SER 5 Ca 0.00 -1.43 -0.24 0.00 0.70 0.00 0.00 55.95 54.98 2dwv s SER 5 Cb 0.00 0.62 0.06 0.00 -1.71 0.00 0.00 66.02 64.99 2dwv s SER 5 CO 0.00 -0.27 0.57 -0.94 1.20 0.00 0.00 173.24 173.80 2dwv s SER 6 N 1.57 -0.55 0.88 5.45 1.04 -1.26 -5.18 113.70 115.65 2dwv s SER 6 Ca 0.16 0.78 -0.12 0.00 0.48 0.00 0.00 55.95 57.24 2dwv s SER 6 Cb -0.15 0.75 0.12 0.00 0.10 0.00 0.00 66.02 66.84 2dwv s SER 6 CO -0.07 -0.42 1.14 -0.83 0.98 0.00 0.00 173.24 174.04 2dwv s GLY 7 N -0.65 1.58 0.00 7.32 0.00 -1.26 -5.04 107.32 109.27 2dwv s GLY 7 Ca -0.07 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.11 2dwv s GLY 7 CO 0.05 -0.00 0.76 -1.55 0.00 0.00 0.00 173.10 172.36 2dwv n PRO 8 N -3.63 0.00 -3.20 2.90 -0.04 -1.26 -4.98 135.00 124.79 2dwv n PRO 8 Ca 0.07 0.31 -0.08 0.00 -0.04 0.00 0.00 63.50 63.75 2dwv n PRO 8 Cb 0.59 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 2dwv n PRO 8 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2dwv n LEU 9 N -1.35 0.00 0.00 1.53 -0.00 -1.26 -4.16 117.00 111.76 2dwv n LEU 9 Ca 0.00 -2.02 -0.16 0.00 -0.00 0.00 0.00 56.01 53.83 2dwv n LEU 9 Cb 0.00 2.49 -0.05 0.00 -0.00 0.00 0.00 43.42 45.86 2dwv n LEU 9 CO 0.00 -0.58 -0.09 -0.62 -0.00 0.00 0.00 177.39 176.09 2dwv n GLU 10 N -0.41 0.58 -0.47 1.47 1.02 -1.26 -4.93 120.64 116.64 2dwv n GLU 10 Ca -0.04 -2.24 0.01 0.00 -0.02 0.00 0.00 57.16 54.87 2dwv n GLU 10 Cb 0.44 1.38 0.01 0.00 -0.02 0.00 0.00 31.44 33.25 2dwv n GLU 10 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2dwv n ARG 11 N -0.55 0.08 -1.23 3.49 1.85 -1.26 -4.89 116.66 114.14 2dwv n ARG 11 Ca -0.01 -1.09 -0.23 0.00 -1.00 0.00 0.00 57.85 55.51 2dwv n ARG 11 Cb 0.40 -0.56 0.18 0.00 -1.05 0.00 0.00 32.46 31.43 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 -0.08 -1.68 -0.71 2.89 -0.58 -1.26 -5.07 120.64 114.14 2dwv n GLU 12 Ca 0.01 -1.53 -0.30 0.00 -0.42 0.00 0.00 57.16 54.92 2dwv n GLU 12 Cb 0.70 -1.16 0.27 0.00 -0.57 0.00 0.00 31.44 30.67 2dwv n GLU 12 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2dwv s GLY 13 N -4.81 1.50 0.06 0.62 0.00 -1.26 -5.09 107.32 98.34 2dwv s GLY 13 Ca 0.58 -0.88 0.02 0.00 0.00 0.00 0.00 44.72 44.45 2dwv s GLY 13 CO 0.42 0.07 -0.08 1.08 0.00 0.00 0.00 173.10 174.60 2dwv s LEU 14 N -7.42 2.35 0.92 0.66 1.43 -1.26 -5.05 118.68 110.30 2dwv s LEU 14 Ca 0.70 -0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 52.97 2dwv s LEU 14 Cb -0.12 -0.14 0.14 0.00 0.03 0.00 0.00 46.19 46.10 2dwv s LEU 14 CO 0.57 -0.29 1.09 -2.16 0.23 0.00 0.00 176.35 175.79 2dwv s PRO 15 N -2.37 1.10 0.38 1.29 0.04 -1.26 -4.92 135.00 129.26 2dwv s PRO 15 Ca -0.02 0.71 -0.28 0.00 0.04 0.00 0.00 61.00 61.45 2dwv s PRO 15 Cb -0.05 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.59 2dwv s PRO 15 CO -0.01 -2.32 1.42 -1.25 0.04 0.00 0.00 177.00 174.88 2dwv s PRO 16 N -4.97 4.10 0.00 0.56 0.04 -1.26 -2.24 135.00 131.22 