#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwv n SER 2 N 0.00 1.70 -0.61 1.61 2.88 -1.26 -4.95 113.62 112.98 2dwv n SER 2 Ca 0.00 0.82 0.06 0.00 -1.33 0.00 0.00 58.87 58.41 2dwv n SER 2 Cb 0.00 -1.51 0.16 0.00 -0.75 0.00 0.00 64.21 62.11 2dwv n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dwv n SER 3 N -1.64 3.05 0.00 -3.46 3.41 -1.26 -4.89 113.62 108.83 2dwv n SER 3 Ca 0.15 -2.30 0.00 0.00 -0.26 0.00 0.00 58.87 56.46 2dwv n SER 3 Cb 0.48 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2dwv n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dwv n GLY 4 N 0.07 1.07 2.81 5.00 0.00 -1.26 -5.07 105.19 107.81 2dwv n GLY 4 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.92 0.83 0.72 1.61 0.01 -1.26 -5.14 113.70 109.55 2dwv s SER 5 Ca 0.00 -1.54 -0.16 0.00 1.31 0.00 0.00 55.95 55.56 2dwv s SER 5 Cb 0.00 0.72 0.03 0.00 0.21 0.00 0.00 66.02 66.98 2dwv s SER 5 CO 0.00 -0.24 1.23 -0.44 0.41 0.00 0.00 173.24 174.20 2dwv s SER 6 N 1.42 4.22 0.84 2.44 0.01 -1.26 -4.97 113.70 116.39 2dwv s SER 6 Ca 0.17 2.43 -0.10 0.00 1.31 0.00 0.00 55.95 59.76 2dwv s SER 6 Cb -0.14 -2.60 0.10 0.00 0.21 0.00 0.00 66.02 63.59 2dwv s SER 6 CO -0.03 -2.25 1.11 -0.83 0.41 0.00 0.00 173.24 171.65 2dwv s GLY 7 N -1.88 1.67 0.23 3.44 0.00 -1.26 -4.95 107.32 104.58 2dwv s GLY 7 Ca 0.76 0.33 0.24 0.00 0.00 0.00 0.00 44.72 46.05 2dwv s GLY 7 CO 0.44 0.72 1.49 -0.56 0.00 0.00 0.00 173.10 175.19 2dwv h PRO 8 N -1.43 0.00 -3.66 2.90 0.13 -1.99 -3.46 132.00 124.49 2dwv h PRO 8 Ca -0.44 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.61 2dwv h PRO 8 Cb 1.25 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.24 2dwv h PRO 8 CO 0.49 0.00 -0.28 -0.51 -0.23 0.00 0.00 178.00 177.47 2dwv s LEU 9 N -4.95 1.11 0.00 1.56 1.43 -1.26 -2.28 118.68 114.29 2dwv s LEU 9 Ca 0.07 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2dwv s LEU 9 Cb 0.11 1.28 0.00 0.00 0.03 0.00 0.00 46.19 47.60 2dwv s LEU 9 CO 0.68 -0.75 0.33 1.21 0.23 0.00 0.00 176.35 178.05 2dwv n GLU 10 N -0.05 -0.41 0.00 1.70 2.13 -1.26 -5.01 120.64 117.74 2dwv n GLU 10 Ca -0.16 -0.35 0.00 0.00 0.66 0.00 0.00 57.16 57.31 2dwv n GLU 10 Cb 0.63 -0.79 0.00 0.00 0.27 0.00 0.00 31.44 31.54 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 -0.02 0.00 -1.05 5.31 1.74 -1.26 -5.01 116.66 116.37 2dwv n ARG 11 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 2dwv n ARG 11 Cb 0.12 -0.86 0.21 0.00 -1.02 0.00 0.00 32.46 30.91 