#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 0.00 -3.92 1.61 7.64 -1.26 -4.54 113.62 113.16 2dwv n SER 2 Ca 0.00 -0.05 -0.42 0.00 1.01 0.00 0.00 58.87 59.40 2dwv n SER 2 Cb 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2dwv n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dwv n SER 3 N -0.32 4.25 -3.68 6.43 2.88 -1.26 -4.83 113.62 117.09 2dwv n SER 3 Ca 0.00 -2.89 0.02 0.00 -1.33 0.00 0.00 58.87 54.67 2dwv n SER 3 Cb 0.00 -1.65 0.00 0.00 -0.75 0.00 0.00 64.21 61.81 2dwv n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dwv s GLY 4 N 3.08 -0.28 0.70 0.46 0.00 -1.26 -5.16 107.32 104.85 2dwv s GLY 4 Ca 0.47 0.40 -0.12 0.00 0.00 0.00 0.00 44.72 45.47 2dwv s GLY 4 CO -0.05 2.28 1.08 -0.45 0.00 0.00 0.00 173.10 175.96 2dwv s SER 5 N -3.31 5.12 0.29 1.64 0.15 -1.26 -4.94 113.70 111.39 2dwv s SER 5 Ca 0.20 1.78 0.00 0.00 0.70 0.00 0.00 55.95 58.63 2dwv s SER 5 Cb 0.03 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2dwv s SER 5 CO -0.02 -1.62 0.00 -0.24 1.20 0.00 0.00 173.24 172.56 2dwv n SER 6 N -2.97 -1.99 -3.66 5.45 2.88 -1.26 -5.15 113.62 106.92 2dwv n SER 6 Ca 0.09 0.55 -0.01 0.00 -1.33 0.00 0.00 58.87 58.17 2dwv n SER 6 Cb 0.53 2.00 -0.01 0.00 -0.75 0.00 0.00 64.21 65.98 2dwv n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dwv s GLY 7 N -2.82 -0.35 0.05 0.46 0.00 -1.26 -5.07 107.32 98.32 2dwv s GLY 7 Ca 0.00 0.56 -0.19 0.00 0.00 0.00 0.00 44.72 45.09 2dwv s GLY 7 CO 0.00 0.11 1.33 -0.56 0.00 0.00 0.00 173.10 173.97 2dwv h PRO 8 N 2.00 0.46 0.00 2.90 0.13 -2.02 -3.48 132.00 131.99 2dwv h PRO 8 Ca -0.27 -0.27 -0.30 0.00 -0.87 0.00 0.00 66.00 64.29 2dwv h PRO 8 Cb 1.21 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.29 2dwv h PRO 8 CO 0.27 0.86 -0.17 1.47 -0.23 0.00 0.00 178.00 180.21 2dwv n LEU 9 N -4.43 0.00 0.00 1.56 -0.00 -1.26 -4.99 117.00 107.88 2dwv n LEU 9 Ca -0.06 -2.92 -0.10 0.00 -0.00 0.00 0.00 56.01 52.93 2dwv n LEU 9 Cb 0.44 2.53 0.05 0.00 -0.00 0.00 0.00 43.42 46.43 2dwv n LEU 9 CO 0.42 -0.66 0.23 -0.62 -0.00 0.00 0.00 177.39 176.77 2dwv n GLU 10 N -0.59 0.39 -2.86 1.47 -0.58 -1.26 -5.08 120.64 112.13 2dwv n GLU 10 Ca 0.01 -1.25 -0.12 0.00 -0.42 0.00 0.00 57.16 55.38 2dwv n GLU 10 Cb 0.60 -0.26 0.03 0.00 -0.57 0.00 0.00 31.44 31.23 2dwv n GLU 10 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2dwv n ARG 11 N -1.78 1.08 -0.74 3.49 1.85 -1.26 -5.13 116.66 114.17 2dwv n ARG 11 Ca 0.07 -2.98 -0.18 0.00 -1.00 0.00 0.00 57.85 53.76 2dwv