2dwv s PRO 16 Ca 0.64 2.43 0.00 0.00 0.04 0.00 0.00 61.00 64.10 2dwv s PRO 16 Cb -0.18 -2.93 0.00 0.00 0.04 0.00 0.00 34.50 31.43 2dwv s PRO 16 CO 0.57 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.53 2dwv n GLY 17 N 0.57 1.79 3.85 0.56 0.00 -1.26 -4.95 105.19 105.75 2dwv n GLY 17 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.63 3.23 0.06 1.61 0.52 -0.95 -3.25 118.94 117.53 2dwv s TRP 18 Ca 0.00 -0.01 -0.07 0.00 0.02 0.00 0.00 56.10 56.04 2dwv s TRP 18 Cb 0.00 -1.53 -0.01 0.00 -1.15 0.00 0.00 33.47 30.78 2dwv s TRP 18 CO 0.00 0.51 0.14 -2.00 0.02 0.00 0.00 176.95 175.62 2dwv s GLU 19 N -3.32 0.72 -0.12 4.98 2.56 -1.14 -4.83 118.70 117.55 2dwv s GLU 19 Ca 0.32 -0.88 0.00 0.00 0.00 0.00 0.00 54.97 54.42 2dwv s GLU 19 Cb -0.10 0.29 0.02 0.00 2.00 0.00 0.00 34.13 36.34 2dwv s GLU 19 CO 0.25 -0.20 -0.11 0.50 -0.56 0.00 0.00 175.26 175.14 2dwv s ARG 20 N -3.30 1.89 0.06 4.30 3.52 -1.26 -1.86 118.95 122.30 2dwv s ARG 20 Ca 0.01 -0.41 0.02 0.00 -0.13 0.00 0.00 55.73 55.22 2dwv s ARG 20 Cb 0.03 -1.78 -0.04 0.00 -1.56 0.00 0.00 34.95 31.59 2dwv s ARG 20 CO -0.08 -0.21 0.10 0.08 -0.81 0.00 0.00 175.30 174.39 2dwv s VAL 21 N 1.45 4.72 -0.05 7.11 1.01 0.46 -4.98 120.40 130.13 2dwv s VAL 21 Ca 0.02 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.37 2dwv s VAL 21 Cb -0.13 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 33.01 2dwv s VAL 21 CO -0.07 0.17 -0.06 -1.83 0.00 0.00 0.00 175.10 173.30 2dwv s GLU 22 N -2.30 0.99 0.24 2.72 -1.05 -1.26 -1.43 118.70 116.60 2dwv s GLU 22 Ca 0.29 -0.18 -0.09 0.00 -0.15 0.00 0.00 54.97 54.85 2dwv s GLU 22 Cb -0.12 -0.93 -0.02 0.00 -0.44 0.00 0.00 34.13 32.62 2dwv s GLU 22 CO 0.22 -0.04 0.37 -1.12 0.95 0.00 0.00 175.26 175.63 2dwv s SER 23 N 0.79 0.04 -0.15 0.83 0.01 -0.34 -4.98 113.70 109.89 2dwv s SER 23 Ca -0.12 -1.10 -0.10 0.00 1.31 0.00 0.00 55.95 55.94 2dwv s SER 23 Cb -0.14 0.53 -0.24 0.00 0.21 0.00 0.00 66.02 66.38 2dwv s SER 23 CO 0.01 -1.05 0.27 -1.20 0.41 0.00 0.00 173.24 171.67 2dwv n SER 24 N -0.40 2.05 0.28 2.44 7.64 -1.26 -0.97 113.62 123.39 2dwv n SER 24 Ca -0.00 0.24 0.14 0.00 1.01 0.00 0.00 58.87 60.26 2dwv n SER 24 Cb 0.63 -0.86 0.79 0.00 -1.01 0.00 0.00 64.21 63.76 2dwv n SER 24 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2dwv h GLU 25 N -0.21 0.00 0.00 1.43 4.81 -2.06 -3.26 114.58 115.30 2dwv h GLU 25 Ca -0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2dwv h GLU 25 Cb 1.85 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.23 2dwv h GLU 25 CO -0.01 0.09 -0.12 1.19 -0.73 0.00 0.00 179.01 179.43 2dwv n PHE 26 N -3.54 0.00 0.00 0.92 3.72 -1.26 -5.09 117.46 112.21 2dwv n PHE 26 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2dwv n PHE 26 Cb 0.22 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 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 0.73 2.26 3.46 1.37 0.00 -0.15 -4.70 