#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 2.94 0.09 1.61 0.01 -1.26 -5.09 113.70 112.00 2dwv s SER 2 Ca 0.00 2.11 -0.02 0.00 1.31 0.00 0.00 55.95 59.35 2dwv s SER 2 Cb 0.00 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 2dwv s SER 2 CO 0.00 -3.08 0.04 -0.44 0.41 0.00 0.00 173.24 170.18 2dwv s SER 3 N -2.74 0.36 -0.30 2.44 0.01 -1.26 -5.16 113.70 107.05 2dwv s SER 3 Ca 0.66 -1.02 -0.02 0.00 1.31 0.00 0.00 55.95 56.88 2dwv s SER 3 Cb -0.22 0.26 0.19 0.00 0.21 0.00 0.00 66.02 66.46 2dwv s SER 3 CO 0.58 -0.68 0.64 -0.83 0.41 0.00 0.00 173.24 173.36 2dwv s GLY 4 N -2.96 -0.96 -0.57 3.44 0.00 -1.26 -5.08 107.32 99.92 2dwv s GLY 4 Ca 0.13 1.88 0.06 0.00 0.00 0.00 0.00 44.72 46.79 2dwv s GLY 4 CO -0.05 3.44 0.77 1.44 0.00 0.00 0.00 173.10 178.70 2dwv n SER 5 N 5.43 3.32 -4.67 1.64 7.64 -1.26 -5.09 113.62 120.63 2dwv n SER 5 Ca -0.01 -3.39 -0.45 0.00 1.01 0.00 0.00 58.87 56.03 2dwv n SER 5 Cb 0.51 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 63.05 2dwv n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dwv n SER 6 N 0.58 2.79 -4.38 6.43 3.41 -1.26 -5.00 113.62 116.19 2dwv n SER 6 Ca 0.29 1.13 -0.29 0.00 -0.26 0.00 0.00 58.87 59.74 2dwv n SER 6 Cb 0.44 -1.42 0.15 0.00 -0.26 0.00 0.00 64.21 63.12 2dwv n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dwv s GLY 7 N 0.42 1.73 0.00 5.00 0.00 -1.26 -5.07 107.32 108.14 2dwv s GLY 7 Ca 0.71 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 44.36 2dwv s GLY 7 CO 0.47 -0.39 0.06 -1.55 0.00 0.00 0.00 173.10 171.69 2dwv n PRO 8 N -3.58 0.00 -3.69 2.90 -0.04 -1.26 -4.88 135.00 124.45 2dwv n PRO 8 Ca 0.13 0.42 -0.13 0.00 -0.04 0.00 0.00 63.50 63.88 2dwv n PRO 8 Cb 0.60 -0.96 -0.13 0.00 -0.04 0.00 0.00 33.50 32.97 2dwv n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dwv s LEU 9 N -3.55 -0.01 0.57 1.53 1.43 -1.26 -4.59 118.68 112.80 2dwv s LEU 9 Ca 0.00 0.54 -0.07 0.00 -1.03 0.00 0.00 54.13 53.57 2dwv s LEU 9 Cb 0.00 0.67 -0.01 0.00 0.03 0.00 0.00 46.19 46.88 2dwv s LEU 9 CO 0.00 -0.21 0.89 -1.61 0.23 0.00 0.00 176.35 175.65 2dwv s GLU 10 N 1.97 3.23 0.00 1.70 2.02 -1.26 -5.01 118.70 121.35 2dwv s GLU 10 Ca -0.03 0.21 0.22 0.00 0.02 0.00 0.00 54.97 55.39 2dwv s GLU 10 Cb -0.11 -2.26 -0.27 0.00 0.10 0.00 0.00 34.13 31.58 2dwv s GLU 10 CO -0.08 -0.53 0.61 0.54 0.02 0.00 0.00 175.26 175.81 2dwv n ARG 11 N -2.53 0.58 -1.11 1.61 1.74 -1.26 -4.99 116.66 110.70 2dwv n ARG 11 Ca 0.03 -0.13 -0.30 0.00 -0.77 0.00 0.00 57.85 56.68 2dwv n ARG 11 Cb 0.56 -1.56 0.23 0.00 -1.02 0.00 0.00 32.46 30.67 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 -3.44 -0.93 0.01 5.56 2.02 -1.26 -5.01 118.70 115.65 2dwv s GLU 12 Ca -0.05 0.02 -0.05 0.00 0.02 0.00 0.00 54.97 54.91 2dwv s GLU 12 Cb 0.14 -1.62 -0.03 0.00 0.10 0.00 0.00 34.13 32.72 2dwv s GLU 12 CO 0.89 -3.53 1.07 0.78 0.02 0.00 0.00 175.26 174.49 2dwv h GLY 13 N -2.45 -0.35 -3.06 -1.39 0.00 -2.04 -3.47 103.07 90.30 2dwv h GLY 13 Ca -0.47 0.14 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 2dwv h GLY 13 CO 0.38 -0.13 -0.19 1.08 0.00 0.00 0.00 176.54 177.68 2dwv s LEU 14 