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 -0.03 -0.27 0.79 5.56 0.41 -1.26 -5.05 118.70 118.86 2dwv s GLU 12 Ca 0.00 0.40 -0.12 0.00 -0.41 0.00 0.00 54.97 54.84 2dwv s GLU 12 Cb 0.00 -1.67 0.07 0.00 -1.78 0.00 0.00 34.13 30.75 2dwv s GLU 12 CO 0.00 -3.17 1.11 0.20 -0.49 0.00 0.00 175.26 172.91 2dwv s GLY 13 N -3.42 1.61 0.65 -1.39 0.00 -1.26 -5.07 107.32 98.44 2dwv s GLY 13 Ca 0.67 -0.35 -0.11 0.00 0.00 0.00 0.00 44.72 44.93 2dwv s GLY 13 CO 0.58 0.09 1.05 1.08 0.00 0.00 0.00 173.10 175.91 2dwv s LEU 14 N -5.69 3.09 0.82 0.66 1.43 -1.26 -5.06 118.68 112.67 2dwv s LEU 14 Ca 0.61 1.26 -0.11 0.00 -1.03 0.00 0.00 54.13 54.86 2dwv s LEU 14 Cb -0.13 -4.19 0.08 0.00 0.03 0.00 0.00 46.19 41.98 2dwv s LEU 14 CO 0.53 -1.08 1.09 -2.16 0.23 0.00 0.00 176.35 174.96 2dwv s PRO 15 N -5.25 1.89 -0.36 1.29 0.04 -1.26 -4.91 135.00 126.43 2dwv s PRO 15 Ca 0.56 1.08 -0.28 0.00 0.04 0.00 0.00 61.00 62.40 2dwv s PRO 15 Cb -0.11 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 2dwv s PRO 15 CO 0.53 -1.87 1.79 -1.25 0.04 0.00 0.00 177.00 176.23 2dwv s PRO 16 N -4.90 3.26 0.00 0.56 0.04 -1.26 -1.90 135.00 130.80 2dwv s PRO 16 Ca 0.62 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2dwv s PRO 16 Cb -0.18 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.15 2dwv s PRO 16 CO 0.56 -1.95 0.00 0.41 0.04 0.00 0.00 177.00 176.07 2dwv n GLY 17 N 5.44 1.55 3.86 0.56 0.00 -1.26 -5.12 105.19 110.21 2dwv n GLY 17 Ca 0.22 0.00 -0.36 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 -1.27 3.63 -0.01 1.61 0.52 -0.80 -4.11 118.94 118.51 2dwv s TRP 18 Ca 0.00 0.77 0.06 0.00 0.02 0.00 0.00 56.10 56.95 2dwv s TRP 18 Cb 0.00 -2.13 -0.02 0.00 -1.15 0.00 0.00 33.47 30.17 2dwv s TRP 18 CO 0.00 0.61 -0.19 -2.00 0.02 0.00 0.00 176.95 175.39 2dwv s GLU 19 N -1.49 1.52 -0.14 4.98 2.56 -1.16 -4.78 118.70 120.18 2dwv s GLU 19 Ca 0.26 -0.72 -0.06 0.00 0.00 0.00 0.00 54.97 54.46 2dwv s GLU 19 Cb -0.14 -1.49 -0.04 0.00 2.00 0.00 0.00 34.13 34.46 2dwv s GLU 19 CO 0.14 0.40 0.06 0.50 -0.56 0.00 0.00 175.26 175.80 2dwv s ARG 20 N -0.55 3.58 -0.06 4.30 3.52 -1.26 -1.25 118.95 127.23 2dwv s ARG 20 Ca 0.07 -0.33 0.04 0.00 -0.13 0.00 0.00 55.73 55.38 2dwv s ARG 20 Cb -0.08 -3.08 -0.02 0.00 -1.56 0.00 0.00 34.95 30.22 2dwv s ARG 20 CO -0.00 0.50 -0.16 0.08 -0.81 0.00 0.00 175.30 174.90 2dwv s VAL 21 N -0.27 2.91 -0.04 7.11 1.01 -0.18 -5.01 120.40 125.93 2dwv s VAL 21 Ca 0.08 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.30 2dwv s VAL 