105.19 108.15 2dwv n GLY 27 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.12 2.61 2.01 -1.26 -1.20 115.64 117.92 2dwv s THR 28 Ca 0.00 0.02 -0.11 0.00 0.31 0.00 0.00 61.69 61.91 2dwv s THR 28 Cb 0.00 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.73 2dwv s THR 28 CO 0.00 0.01 0.27 -0.72 -0.69 0.00 0.00 174.62 173.49 2dwv s TYR 29 N 0.69 0.13 0.09 4.92 1.13 -0.52 -4.88 117.35 118.92 2dwv s TYR 29 Ca -0.03 -0.52 0.08 0.00 -1.41 0.00 0.00 57.07 55.19 2dwv s TYR 29 Cb -0.05 0.02 -0.04 0.00 -1.10 0.00 0.00 41.96 40.80 2dwv s TYR 29 CO -0.05 -0.64 -0.18 0.71 -2.51 0.00 0.00 175.55 172.88 2dwv s TYR 30 N -3.88 2.54 0.01 -3.49 1.51 -0.18 -0.40 117.35 113.46 2dwv s TYR 30 Ca 0.08 -0.26 0.05 0.00 -1.01 0.00 0.00 57.07 55.93 2dwv s TYR 30 Cb 0.04 -1.39 -0.02 0.00 -0.11 0.00 0.00 41.96 40.48 2dwv s TYR 30 CO -0.08 0.33 -0.17 0.08 -1.11 0.00 0.00 175.55 174.60 2dwv s VAL 31 N -1.06 1.33 -0.44 0.71 1.01 -0.78 -0.81 120.40 120.37 2dwv s VAL 31 Ca 0.17 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.19 2dwv s VAL 31 Cb -0.11 -1.14 0.10 0.00 0.00 0.00 0.00 36.38 35.23 2dwv s VAL 31 CO 0.08 0.26 0.29 -0.62 0.00 0.00 0.00 175.10 175.11 2dwv s ASP 32 N -0.71 5.63 0.48 3.32 2.15 -0.01 -2.88 116.67 124.65 2dwv s ASP 32 Ca 0.06 -1.72 0.33 0.00 0.43 0.00 0.00 52.55 51.64 2dwv s ASP 32 Cb -0.07 -1.98 1.53 0.00 -0.30 0.00 0.00 42.92 42.10 2dwv s ASP 32 CO 0.00 -0.60 1.98 0.45 -0.17 0.00 0.00 175.17 176.83 2dwv h HIS 33 N 8.39 0.00 0.00 -5.34 3.86 -1.85 0.38 115.15 120.59 2dwv h HIS 33 Ca -0.21 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 58.86 2dwv h HIS 33 Cb 1.08 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.53 2dwv h HIS 33 CO 0.62 0.00 -0.65 1.15 0.86 0.00 0.00 177.93 179.91 2dwv h THR 34 N 0.00 1.44 0.00 2.45 2.02 -1.93 -3.34 112.91 113.55 2dwv h THR 34 Ca 0.00 -2.24 0.00 0.00 0.77 0.00 0.00 66.41 64.94 2dwv h THR 34 Cb 0.27 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 2dwv h THR 34 CO 0.00 0.63 0.00 0.59 0.37 0.00 0.00 175.52 177.11 2dwv n ASN 35 N -3.73 0.57 -3.66 4.18 3.02 -1.04 -5.03 115.26 109.57 2dwv n ASN 35 Ca -0.01 -0.93 -0.23 0.00 -0.03 0.00 0.00 54.58 53.38 2dwv n ASN 35 Cb 0.65 0.06 0.06 0.00 -0.61 0.00 0.00 39.78 39.94 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 -0.06 -6.23 -4.38 3.52 4.76 0.13 -5.01 118.16 110.88 2dwv n LYS 36 Ca 0.00 0.72 -0.26 0.00 -2.87 0.00 0.00 58.31 55.91 2dwv n LYS 36 Cb 0.08 -5.59 -0.12 0.00 -1.84 0.00 0.00 35.03 27.56 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 -6.06 1.40 0.01 1.97 0.52 -1.14 -4.96 118.95 110.70 2dwv s ARG 37 Ca 0.30 -1.43 0.05 0.00 -0.52 0.00 0.00 55.73 54.13 2dwv s ARG 37 Cb -0.14 -1.68 -0.03 0.00 0.52 0.00 0.00 34.95 33.62 2dwv s ARG 37 CO 0.78 0.37 -0.15 0.00 0.02 0.00 0.00 175.30 176.31 2dwv s ALA 38 N -1.62 2.70 0.21 2.13 0.00 -1.26 -0.83 121.76 123.09 2dwv s ALA 38 Ca 