n ARG 11 Cb 0.26 -1.23 0.15 0.00 -1.05 0.00 0.00 32.46 30.59 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 0.03 -1.99 -0.78 2.89 1.02 -1.26 -5.02 120.64 115.53 2dwv n GLU 12 Ca 0.13 -1.10 -0.31 0.00 -0.02 0.00 0.00 57.16 55.86 2dwv n GLU 12 Cb 0.76 -0.96 0.16 0.00 -0.02 0.00 0.00 31.44 31.38 2dwv n GLU 12 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2dwv s GLY 13 N -3.91 1.68 0.71 0.62 0.00 -1.26 -4.99 107.32 100.17 2dwv s GLY 13 Ca 0.44 0.52 -0.14 0.00 0.00 0.00 0.00 44.72 45.53 2dwv s GLY 13 CO 0.33 0.93 1.13 1.08 0.00 0.00 0.00 173.10 176.58 2dwv s LEU 14 N -6.52 3.28 0.75 0.66 1.43 -1.26 -5.01 118.68 112.01 2dwv s LEU 14 Ca 0.66 2.08 -0.12 0.00 -1.03 0.00 0.00 54.13 55.72 2dwv s LEU 14 Cb -0.22 -4.56 0.05 0.00 0.03 0.00 0.00 46.19 41.49 2dwv s LEU 14 CO 0.58 -1.95 1.11 -2.16 0.23 0.00 0.00 176.35 174.16 2dwv s PRO 15 N -4.20 2.29 -0.13 1.29 0.04 -1.26 -4.91 135.00 128.12 2dwv s PRO 15 Ca 0.68 1.32 -0.29 0.00 0.04 0.00 0.00 61.00 62.75 2dwv s PRO 15 Cb -0.22 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 2dwv s PRO 15 CO 0.46 -1.64 1.78 -1.25 0.04 0.00 0.00 177.00 176.38 2dwv s PRO 16 N -4.55 3.87 0.00 0.56 0.04 -1.26 -1.92 135.00 131.74 2dwv s PRO 16 Ca 0.65 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.71 2dwv s PRO 16 Cb -0.20 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.25 2dwv s PRO 16 CO 0.51 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.73 2dwv n GLY 17 N 4.65 1.43 3.82 0.56 0.00 -1.26 -5.12 105.19 109.26 2dwv n GLY 17 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.88 2.90 0.03 1.61 0.52 -0.81 -2.94 118.94 118.36 2dwv s TRP 18 Ca 0.00 -0.27 -0.11 0.00 0.02 0.00 0.00 56.10 55.74 2dwv s TRP 18 Cb 0.00 -1.66 0.01 0.00 -1.15 0.00 0.00 33.47 30.67 2dwv s TRP 18 CO 0.00 0.30 0.23 -2.00 0.02 0.00 0.00 176.95 175.49 2dwv s GLU 19 N -3.92 0.68 -0.18 4.98 2.56 -1.02 -4.86 118.70 116.93 2dwv s GLU 19 Ca 0.38 -0.50 0.00 0.00 0.00 0.00 0.00 54.97 54.86 2dwv s GLU 19 Cb -0.06 0.29 0.01 0.00 2.00 0.00 0.00 34.13 36.37 2dwv s GLU 19 CO 0.25 -0.20 -0.17 0.50 -0.56 0.00 0.00 175.26 175.08 2dwv s ARG 20 N -2.18 3.07 0.12 4.30 3.52 -1.26 -1.84 118.95 124.69 2dwv s ARG 20 Ca -0.08 -0.79 -0.21 0.00 -0.13 0.00 0.00 55.73 54.51 2dwv s ARG 20 Cb -0.03 -2.63 -0.07 0.00 -1.56 0.00 0.00 34.95 30.66 2dwv s ARG 20 CO -0.02 -0.17 0.66 0.08 -0.81 0.00 0.00 175.30 175.04 2dwv s VAL 21 N 1.23 4.60 -0.42 7.11 1.01 0.33 -4.95 120.40 129.29 2dwv s VAL 21 Ca 