#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 -0.22 0.55 1.61 0.01 -1.26 -5.15 113.70 109.25 2dwv s SER 2 Ca 0.00 -0.51 -0.21 0.00 1.31 0.00 0.00 55.95 56.53 2dwv s SER 2 Cb 0.00 0.62 -0.05 0.00 0.21 0.00 0.00 66.02 66.80 2dwv s SER 2 CO 0.00 -1.14 1.32 -0.44 0.41 0.00 0.00 173.24 173.39 2dwv s SER 3 N -2.93 5.27 -0.43 2.44 0.01 -1.26 -4.99 113.70 111.81 2dwv s SER 3 Ca 0.12 2.67 0.06 0.00 1.31 0.00 0.00 55.95 60.10 2dwv s SER 3 Cb -0.04 -2.63 0.17 0.00 0.21 0.00 0.00 66.02 63.74 2dwv s SER 3 CO 0.05 -1.56 0.53 -0.83 0.41 0.00 0.00 173.24 171.84 2dwv s GLY 4 N -1.10 -0.48 -0.22 3.44 0.00 -1.26 -5.10 107.32 102.60 2dwv s GLY 4 Ca 0.73 -0.76 -0.28 0.00 0.00 0.00 0.00 44.72 44.41 2dwv s GLY 4 CO 0.44 3.13 2.19 -0.45 0.00 0.00 0.00 173.10 178.41 2dwv s SER 5 N 1.17 5.49 0.06 1.64 0.15 -1.26 -4.91 113.70 116.04 2dwv s SER 5 Ca 0.23 1.87 -0.24 0.00 0.70 0.00 0.00 55.95 58.51 2dwv s SER 5 Cb -0.06 -2.51 0.06 0.00 -1.71 0.00 0.00 66.02 61.80 2dwv s SER 5 CO -0.07 -1.93 0.57 -0.55 1.20 0.00 0.00 173.24 172.46 2dwv s SER 6 N 8.12 -0.51 0.40 5.45 0.15 -1.26 -4.86 113.70 121.18 2dwv s SER 6 Ca 0.99 0.22 0.06 0.00 0.70 0.00 0.00 55.95 57.92 2dwv s SER 6 Cb -0.33 0.53 -0.07 0.00 -1.71 0.00 0.00 66.02 64.44 2dwv s SER 6 CO 0.35 -0.77 0.02 -0.83 1.20 0.00 0.00 173.24 173.21 2dwv s GLY 7 N -2.05 2.44 0.21 9.45 0.00 -1.26 -5.06 107.32 111.04 2dwv s GLY 7 Ca -0.04 -2.18 -0.10 0.00 0.00 0.00 0.00 44.72 42.39 2dwv s GLY 7 CO -0.03 -2.04 1.87 -0.56 0.00 0.00 0.00 173.10 172.34 2dwv h PRO 8 N 1.83 0.93 -2.63 2.90 0.13 -1.99 -3.39 132.00 129.78 2dwv h PRO 8 Ca -0.43 -0.06 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 2dwv h PRO 8 Cb 1.24 -0.21 -0.26 0.00 0.13 0.00 0.00 31.00 31.91 2dwv h PRO 8 CO 0.78 0.61 -0.27 -0.48 -0.23 0.00 0.00 178.00 178.42 2dwv s LEU 9 N -10.16 -0.05 0.06 1.56 0.05 -1.26 -4.53 118.68 104.36 2dwv s LEU 9 Ca -0.13 0.91 -0.07 0.00 0.05 0.00 0.00 54.13 54.90 2dwv s LEU 9 Cb 0.15 1.41 -0.01 0.00 -2.05 0.00 0.00 46.19 45.69 2dwv s LEU 9 CO 0.78 -0.19 0.13 -1.61 -0.55 0.00 0.00 176.35 174.91 2dwv s GLU 10 N 1.20 0.72 -0.08 1.48 0.41 -1.26 -5.07 118.70 116.10 2dwv s GLU 10 Ca -0.08 -0.90 0.18 0.00 -0.41 0.00 0.00 54.97 53.76 2dwv s GLU 10 Cb -0.07 0.28 0.62 0.00 -1.78 0.00 0.00 34.13 33.18 2dwv s GLU 10 CO -0.11 -0.20 1.53 2.89 -0.49 0.00 0.00 175.26 178.89 2dwv n ARG 11 N 0.30 3.35 -1.92 1.61 1.85 -1.26 -4.99 116.66 115.60 2dwv n ARG 11 Ca -0.16 -2.71 -0.29 0.00 -1.00 0.00 0.00 57.85 53.68 2dwv n ARG 11 Cb 0.61 -1.73 0.21 0.00 -1.05 0.00 0.00 32.46 30.49 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 0.96 -1.29 0.00 2.89 1.02 -1.26 -5.11 120.64 117.85 2dwv n GLU 12 Ca 0.23 -2.08 0.00 0.00 -0.02 0.00 0.00 57.16 55.29 2dwv n GLU 12 Cb 0.77 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 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 -3.72 -1.02 3.44 0.62 0.00 -1.26 -5.13 105.19 98.12 2dwv n GLY 13 Ca 0.17 -1.64 -0.22 0.00 0.00 0.00 0.00 46.02 44.32 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 0.00 2.56 0.84 