N -4.89 0.80 0.89 3.11 1.43 -1.26 -5.07 118.68 113.69 2dwv s LEU 14 Ca -0.02 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 2dwv s LEU 14 Cb 0.00 1.51 0.13 0.00 0.03 0.00 0.00 46.19 47.86 2dwv s LEU 14 CO 0.08 -0.82 1.10 -2.16 0.23 0.00 0.00 176.35 174.78 2dwv s PRO 15 N -3.84 1.26 -0.33 1.29 0.04 -1.26 -4.89 135.00 127.26 2dwv s PRO 15 Ca 0.05 1.13 -0.28 0.00 0.04 0.00 0.00 61.00 61.94 2dwv s PRO 15 Cb 0.03 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.76 2dwv s PRO 15 CO -0.10 -2.33 1.93 -1.25 0.04 0.00 0.00 177.00 175.29 2dwv s PRO 16 N -4.80 3.17 0.00 0.56 0.04 -1.26 -2.26 135.00 130.45 2dwv s PRO 16 Ca 0.64 1.50 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2dwv s PRO 16 Cb -0.20 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.07 2dwv s PRO 16 CO 0.58 -2.05 0.00 0.41 0.04 0.00 0.00 177.00 175.97 2dwv n GLY 17 N 5.55 1.12 3.82 0.56 0.00 -1.26 -5.11 105.19 109.86 2dwv n GLY 17 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.28 3.38 0.09 1.61 0.52 -0.96 -4.21 118.94 118.08 2dwv s TRP 18 Ca 0.00 1.58 0.05 0.00 0.02 0.00 0.00 56.10 57.75 2dwv s TRP 18 Cb 0.00 -2.82 -0.03 0.00 -1.15 0.00 0.00 33.47 29.47 2dwv s TRP 18 CO 0.00 -0.02 -0.13 -2.00 0.02 0.00 0.00 176.95 174.82 2dwv s GLU 19 N -2.95 0.85 -0.07 4.98 2.56 -1.12 -4.80 118.70 118.15 2dwv s GLU 19 Ca 0.59 -1.05 0.01 0.00 0.00 0.00 0.00 54.97 54.52 2dwv s GLU 19 Cb -0.11 -0.75 -0.03 0.00 2.00 0.00 0.00 34.13 35.25 2dwv s GLU 19 CO 0.15 0.15 -0.09 0.50 -0.56 0.00 0.00 175.26 175.41 2dwv s ARG 20 N -2.16 2.77 -0.05 4.30 3.52 -1.26 -1.57 118.95 124.49 2dwv s ARG 20 Ca 0.01 -0.60 0.06 0.00 -0.13 0.00 0.00 55.73 55.07 2dwv s ARG 20 Cb -0.07 -2.55 -0.01 0.00 -1.56 0.00 0.00 34.95 30.76 2dwv s ARG 20 CO 0.02 0.60 -0.22 0.08 -0.81 0.00 0.00 175.30 174.97 2dwv s VAL 21 N -0.65 1.78 -0.00 7.11 1.01 0.32 -4.98 120.40 125.00 2dwv s VAL 21 Ca 0.10 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.22 2dwv s VAL 21 Cb -0.11 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 2dwv s VAL 21 CO 0.01 0.50 -0.20 -1.83 0.00 0.00 0.00 175.10 173.59 2dwv s GLU 22 N -0.16 1.57 0.00 2.72 -1.05 -1.26 -1.34 118.70 119.18 2dwv s GLU 22 Ca -0.01 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.03 2dwv s GLU 22 Cb -0.12 -1.56 0.00 0.00 -0.44 0.00 0.00 34.13 32.01 2dwv s GLU 22 CO 0.02 0.42 0.00 -1.13 0.95 0.00 0.00 175.26 175.52 2dwv n SER 23 N 2.41 0.00 0.00 0.83 3.41 0.58 -4.99 113.62 115.85 2dwv n SER 23 Ca -0.16 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 2dwv n SER 23 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2dwv n SER 23 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dwv n SER 24 N -1.03 0.87 0.08 4.04 7.64 -1.26 -4.00 113.62 119.95 2dwv n SER 24 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 2dwv n SER 24 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.12 0.00 1.43 4.57 -2.06 -3.27 114.58 115.13 2dwv h GLU 25 Ca 0.00 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2dwv h GLU 25 Cb 0.94 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.56 2dwv h GLU 25 CO 0.00 -0.00 -0.04 0.74 -1.18 0.00 0.00 179.01 178.53 2dwv h PHE 26 N -0.21 0.00 0.00 0.92 0.04 -2.00 -3.50 116.94 112.19 2dwv h PHE 26 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2dwv h PHE 26 Cb 0.