0.03 1.38 0.02 0.00 0.00 0.00 0.00 61.98 63.41 2dwv s VAL 21 Cb -0.14 -3.97 0.13 0.00 0.00 0.00 0.00 36.38 32.40 2dwv s VAL 21 CO -0.09 0.49 0.21 -1.61 0.00 0.00 0.00 175.10 174.10 2dwv s GLU 22 N -1.25 1.30 0.11 2.72 2.02 -1.26 -1.91 118.70 120.42 2dwv s GLU 22 Ca 0.33 -1.93 0.07 0.00 0.02 0.00 0.00 54.97 53.46 2dwv s GLU 22 Cb -0.20 -2.47 -0.03 0.00 0.10 0.00 0.00 34.13 31.52 2dwv s GLU 22 CO 0.22 -1.11 -0.17 -1.12 0.02 0.00 0.00 175.26 173.10 2dwv s SER 23 N 0.50 2.16 -0.02 -0.19 0.01 -1.17 -5.00 113.70 109.99 2dwv s SER 23 Ca 0.16 -0.72 0.13 0.00 1.31 0.00 0.00 55.95 56.82 2dwv s SER 23 Cb -0.23 -0.10 -0.22 0.00 0.21 0.00 0.00 66.02 65.68 2dwv s SER 23 CO -0.04 -0.05 0.73 0.28 0.41 0.00 0.00 173.24 174.57 2dwv h SER 24 N 3.88 0.00 -0.73 2.44 0.02 -1.99 -1.27 113.55 115.89 2dwv h SER 24 Ca -0.42 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.50 2dwv h SER 24 Cb 1.19 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.70 2dwv h SER 24 CO 0.44 0.95 0.37 -0.08 -1.14 0.00 0.00 176.83 177.37 2dwv h GLU 25 N 0.00 1.06 0.00 3.45 4.57 -2.05 -3.36 114.58 118.24 2dwv h GLU 25 Ca -0.25 -0.14 -0.05 0.00 -1.18 0.00 0.00 59.36 57.74 2dwv h GLU 25 Cb 1.95 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 30.33 2dwv h GLU 25 CO 0.08 0.81 -1.20 1.19 -1.18 0.00 0.00 179.01 178.70 2dwv n PHE 26 N -4.33 0.00 0.00 0.92 3.72 -1.26 -5.15 117.46 111.36 2dwv n PHE 26 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 2dwv n PHE 26 Cb 0.13 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 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 3.30 0.37 3.63 1.37 0.00 -0.48 -5.01 105.19 108.36 2dwv n GLY 27 Ca -0.06 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.28 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 -0.35 4.72 0.37 2.61 2.01 -1.26 -3.05 115.64 120.70 2dwv s THR 28 Ca 0.00 1.41 0.06 0.00 0.31 0.00 0.00 61.69 63.47 2dwv s THR 28 Cb 0.00 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 2dwv s THR 28 CO 0.00 -0.28 0.24 0.00 -0.69 0.00 0.00 174.62 173.89 2dwv n TYR 29 N 6.34 -0.44 -4.21 4.92 4.11 -0.80 -4.96 117.16 122.11 2dwv n TYR 29 Ca 0.06 -2.81 -0.15 0.00 -0.00 0.00 0.00 57.90 55.00 2dwv n TYR 29 Cb 0.48 0.18 -0.11 0.00 -0.00 0.00 0.00 39.34 39.89 2dwv n TYR 29 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 2dwv s TYR 30 N -3.29 1.22 0.01 -3.48 1.51 -0.22 -0.52 117.35 112.58 2dwv s TYR 30 Ca 0.33 -0.64 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 