0.99 1.43 -1.26 -5.08 118.68 118.16 2dwv s LEU 14 Ca 0.00 -1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 51.86 2dwv s LEU 14 Cb 0.00 -0.79 0.10 0.00 0.03 0.00 0.00 46.19 45.52 2dwv s LEU 14 CO 0.00 -0.21 1.09 -2.16 0.23 0.00 0.00 176.35 175.30 2dwv s PRO 15 N -3.65 1.70 0.24 1.29 0.04 -1.26 -4.95 135.00 128.41 2dwv s PRO 15 Ca 0.29 0.77 -0.30 0.00 0.04 0.00 0.00 61.00 61.79 2dwv s PRO 15 Cb 0.01 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.58 2dwv s PRO 15 CO 0.12 -1.92 1.45 -1.25 0.04 0.00 0.00 177.00 175.44 2dwv s PRO 16 N -5.03 4.26 0.00 0.56 0.04 -1.26 -2.48 135.00 131.09 2dwv s PRO 16 Ca 0.62 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.97 2dwv s PRO 16 Cb -0.16 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2dwv s PRO 16 CO 0.56 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 177.57 2dwv n GLY 17 N 2.31 1.14 3.97 0.56 0.00 -1.26 -4.97 105.19 106.94 2dwv n GLY 17 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.32 2.97 0.04 1.61 0.52 -1.03 -3.51 118.94 117.22 2dwv s TRP 18 Ca 0.00 0.03 -0.02 0.00 0.02 0.00 0.00 56.10 56.13 2dwv s TRP 18 Cb 0.00 -2.57 -0.03 0.00 -1.15 0.00 0.00 33.47 29.72 2dwv s TRP 18 CO 0.00 -0.66 0.00 -2.00 0.02 0.00 0.00 176.95 174.31 2dwv s GLU 19 N -4.66 0.53 -0.08 4.98 2.56 -0.46 -4.91 118.70 116.66 2dwv s GLU 19 Ca 0.54 -0.95 0.03 0.00 0.00 0.00 0.00 54.97 54.59 2dwv s GLU 19 Cb -0.10 0.19 0.01 0.00 2.00 0.00 0.00 34.13 36.23 2dwv s GLU 19 CO 0.38 -0.11 -0.17 0.50 -0.56 0.00 0.00 175.26 175.30 2dwv s ARG 20 N -2.99 2.27 -0.07 4.30 3.52 -1.26 -1.39 118.95 123.32 2dwv s ARG 20 Ca -0.02 -0.61 0.05 0.00 -0.13 0.00 0.00 55.73 55.02 2dwv s ARG 20 Cb 0.01 -1.78 -0.00 0.00 -1.56 0.00 0.00 34.95 31.62 2dwv s ARG 20 CO -0.07 0.09 -0.22 0.08 -0.81 0.00 0.00 175.30 174.37 2dwv s VAL 21 N 0.53 1.88 -0.09 7.11 1.01 -0.17 -5.01 120.40 125.66 2dwv s VAL 21 Ca -0.16 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 60.86 2dwv s VAL 21 Cb -0.17 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 2dwv s VAL 21 CO 0.06 0.52 -0.01 -1.83 0.00 0.00 0.00 175.10 173.85 2dwv s GLU 22 N 0.14 2.98 0.08 2.72 -1.05 -1.26 -1.64 118.70 120.68 2dwv s GLU 22 Ca -0.11 -0.42 0.01 0.00 -0.15 0.00 0.00 54.97 54.30 2dwv s GLU 22 Cb -0.15 -2.78 -0.00 0.00 -0.44 0.00 0.00 34.13 30.75 2dwv s GLU 22 CO 0.06 0.68 0.09 0.45 0.95 0.00 0.00 175.26 177.49 2dwv n SER 23 N 2.20 -0.23 0.00 0.83 2.88 0.74 -4.97 113.62 115.07 2dwv n SER 23 Ca -0.18 -1.52 0.00 0.00 -1.33 0.00 0.00 58.87 55.84 2dwv n SER 23 Cb 0.53 0.49 0.00 0.00 -0.75 0.00 0.00 64.21 64.48 2dwv n SER 23 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dwv n SER 24 N -2.46 2.82 0.04 -3.46 7.64 -1.26 -3.67 113.62 113.27 2dwv n SER 24 Ca 0.01 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.82 2dwv n SER 24 Cb 0.15 0.04 0.09 0.00 -1.01 0.00 0.00 64.21 63.48 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 0.00 0.43 0.00 1.43 4.57 -2.05 -3.33 114.58 115.63 2dwv h GLU 25 Ca 0.00 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 2dwv h GLU 25 