0.17 -1.11 -0.00 0.00 0.00 0.00 0.00 51.96 51.02 2dwv s ALA 38 Cb -0.08 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 2dwv s ALA 38 CO 0.08 0.58 0.14 1.14 0.00 0.00 0.00 175.76 177.70 2dwv s GLN 39 N -1.28 1.25 0.00 0.00 -2.07 0.01 -5.00 119.66 112.57 2dwv s GLN 39 Ca 0.15 -1.67 0.10 0.00 -1.82 0.00 0.00 55.36 52.12 2dwv s GLN 39 Cb -0.11 0.28 0.22 0.00 -1.09 0.00 0.00 33.01 32.30 2dwv s GLN 39 CO 0.05 -0.41 1.10 0.66 -1.32 0.00 0.00 175.29 175.37 2dwv n TYR 40 N -0.30 0.29 -4.25 9.60 4.01 -1.26 -1.01 117.16 124.23 2dwv n TYR 40 Ca 0.03 -0.34 -0.14 0.00 -0.16 0.00 0.00 57.90 57.28 2dwv n TYR 40 Cb 0.66 -0.02 -0.10 0.00 -0.31 0.00 0.00 39.34 39.57 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 -0.95 1.07 0.36 -0.72 3.03 -1.26 -4.42 118.95 116.06 2dwv s ARG 41 Ca 0.18 -1.47 -0.28 0.00 2.03 0.00 0.00 55.73 56.18 2dwv s ARG 41 Cb 0.10 -0.55 -0.11 0.00 -1.03 0.00 0.00 34.95 33.36 2dwv s ARG 41 CO 0.14 0.03 1.50 1.58 -1.13 0.00 0.00 175.30 177.41 2dwv n HIS 42 N -0.21 2.92 -1.41 5.89 -0.00 -1.26 -4.74 115.22 116.40 2dwv n HIS 42 Ca -0.09 0.41 -0.29 0.00 -0.00 0.00 0.00 57.72 57.74 2dwv n HIS 42 Cb 0.61 -2.54 0.13 0.00 -0.00 0.00 0.00 29.99 28.19 2dwv n HIS 42 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2dwv s PRO 43 N -1.73 1.27 0.00 1.57 0.04 -1.26 -5.03 135.00 129.85 2dwv s PRO 43 Ca 0.56 0.52 0.00 0.00 0.04 0.00 0.00 61.00 62.12 2dwv s PRO 43 Cb -0.49 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.22 2dwv s PRO 43 CO 0.60 -2.16 0.00 0.43 0.04 0.00 0.00 177.00 175.92 2dwv n SER 44 N -3.78 0.00 0.00 6.66 7.64 -1.26 -5.06 113.62 117.83 2dwv n SER 44 Ca 0.06 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.26 2dwv n SER 44 Cb 0.57 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 2dwv n SER 44 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dwv n GLY 45 N 2.19 0.08 1.84 0.23 0.00 -1.26 -5.01 105.19 103.26 2dwv n GLY 45 Ca 0.00 -1.13 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.68 -0.44 0.00 1.61 -0.04 -1.26 -5.10 135.00 129.09 2dwv n PRO 46 Ca 0.00 -1.05 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 2dwv n PRO 46 Cb 0.00 -0.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 2dwv n PRO 46 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dwv n SER 47 N -3.32 0.00 -3.92 3.54 2.88 -1.26 -5.14 113.62 106.41 2dwv n SER 47 Ca 0.08 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.50 2dwv n SER 47 Cb 0.28 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.67 2dwv n SER 47 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dwv s SER 48 N -1.00 0.25 0.00 -3.46 0.01 -1.26 -5.26 113.70 102.98 2dwv s SER 48 Ca 0.00 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 56.03 2dwv s SER 48 Cb 0.00 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.75 2dwv s SER 48 CO 0.00 -1.05 0.00 0.61 0.41 0.00 0.00 173.24 173.21