2dwv s TYR 30 Cb 0.02 -0.64 -0.01 0.00 -0.11 0.00 0.00 41.96 41.22 2dwv s TYR 30 CO 0.24 0.07 -0.02 0.08 -1.11 0.00 0.00 175.55 174.80 2dwv s VAL 31 N -2.54 0.15 -0.26 0.71 1.01 -0.77 -0.74 120.40 117.96 2dwv s VAL 31 Ca 0.09 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 2dwv s VAL 31 Cb -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 2dwv s VAL 31 CO 0.01 -0.14 0.08 -0.62 0.00 0.00 0.00 175.10 174.43 2dwv s ASP 32 N -0.54 5.19 0.45 3.32 2.15 -0.22 -2.43 116.67 124.59 2dwv s ASP 32 Ca -0.05 -0.31 0.25 0.00 0.43 0.00 0.00 52.55 52.88 2dwv s ASP 32 Cb -0.04 -1.93 0.78 0.00 -0.30 0.00 0.00 42.92 41.43 2dwv s ASP 32 CO -0.00 -0.08 1.76 0.45 -0.17 0.00 0.00 175.17 177.13 2dwv h HIS 33 N 8.25 0.00 -0.57 -5.34 3.86 -1.85 0.46 115.15 119.96 2dwv h HIS 33 Ca -0.37 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 58.77 2dwv h HIS 33 Cb 1.16 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.61 2dwv h HIS 33 CO 0.66 0.13 0.09 1.15 0.86 0.00 0.00 177.93 180.81 2dwv h THR 34 N 0.00 1.26 0.00 2.45 2.02 -1.95 -3.33 112.91 113.36 2dwv h THR 34 Ca -0.00 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.19 2dwv h THR 34 Cb 0.83 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 2dwv h THR 34 CO 0.02 0.36 0.00 0.59 0.37 0.00 0.00 175.52 176.86 2dwv n ASN 35 N -4.33 0.69 -3.59 4.18 3.02 -1.24 -5.03 115.26 108.97 2dwv n ASN 35 Ca 0.02 -0.89 -0.21 0.00 -0.03 0.00 0.00 54.58 53.47 2dwv n ASN 35 Cb 0.27 0.16 0.07 0.00 -0.61 0.00 0.00 39.78 39.67 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 -0.16 -6.39 -5.04 3.52 4.76 0.14 -5.01 118.16 109.99 2dwv n LYS 36 Ca 0.00 0.76 -0.32 0.00 -2.87 0.00 0.00 58.31 55.88 2dwv n LYS 36 Cb 0.03 -5.66 -0.14 0.00 -1.84 0.00 0.00 35.03 27.42 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 -5.86 2.39 0.12 1.97 0.52 -1.16 -4.95 118.95 111.98 2dwv s ARG 37 Ca 0.20 -0.78 0.04 0.00 -0.52 0.00 0.00 55.73 54.67 2dwv s ARG 37 Cb -0.09 -2.27 -0.04 0.00 0.52 0.00 0.00 34.95 33.07 2dwv s ARG 37 CO 0.76 0.59 0.10 0.00 0.02 0.00 0.00 175.30 176.77 2dwv s ALA 38 N -0.66 3.54 0.18 2.13 0.00 -1.26 -1.05 121.76 124.64 2dwv s ALA 38 Ca 0.10 -1.11 -0.19 0.00 0.00 0.00 0.00 51.96 50.76 2dwv s ALA 38 Cb -0.11 -1.38 0.04 0.00 0.00 0.00 0.00 23.12 21.67 2dwv s ALA 38 CO 0.00 0.64 0.54 1.14 0.00 0.00 0.00 175.76 178.08 2dwv s GLN 39 N -2.69 1.35 -0.19 0.00 -2.07 0.09 -4.98 119.66 111.16 2dwv s GLN 39 Ca 0.30 -0.76 0.15 0.00 -1.82 0.00 0.00 55.36 53.23 2dwv s