21 Cb -0.12 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.14 2dwv s VAL 21 CO 0.02 0.58 -0.07 -1.83 0.00 0.00 0.00 175.10 173.80 2dwv s GLU 22 N -0.57 1.04 0.26 2.72 -1.05 -1.26 -1.61 118.70 118.23 2dwv s GLU 22 Ca 0.08 -0.21 -0.12 0.00 -0.15 0.00 0.00 54.97 54.57 2dwv s GLU 22 Cb -0.11 -0.96 -0.00 0.00 -0.44 0.00 0.00 34.13 32.61 2dwv s GLU 22 CO 0.01 -0.02 0.49 -1.12 0.95 0.00 0.00 175.26 175.57 2dwv s SER 23 N 0.71 -0.02 0.03 0.83 0.01 0.05 -5.00 113.70 110.31 2dwv s SER 23 Ca -0.11 -0.98 0.11 0.00 1.31 0.00 0.00 55.95 56.29 2dwv s SER 23 Cb -0.14 0.60 -0.20 0.00 0.21 0.00 0.00 66.02 66.49 2dwv s SER 23 CO 0.01 -1.17 0.89 0.28 0.41 0.00 0.00 173.24 173.66 2dwv h SER 24 N 2.23 0.00 0.07 2.44 0.02 -2.02 -1.69 113.55 114.60 2dwv h SER 24 Ca -0.26 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.52 2dwv h SER 24 Cb 1.25 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.81 2dwv h SER 24 CO 0.36 0.94 -0.70 -0.08 -1.14 0.00 0.00 176.83 176.20 2dwv h GLU 25 N 0.00 0.36 0.00 3.45 4.57 -2.06 -3.38 114.58 117.52 2dwv h GLU 25 Ca -0.18 -0.48 -0.17 0.00 -1.18 0.00 0.00 59.36 57.35 2dwv h GLU 25 Cb 1.87 0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 30.59 2dwv h GLU 25 CO 0.09 1.17 -2.17 1.19 -1.18 0.00 0.00 179.01 178.11 2dwv n PHE 26 N -4.17 0.02 0.00 0.92 3.72 -1.26 -5.06 117.46 111.62 2dwv n PHE 26 Ca -0.12 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 2dwv n PHE 26 Cb 0.75 -0.74 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 1.49 0.87 3.40 1.37 0.00 -0.64 -4.86 105.19 106.83 2dwv n GLY 27 Ca -0.18 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 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 0.30 2.61 2.01 -1.26 -0.77 115.64 118.51 2dwv s THR 28 Ca 0.00 0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.08 2dwv s THR 28 Cb 0.00 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 2dwv s THR 28 CO 0.00 0.02 0.14 -0.72 -0.69 0.00 0.00 174.62 173.38 2dwv s TYR 29 N 1.45 1.59 0.05 4.92 -0.85 -0.63 -4.91 117.35 118.97 2dwv s TYR 29 Ca -0.09 -1.32 0.07 0.00 -0.52 0.00 0.00 57.07 55.20 2dwv s TYR 29 Cb -0.07 -0.88 -0.03 0.00 0.38 0.00 0.00 41.96 41.37 2dwv s TYR 29 CO -0.15 -0.47 -0.19 0.71 -1.52 0.00 0.00 175.55 173.93 2dwv s TYR 30 N -3.63 1.70 0.02 -3.49 2.02 -0.34 -1.01 117.35 112.61 2dwv s TYR 30 Ca 0.36 -0.38 0.08 0.00 -0.37 0.00 0.00 57.07 56.76 2dwv s TYR 30 Cb 0.06 -0.99 -0.03 0.00 -0.40 0.00 0.00 41.96 40.59 2dwv s TYR 30 CO 0.16 0.10 -0.22 0.08 -1.57 0.00 0.00 175.55 174.10 2dwv s VAL 31 N -0.88 2.43 -0.35 0.71 1.01 -0.38 -1.12 120.40 121.81 2dwv s VAL 31 Ca 0.06 -1.21 -0.08 0.00 0.00 0.00 0.00 61.98 60.75 2dwv s VAL 31 Cb -0.09 -1.96 0.04 0.00 0.00 0.00 0.00 36.38 34.37 2dwv s VAL 31 CO 0.02 0.42 0.14 -0.62 0.00 0.00 0.00 175.10 175.05 2dwv s ASP 32 N -1.15 5.43 0.37 3.32 -1.08 0.09 -2.97 116.67 120.68 2dwv s ASP 32 Ca 0.12 -1.13 0.18 0.00 -0.52 0.00 0.00 52.55 51.21 2dwv s ASP 32 Cb -0.10 -1.91 0.67 0.00 -1.46 0.00 0.00 42.92 40.11 2dwv s ASP 32 CO 0.02 -0.35 1.73 0.45 0.52 0.00 0.00 175.17 177.54 2dwv h HIS 33 N 8.28 0.00 -0.17 -5.34 3.86 -1.86 0.23 115.15 120.14 2dwv h HIS 33 Ca -0.24 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 58.87 2dwv h HIS 33 Cb 1.09 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.54 2dwv h HIS 33 CO 0.59 0.38 -0.34 1.15 0.86 0.00 0.00 177.93 180.58 2dwv h THR 34 N 0.00 1.28 0.00 2.45 2.02 -1.94 -3.28 112.91 113.44 2dwv h THR 34 Ca -0.00 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.79 2dwv h THR 34 Cb 0.90 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 2dwv h THR 34 CO 0.05 0.43 0.00 0.59 0.37 0.00 0.00 175.52 176.96 2dwv n ASN 35 N -4.08 0.97 -3.83 4.18 3.02 -1.21 -5.03 115.26 109.29 2dwv n ASN 35 Ca -0.01 -1.09 -0.25 0.00 -0.03 0.00 0.00 54.58 53.20 2dwv n ASN 35 Cb 0.44 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.62 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 -0.05 -3.49 -4.42 3.52 4.76 0.77 -5.00 118.16 114.26 2dwv n LYS 36 Ca 0.00 0.48 -0.21 0.00 -2.87 0.00 0.00 58.31 55.71 2dwv n LYS 36 Cb 0.06 -4.68 -0.10 0.00 -1.84 0.00 0.00 35.03 28.47 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 -6.28 1.56 0.11 1.97 0.52 -1.03 -4.97 118.95 110.83 2dwv s ARG 37 Ca 0.07 -1.82 0.09 0.00 -0.52 0.00 0.00 55.73 53.55 2dwv s ARG 37 Cb -0.02 -0.97 -0.04 0.00 0.52 0.00 0.00 34.95 34.44 2dwv s ARG 37 CO 0.86 -0.07 -0.24 0.00 0.02 0.00 0.00 175.30 175.87 2dwv s ALA 38 N -3.18 2.06 0.26 2.13 0.00 -1.26 -0.73 121.76 121.05 2dwv s ALA 38 Ca 0.32 -1.34 -0.11 0.00 0.00 0.00 0.00 51.96 50.83 2dwv s ALA 38 Cb 0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.87 2dwv s ALA 38 CO 0.13 0.44 0.46 1.14 0.00 0.00 0.00 175.76 177.93 2dwv s GLN 39 N -1.96 1.59 0.00 0.00 -2.07 -0.27 -5.00 119.66 111.94 2dwv s GLN 39 Ca 0.10 -1.36 0.08 0.00 -1.82 0.00 0.00 55.36 52.36 2dwv s GLN 39 Cb -0.10 0.45 -0.05 0.00 -1.09 0.00 0.00 33.01 32.22 2dwv s GLN 39 CO 0.05 -0.65 