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.32 2dwv h PHE 26 CO -0.04 0.10 0.00 0.41 -0.60 0.00 0.00 178.31 178.18 2dwv n GLY 27 N 1.75 1.43 3.27 -1.45 0.00 -1.24 -5.03 105.19 103.93 2dwv n GLY 27 Ca -0.01 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 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 0.35 2.61 2.01 -1.26 -0.31 115.64 119.03 2dwv s THR 28 Ca 0.00 0.04 -0.06 0.00 0.31 0.00 0.00 61.69 61.98 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 0.01 0.54 -0.72 -0.69 0.00 0.00 174.62 173.76 2dwv s TYR 29 N 0.64 0.85 0.13 4.92 1.13 -0.45 -4.92 117.35 119.65 2dwv s TYR 29 Ca -0.03 -1.17 0.08 0.00 -1.41 0.00 0.00 57.07 54.54 2dwv s TYR 29 Cb -0.05 0.11 -0.04 0.00 -1.10 0.00 0.00 41.96 40.88 2dwv s TYR 29 CO -0.04 -1.21 -0.19 0.71 -2.51 0.00 0.00 175.55 172.30 2dwv s TYR 30 N -2.96 1.80 -0.02 -3.49 2.02 -0.63 -0.52 117.35 113.55 2dwv s TYR 30 Ca 0.27 -0.45 0.07 0.00 -0.37 0.00 0.00 57.07 56.59 2dwv s TYR 30 Cb -0.01 -0.94 -0.02 0.00 -0.40 0.00 0.00 41.96 40.59 2dwv s TYR 30 CO 0.18 0.27 -0.22 0.08 -1.57 0.00 0.00 175.55 174.29 2dwv s VAL 31 N -1.63 1.78 -0.48 0.71 1.01 -0.61 -1.02 120.40 120.17 2dwv s VAL 31 Ca 0.11 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 2dwv s VAL 31 Cb -0.08 -1.48 0.08 0.00 0.00 0.00 0.00 36.38 34.90 2dwv s VAL 31 CO 0.05 0.50 0.40 -0.62 0.00 0.00 0.00 175.10 175.44 2dwv s ASP 32 N -0.43 6.15 0.43 3.32 2.15 0.17 -2.79 116.67 125.67 2dwv s ASP 32 Ca 0.06 -1.35 0.18 0.00 0.43 0.00 0.00 52.55 51.87 2dwv s ASP 32 Cb -0.10 -2.19 0.97 0.00 -0.30 0.00 0.00 42.92 41.31 2dwv s ASP 32 CO -0.00 -0.66 1.91 0.45 -0.17 0.00 0.00 175.17 176.70 2dwv h HIS 33 N 8.76 0.00 -0.70 -5.34 3.86 -1.86 0.26 115.15 120.13 2dwv h HIS 33 Ca -0.29 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 58.86 2dwv h HIS 33 Cb 1.11 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.55 2dwv h HIS 33 CO 0.64 0.27 0.19 1.15 0.86 0.00 0.00 177.93 181.04 2dwv h THR 34 N 0.00 1.26 -0.00 2.45 2.02 -1.93 -3.29 112.91 113.42 2dwv h THR 34 Ca -0.00 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.25 2dwv h THR 34 Cb 0.55 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2dwv h THR 34 CO 0.03 0.36 -0.01 0.59 0.37 0.00 0.00 175.52 176.86 2dwv n ASN 35 N -4.24 1.00 -3.74 4.18 3.02 -1.17 -5.02 115.26 109.28 2dwv n ASN 35 Ca 0.05 -1.00 -0.23 0.00 -0.03 0.00 0.00 54.58 53.38 2dwv n ASN 35 Cb 0.24 0.13 0.02 0.00 -0.61 0.00 0.00 39.78 39.57 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 -4.32 -4.43 3.52 4.76 0.90 -5.02 118.16 113.52 2dwv n LYS 36 Ca 0.01 0.57 -0.21 0.00 -2.87 0.00 0.00 58.31 55.80 2dwv n LYS 36 Cb 0.04 -4.99 -0.10 0.00 -1.84 0.00 0.00 35.03 28.13 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 -6.07 1.56 0.14 1.97 0.52 -1.15 -4.97 118.95 110.96 2dwv s ARG 37 Ca 0.03 -1.79 0.10 0.00 -0.52 0.00 0.00 55.73 53.55 2dwv s ARG 37 Cb -0.01 -1.18 -0.04 0.00 0.52 0.00 0.00 34.95 34.24 2dwv s ARG 37 CO 0.83 0.04 -0.23 0.00 0.02 0.00 0.00 175.30 175.96 2dwv s ALA 38 N -2.99 2.19 0.02 2.13 0.00 -1.26 -0.65 121.76 121.19 2dwv s ALA 38 Ca 0.30 -1.44 -0.09 0.00 0.00 0.00 0.00 51.96 50.73 2dwv s ALA 38 Cb 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.86 2dwv s ALA 38 CO 0.12 0.42 0.18 1.14 0.00 0.00 0.00 175.76 177.63 2dwv s GLN 39 N -2.23 0.60 -0.28 0.00 -2.07 -0.18 -4.99 119.66 110.51 2dwv s GLN 39 Ca 0.13 -0.49 0.06 0.00 -1.82 0.00 0.00 55.36 53.24 2dwv s GLN 39 Cb -0.09 0.25 0.56 0.00 -1.09 0.00 0.00 33.01 32.64 2dwv s GLN 39 CO 0.06 -0.16 1.61 0.66 -1.32 0.00 0.00 175.29 176.14 2dwv n TYR 40 N 1.07 2.06 -3.92 9.60 4.01 -1.26 -1.60 117.16 127.11 2dwv n TYR 40 Ca -0.21 -1.16 -0.09 0.00 -0.16 0.00 0.00 57.90 56.28 2dwv n TYR 40 Cb 0.57 -0.64 -0.05 0.00 -0.31 0.00 0.00 39.34 38.90 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 -2.45 1.42 0.69 -0.72 3.03 -1.26 -5.03 118.95 114.63 2dwv s ARG 41 Ca 0.43 -1.13 -0.15 0.00 2.03 0.00 0.00 55.73 56.91 2dwv s ARG 41 Cb 0.35 0.46 0.02 0.00 -1.03 0.00 0.00 34.95 34.75 2dwv s ARG 41 CO 0.10 -0.58 1.14 -1.58 -1.13 0.00 0.00 175.30 173.25 2dwv s HIS 42 N -3.97 2.41 -0.17 5.89 2.46 -1.26 -4.70 115.29 115.94 2dwv s HIS 42 Ca 0.18 1.57 -0.01 0.00 0.47 0.00 0.00 55.06 57.27 2dwv s HIS 42 Cb 0.00 -3.27 0.06 0.00 -0.13 0.00 0.00 32.58 29.24 2dwv s HIS 42 CO 0.04 -2.02 2.28 -0.35 -2.47 0.00 0.00 174.74 172.22 2dwv n PRO 43 N -2.56 1.58 -2.34 2.88 -0.04 -1.26 -4.92 135.00 128.34 2dwv n PRO 43 Ca 0.11 -0.97 -0.43 0.00 -0.04 0.00 0.00 63.50 62.18 2dwv n PRO 43 Cb 0.51 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 2dwv n PRO 43 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dwv s SER 44 N 1.12 6.92 0.29 3.54 0.15 -1.26 -4.83 113.70 119.62 2dwv s SER 44 Ca 0.26 1.88 0.00 0.00 0.70 0.00 0.00 55.95 58.79 2dwv s SER 44 Cb 0.17 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 2dwv s SER 44 CO -0.02 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.30 2dwv n GLY 45 N 3.62 -2.40 3.77 9.45 0.00 -1.26 -4.83 105.19 113.55 2dwv n GLY 45 Ca 0.13 -1.26 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 2dwv n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dwv s PRO 46 N -2.79 4.01 -0.47 1.61 0.04 -1.26 -4.90 135.00 131.24 2dwv s PRO 46 Ca 0.00 2.21 -0.27 0.00 0.04 0.00 0.00 61.00 62.98 2dwv s PRO 46 Cb 0.00 -2.80 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 2dwv s PRO 46 CO 0.00 -0.48 1.98 -1.54 0.04 0.00 0.00 177.00 177.00 2dwv s SER 47 N -0.65 5.30 0.44 6.66 1.04 -1.26 -4.86 113.70 120.37 2dwv s SER 47 Ca 0.56 0.90 0.27 0.00 0.48 0.00 0.00 55.95 58.16 2dwv s SER 47 Cb -0.39 -2.52 1.49 0.00 0.10 0.00 0.00 66.02 64.69 2dwv s SER 47 CO 0.51 -2.24 1.83 -1.28 0.98 0.00 0.00 173.24 173.03 2dwv h SER 48 N 15.27 0.00 0.00 7.02 0.87 -1.96 -3.55 113.55 131.20 2dwv h SER 48 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2dwv h SER 48 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2dwv h SER 48 CO 1.13 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 178.04