Cb 0.69 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 2dwv h GLU 25 CO 0.00 0.87 -1.04 1.19 -1.18 0.00 0.00 179.01 178.84 2dwv n PHE 26 N -3.94 0.00 0.00 0.92 3.72 -1.26 -5.07 117.46 111.83 2dwv n PHE 26 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2dwv n PHE 26 Cb 0.59 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 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 1.82 1.86 3.49 1.37 0.00 -1.24 -4.82 105.19 107.67 2dwv n GLY 27 Ca -0.01 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 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 0.01 0.22 2.61 2.01 -1.26 -0.19 115.64 119.04 2dwv s THR 28 Ca 0.00 -0.06 -0.16 0.00 0.31 0.00 0.00 61.69 61.77 2dwv s THR 28 Cb 0.00 -0.90 0.01 0.00 0.01 0.00 0.00 72.50 71.62 2dwv s THR 28 CO 0.00 -0.04 0.52 -0.72 -0.69 0.00 0.00 174.62 173.70 2dwv s TYR 29 N -0.60 0.04 0.05 4.92 1.13 -0.65 -4.92 117.35 117.32 2dwv s TYR 29 Ca -0.07 -0.41 0.08 0.00 -1.41 0.00 0.00 57.07 55.26 2dwv s TYR 29 Cb -0.02 0.35 -0.03 0.00 -1.10 0.00 0.00 41.96 41.15 2dwv s TYR 29 CO 0.06 -0.97 -0.22 0.71 -2.51 0.00 0.00 175.55 172.61 2dwv s TYR 30 N -3.93 2.44 0.02 -3.49 2.02 -0.33 -1.00 117.35 113.08 2dwv s TYR 30 Ca 0.14 -0.33 0.07 0.00 -0.37 0.00 0.00 57.07 56.58 2dwv s TYR 30 Cb -0.01 -1.42 -0.02 0.00 -0.40 0.00 0.00 41.96 40.10 2dwv s TYR 30 CO 0.02 0.20 -0.21 0.08 -1.57 0.00 0.00 175.55 174.07 2dwv s VAL 31 N -0.88 1.71 -0.33 0.71 1.01 -0.49 -0.81 120.40 121.34 2dwv s VAL 31 Ca 0.13 -1.09 -0.08 0.00 0.00 0.00 0.00 61.98 60.95 2dwv s VAL 31 Cb -0.10 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.84 2dwv s VAL 31 CO 0.04 0.34 0.12 -0.62 0.00 0.00 0.00 175.10 174.98 2dwv s ASP 32 N -0.88 5.35 0.44 3.32 2.15 0.25 -1.36 116.67 125.94 2dwv s ASP 32 Ca 0.08 -0.87 0.25 0.00 0.43 0.00 0.00 52.55 52.44 2dwv s ASP 32 Cb -0.09 -1.92 0.78 0.00 -0.30 0.00 0.00 42.92 41.39 2dwv s ASP 32 CO 0.01 -0.27 1.76 0.45 -0.17 0.00 0.00 175.17 176.95 2dwv h HIS 33 N 8.28 0.00 -0.17 -5.34 3.86 -1.85 0.55 115.15 120.49 2dwv h HIS 33 Ca -0.28 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 58.81 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 0.60 0.17 -0.43 1.15 0.86 0.00 0.00 177.93 180.28 2dwv h THR 34 N 0.00 1.31 0.00 2.45 2.02 -1.94 -3.29 112.91 113.45 2dwv h THR 34 Ca -0.00 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.59 2dwv h THR 34 Cb 0.84 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 2dwv h THR 34 CO 0.02 0.49 0.00 0.59 0.37 0.00 0.00 175.52 176.99 2dwv n ASN 35 N -4.01 1.07 -3.77 4.18 3.02 -1.23 -5.02 115.26 109.49 2dwv n ASN 35 Ca -0.02 -1.17 -0.25 0.00 -0.03 0.00 0.00 54.58 53.12 2dwv n ASN 35 Cb 0.51 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.70 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 -0.08 -3.42 -4.39 3.52 4.76 0.15 -5.00 118.16 113.70 2dwv n LYS 36 Ca 0.00 0.51 -0.25 0.00 -2.87 0.00 0.00 58.31 55.70 2dwv n LYS 36 Cb 0.07 -4.72 -0.11 0.00 -1.84 0.00 0.00 35.03 28.42 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 -6.14 1.44 -0.01 1.97 0.52 -0.98 -4.97 118.95 110.78 2dwv s ARG 37 Ca 0.12 -1.50 0.08 0.00 -0.52 0.00 0.00 55.73 53.91 2dwv s ARG 37 Cb -0.04 -1.66 -0.02 0.00 0.52 0.00 0.00 34.95 33.75 2dwv s ARG 37 CO 0.85 0.35 -0.25 0.00 0.02 0.00 0.00 175.30 176.27 2dwv s ALA 38 N -1.84 2.09 -0.05 2.13 0.00 -1.26 -0.58 121.76 122.25 2dwv s ALA 38 Ca 0.19 -1.11 -0.15 0.00 0.00 0.00 0.00 51.96 50.90 2dwv s ALA 38 Cb -0.07 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.57 2dwv s ALA 38 CO 0.09 0.51 0.34 1.14 0.00 0.00 0.00 175.76 177.84 2dwv s GLN 39 N -0.72 0.62 0.11 0.00 -2.07 0.01 -5.01 119.66 112.60 2dwv s GLN 39 Ca 0.10 0.02 0.26 0.00 -1.82 0.00 0.00 55.36 53.92 2dwv s GLN 39 Cb -0.10 0.28 0.68 0.00 -1.09 0.00 0.00 33.01 32.79 2dwv s GLN 39 CO -0.00 -0.15 1.60 0.66 -1.32 0.00 0.00 175.29 176.07 2dwv n TYR 40 N 1.69 0.50 -3.71 9.60 4.01 -1.26 -1.19 117.16 126.80 2dwv n TYR 40 Ca -0.19 0.15 -0.35 0.00 -0.16 0.00 0.00 57.90 57.34 2dwv n TYR 40 Cb 0.56 -0.67 -0.05 0.00 -0.31 0.00 0.00 39.34 38.87 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 -3.09 3.63 0.37 -0.72 3.03 -1.26 -4.86 118.95 116.05 2dwv s ARG 41 Ca 0.10 0.01 -0.27 0.00 2.03 0.00 0.00 55.73 57.60 2dwv s ARG 41 Cb 0.15 -3.08 -0.09 0.00 -1.03 0.00 0.00 34.95 30.89 2dwv s ARG 41 CO 0.64 0.64 1.25 -1.58 -1.13 0.00 0.00 175.30 175.13 2dwv s HIS 42 N -1.28 3.01 0.00 5.89 5.65 -1.26 -4.82 115.29 122.48 2dwv s HIS 42 Ca 0.27 1.48 0.00 0.00 0.25 0.00 0.00 55.06 57.06 2dwv s HIS 42 Cb -0.14 -3.56 0.00 0.00 -1.18 0.00 0.00 32.58 27.70 2dwv s HIS 42 CO 0.15 -1.69 0.00 -0.35 -0.65 0.00 0.00 174.74 172.20 2dwv n PRO 43 N 0.37 -0.80 0.00 2.88 -0.04 -1.26 -4.86 135.00 131.29 2dwv n PRO 43 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2dwv n PRO 43 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 2dwv n PRO 43 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dwv n SER 44 N -2.73 2.63 -0.85 3.54 2.88 -1.26 -4.75 113.62 113.09 2dwv n SER 44 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 2dwv n SER 44 Cb 0.00 0.22 -0.00 0.00 -0.75 0.00 0.00 64.21 63.68 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 2.01 -0.81 0.00 0.46 0.00 -1.26 -4.65 105.19 100.94 2dwv n GLY 45 Ca 0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.01 0.00 1.61 0.13 -2.00 -3.51 132.00 128.23 2dwv h PRO 46 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.08 2dwv h PRO 46 Cb 0.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.19 2dwv h PRO 46 CO 0.00 -0.00 0.06 0.43 -0.23 0.00 0.00 178.00 178.25 2dwv n SER 47 N -2.08 -0.89 -4.56 1.44 7.64 -1.26 -5.17 113.62 108.74 2dwv n SER 47 Ca -0.00 -1.78 -0.29 0.00 1.01 0.00 0.00 58.87 57.81 2dwv n SER 47 Cb 0.00 1.53 0.22 0.00 -1.01 0.00 0.00 64.21 64.96 2dwv n SER 47 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dwv s SER 48 N -1.96 1.64 0.00 6.43 0.15 -1.26 -4.81 113.70 113.89 2dwv s SER 48 Ca 0.09 1.52 0.00 0.00 0.70 0.00 0.00 55.95 58.27 2dwv s SER 48 Cb -0.02 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 2dwv s SER 48 CO 0.07 -3.79 0.00 0.61 1.20 0.00 0.00 173.24 171.33