0.40 0.66 -1.32 0.00 0.00 175.29 174.43 2dwv n TYR 40 N -0.40 0.00 -3.30 9.60 4.01 -1.26 -1.20 117.16 124.60 2dwv n TYR 40 Ca -0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.55 2dwv n TYR 40 Cb 0.62 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.65 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 -1.53 2.94 0.46 -0.72 1.70 -1.26 -4.85 118.95 115.70 2dwv s ARG 41 Ca 0.04 -1.15 -0.21 0.00 -0.47 0.00 0.00 55.73 53.94 2dwv s ARG 41 Cb 0.06 -2.75 -0.09 0.00 -0.57 0.00 0.00 34.95 31.60 2dwv s ARG 41 CO 0.27 -0.09 1.02 -1.58 -1.08 0.00 0.00 175.30 173.85 2dwv s HIS 42 N -2.27 3.09 0.94 5.89 2.46 -0.97 -4.78 115.29 119.65 2dwv s HIS 42 Ca 0.49 1.59 -0.12 0.00 0.47 0.00 0.00 55.06 57.49 2dwv s HIS 42 Cb -0.09 -3.03 0.16 0.00 -0.13 0.00 0.00 32.58 29.48 2dwv s HIS 42 CO 0.31 -0.67 1.12 -1.25 -2.47 0.00 0.00 174.74 171.79 2dwv s PRO 43 N -3.12 0.88 -0.21 2.88 0.04 -1.26 -5.00 135.00 129.22 2dwv s PRO 43 Ca 0.65 0.38 -0.06 0.00 0.04 0.00 0.00 61.00 62.01 2dwv s PRO 43 Cb -0.16 -1.80 0.10 0.00 0.04 0.00 0.00 34.50 32.68 2dwv s PRO 43 CO 0.20 -2.39 0.42 -1.54 0.04 0.00 0.00 177.00 173.72 2dwv s SER 44 N -3.81 -0.22 0.17 6.66 1.04 -1.26 -5.01 113.70 111.27 2dwv s SER 44 Ca 0.64 0.90 -0.01 0.00 0.48 0.00 0.00 55.95 57.97 2dwv s SER 44 Cb -0.16 1.35 -0.04 0.00 0.10 0.00 0.00 66.02 67.26 2dwv s SER 44 CO 0.55 -0.24 0.10 -0.83 0.98 0.00 0.00 173.24 173.80 2dwv s GLY 45 N 2.61 1.25 -1.27 7.32 0.00 -1.26 -5.09 107.32 110.88 2dwv s GLY 45 Ca 0.00 -1.60 -0.16 0.00 0.00 0.00 0.00 44.72 42.96 2dwv s GLY 45 CO -0.13 -1.39 1.64 -1.55 0.00 0.00 0.00 173.10 171.67 2dwv n PRO 46 N -0.20 3.27 -0.03 2.90 -0.04 -1.26 -4.85 135.00 134.79 2dwv n PRO 46 Ca -0.01 -3.50 0.22 0.00 -0.04 0.00 0.00 63.50 60.17 2dwv n PRO 46 Cb 0.65 -3.28 0.71 0.00 -0.04 0.00 0.00 33.50 31.54 2dwv n PRO 46 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dwv h SER 47 N 7.25 0.00 -4.00 3.54 0.02 -2.05 -3.39 113.55 114.93 2dwv h SER 47 Ca 0.40 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.84 2dwv h SER 47 Cb 0.85 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.09 2dwv h SER 47 CO 1.39 0.00 -0.82 -0.44 -1.14 0.00 0.00 176.83 175.82 2dwv s SER 48 N -5.95 1.81 0.00 3.07 0.01 -1.26 -5.24 113.70 106.14 2dwv s SER 48 Ca -0.05 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2dwv s SER 48 Cb 0.20 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2dwv s SER 48 CO 0.72 0.14 0.00 0.61 0.41 0.00 0.00 173.24 175.12