GLN 39 Cb -0.11 0.54 0.66 0.00 -1.09 0.00 0.00 33.01 33.01 2dwv s GLN 39 CO 0.22 -0.58 1.58 0.66 -1.32 0.00 0.00 175.29 175.85 2dwv n TYR 40 N -0.34 1.46 -4.12 9.60 4.01 -1.26 -1.06 117.16 125.44 2dwv n TYR 40 Ca -0.12 -0.77 -0.13 0.00 -0.16 0.00 0.00 57.90 56.72 2dwv n TYR 40 Cb 0.63 -0.38 -0.11 0.00 -0.31 0.00 0.00 39.34 39.17 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 -2.62 0.70 0.28 -0.72 3.03 -1.26 -5.00 118.95 113.37 2dwv s ARG 41 Ca 0.48 -1.03 -0.30 0.00 2.03 0.00 0.00 55.73 56.91 2dwv s ARG 41 Cb 0.36 -0.35 -0.10 0.00 -1.03 0.00 0.00 34.95 33.83 2dwv s ARG 41 CO 0.14 0.04 1.40 -1.58 -1.13 0.00 0.00 175.30 174.17 2dwv s HIS 42 N -2.27 3.01 -0.98 5.89 5.65 -1.26 -4.82 115.29 120.52 2dwv s HIS 42 Ca 0.00 1.15 -0.17 0.00 0.25 0.00 0.00 55.06 56.30 2dwv s HIS 42 Cb -0.04 -3.78 -0.09 0.00 -1.18 0.00 0.00 32.58 27.48 2dwv s HIS 42 CO -0.01 -2.43 2.07 -0.35 -0.65 0.00 0.00 174.74 173.37 2dwv n PRO 43 N 1.81 1.99 -3.82 2.88 -0.04 -1.26 -4.81 135.00 131.74 2dwv n PRO 43 Ca 0.04 -1.93 -0.07 0.00 -0.04 0.00 0.00 63.50 61.50 2dwv n PRO 43 Cb 0.41 -2.89 0.01 0.00 -0.04 0.00 0.00 33.50 30.99 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 4.19 -0.05 0.70 3.54 0.15 -1.26 -4.95 113.70 116.02 2dwv s SER 44 Ca 0.52 -0.96 -0.08 0.00 0.70 0.00 0.00 55.95 56.14 2dwv s SER 44 Cb 0.14 0.77 0.05 0.00 -1.71 0.00 0.00 66.02 65.27 2dwv s SER 44 CO 0.04 -1.51 1.03 -0.83 1.20 0.00 0.00 173.24 173.17 2dwv s GLY 45 N -3.08 1.65 0.09 9.45 0.00 -1.26 -5.00 107.32 109.17 2dwv s GLY 45 Ca 0.15 -0.78 0.27 0.00 0.00 0.00 0.00 44.72 44.36 2dwv s GLY 45 CO 0.09 -0.39 1.74 -1.55 0.00 0.00 0.00 173.10 172.99 2dwv n PRO 46 N -2.93 0.13 -3.04 2.90 -0.04 -1.26 -4.85 135.00 125.91 2dwv n PRO 46 Ca 0.07 0.09 -0.07 0.00 -0.04 0.00 0.00 63.50 63.55 2dwv n PRO 46 Cb 0.60 -1.63 0.02 0.00 -0.04 0.00 0.00 33.50 32.44 2dwv n PRO 46 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dwv n SER 47 N -1.85 -1.61 -1.46 3.54 3.41 -1.26 -4.79 113.62 109.59 2dwv n SER 47 Ca 0.06 -2.18 -0.19 0.00 -0.26 0.00 0.00 58.87 56.30 2dwv n SER 47 Cb 0.38 2.71 -0.08 0.00 -0.26 0.00 0.00 64.21 66.96 2dwv n SER 47 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dwv n SER 48 N -1.42 -5.47 0.00 4.04 2.88 -1.26 -5.15 113.62 107.24 2dwv n SER 48 Ca -0.06 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 2dwv n SER 48 Cb 0.43 -4.65 0.00 0.00 -0.75 0.00 0.00 64.21 59.24 2dwv n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42