#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 6.46 -0.37 1.61 0.01 -1.26 -5.03 113.70 115.13 2dwv s SER 2 Ca 0.00 0.16 -0.14 0.00 1.31 0.00 0.00 55.95 57.28 2dwv s SER 2 Cb 0.00 -2.36 -0.00 0.00 0.21 0.00 0.00 66.02 63.87 2dwv s SER 2 CO 0.00 -0.70 0.26 -0.94 0.41 0.00 0.00 173.24 172.28 2dwv s SER 3 N 1.87 6.08 0.06 2.44 1.04 -1.26 -5.03 113.70 118.89 2dwv s SER 3 Ca 0.27 -0.61 -0.02 0.00 0.48 0.00 0.00 55.95 56.07 2dwv s SER 3 Cb -0.14 -2.15 0.01 0.00 0.10 0.00 0.00 66.02 63.85 2dwv s SER 3 CO 0.17 -0.32 0.12 0.61 0.98 0.00 0.00 173.24 174.79 2dwv n GLY 4 N 5.13 1.81 3.83 7.32 0.00 -1.26 -5.20 105.19 116.82 2dwv n GLY 4 Ca -0.12 -1.04 -0.05 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.30 -0.07 -0.10 1.61 0.01 -1.26 -5.07 113.70 107.52 2dwv s SER 5 Ca 0.02 -0.71 0.14 0.00 1.31 0.00 0.00 55.95 56.71 2dwv s SER 5 Cb -0.01 0.61 0.28 0.00 0.21 0.00 0.00 66.02 67.11 2dwv s SER 5 CO 0.02 -1.18 1.14 -1.20 0.41 0.00 0.00 173.24 172.42 2dwv n SER 6 N -0.98 1.38 0.00 2.44 7.64 -1.26 -5.12 113.62 117.71 2dwv n SER 6 Ca -0.05 -2.84 0.00 0.00 1.01 0.00 0.00 58.87 56.99 2dwv n SER 6 Cb 0.60 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 2dwv n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dwv n GLY 7 N -0.65 0.81 0.19 0.23 0.00 -1.26 -4.85 105.19 99.66 2dwv n GLY 7 Ca 0.11 -2.31 -0.12 0.00 0.00 0.00 0.00 46.02 43.70 2dwv n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dwv h PRO 8 N 8.88 0.55 -2.96 1.61 0.13 -2.03 -3.47 132.00 134.70 2dwv h PRO 8 Ca 0.00 -0.44 0.02 0.00 -0.87 0.00 0.00 66.00 64.70 2dwv h PRO 8 Cb 0.00 0.09 -0.10 0.00 0.13 0.00 0.00 31.00 31.12 2dwv h PRO 8 CO 0.00 1.07 0.23 -0.48 -0.23 0.00 0.00 178.00 178.59 2dwv s LEU 9 N -8.14 -0.46 0.35 1.56 0.05 -1.26 -5.01 118.68 105.76 2dwv s LEU 9 Ca -0.07 -0.19 0.03 0.00 0.05 0.00 0.00 54.13 53.95 2dwv s LEU 9 Cb 0.10 2.61 -0.04 0.00 -2.05 0.00 0.00 46.19 46.80 2dwv s LEU 9 CO 0.86 -1.07 0.10 -1.61 -0.55 0.00 0.00 176.35 174.09 2dwv s GLU 10 N -3.76 1.72 -0.48 1.48 8.01 -1.26 -5.10 118.70 119.30 2dwv s GLU 10 Ca 0.04 -2.00 0.07 0.00 0.01 0.00 0.00 54.97 53.10 2dwv s GLU 10 Cb -0.02 -0.61 0.26 0.00 -4.31 0.00 0.00 34.13 29.45 2dwv s GLU 10 CO -0.07 -0.34 0.62 0.54 0.01 0.00 0.00 175.26 176.02 2dwv n ARG 11 N -0.73 1.43 -4.19 1.61 1.74 -1.26 -5.09 116.66 110.18 2dwv n ARG 11 Ca -0.03 -3.79 -0.15 0.00 -0.77 0.00 0.00 57.85 53.12 2dwv n ARG 11 Cb 0.66 -1.63 -0.08 0.00 -1.02 0.00 0.00 32.46 30.39 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 -1.75 1.55 0.00 5.56 2.02 -1.26 -5.18 118.70 119.64 2dwv s GLU 12 Ca 0.37 -1.75 0.00 0.00 0.02 0.00 0.00 54.97 53.62 2dwv s GLU 12 Cb 0.17 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.74 2dwv s GLU 12 CO -0.07 -0.58 0.00 0.41 0.02 0.00 0.00 175.26 175.04 2dwv n GLY 13 N -0.45 0.03 3.32 -1.39 0.00 -1.26 -5.13 105.19 100.31 2dwv n GLY 13 Ca 0.03 -1.79 -0.21 0.00 0.00 0.00 0.00 46.02 44.05 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 2.43 0.80 0.99 1.43 -1.26 -5.04 118.68 118.03 2dwv s LEU 14 Ca 0.00 -0.85 -0.11 0.00 -1.03 0.00 0.00 54.13 52.14 2dwv s LEU 14 Cb 0.00 -0.81 0.07 0.00 0.03 0.00 0.00 46.19 45.49 2dwv s LEU 14 CO 0.00 -0.04 1.09 -2.16 0.23 0.00 0.00 176.35 175.47 2dwv s PRO 15 N -2.77 2.03 0.02 1.29 0.04 -1.26 -4.92 135.00 129.44 2dwv s PRO 15 Ca 0.15 0.93 -0.30 0.00 0.04 0.00 0.00 61.00 61.82 2dwv s PRO 15 Cb -0.06 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.51 2dwv s PRO 15 CO 0.06 -1.73 1.82 -1.25 0.04 0.00 0.00 177.00 175.94 2dwv s PRO 16 N -4.98 4.16 0.00 0.56 0.04 -1.26 -1.81 135.00 131.71 2dwv s PRO 16 Ca 0.61 2.45 0.00 0.00 0.04 0.00 0.00 61.00 64.10 2dwv s PRO 16 Cb -0.16 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.40 2dwv s PRO 16 CO 0.56 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 177.13 2dwv n GLY 17 N 4.32 1.89 3.89 0.56 0.00 -1.26 -5.09 105.19 109.50 2dwv n GLY 17 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.40 3.45 0.11 1.61 0.52 -0.75 -4.13 118.94 117.34 2dwv s TRP 18 Ca 0.00 0.75 0.05 0.00 0.02 0.00 0.00 56.10 56.92 2dwv s TRP 18 Cb 0.00 -2.17 -0.04 0.00 -1.15 0.00 0.00 33.47 30.12 2dwv s TRP 18 CO 0.00 0.28 -0.12 -2.00 0.02 0.00 0.00 176.95 175.13 2dwv s GLU 19 N -2.95 0.94 -0.11 4.98 2.56 -1.15 -4.78 118.70 118.18 2dwv s GLU 19 Ca 0.45 -1.19 0.01 0.00 0.00 0.00 0.00 54.97 54.24 2dwv s GLU 19 Cb -0.11 -0.74 0.02 0.00 2.00 0.00 0.00 34.13 35.29 2dwv s GLU 19 CO 0.24 0.13 -0.14 0.50 -0.56 0.00 0.00 175.26 175.43 2dwv s ARG 20 N -2.68 2.12 -0.29 4.30 3.52 -1.26 -1.08 118.95 123.57 2dwv s ARG 20 Ca 0.07 -0.52 -0.07 0.00 -0.13 0.00 0.00 55.73 55.08 2dwv s ARG 20 Cb -0.04 -1.84 0.01 0.00 -1.56 0.00 0.00 34.95 31.52 2dwv s ARG 20 CO 0.02 -0.09 0.08 0.08 -0.81 0.00 0.00 175.30 174.58 2dwv s VAL 21 N 1.07 3.96 -0.20 7.11 1.01 0.45 -4.99 120.40 128.81 2dwv s VAL 21 Ca -0.05 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 2dwv s VAL 21 Cb -0.15 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 2dwv s VAL 21 CO -0.03 0.09 0.20 -1.61 0.00 0.00 0.00 175.10 173.75 2dwv s GLU 22 N 1.50 4.17 0.13 2.72 2.02 -1.26 -1.59 118.70 126.39 2dwv s GLU 22 Ca 0.03 -0.13 0.03 0.00 0.02 0.00 0.00 54.97 54.92 2dwv s GLU 22 Cb -0.17 -3.46 -0.01 0.00 0.10 0.00 0.00 34.13 30.58 2dwv s GLU 22 CO 0.02 0.19 0.11 0.43 0.02 0.00 0.00 175.26 176.03 2dwv n SER 23 N 3.82 -0.26 -0.02 -0.19 7.64 -0.22 -5.00 113.62 119.38 2dwv n SER 23 Ca -0.14 -1.84 -0.04 0.00 1.01 0.00 0.00 58.87 57.86 2dwv n SER 23 Cb 0.52 0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 64.34 2dwv n SER 23 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dwv n SER 24 N -2.49 2.34 0.24 6.43 7.64 -1.26 -3.92 113.62 122.60 2dwv n SER 24 Ca 0.03 0.01 0.16 0.00 1.01 0.00 0.00 58.87 60.08 2dwv n SER 24 Cb 0.23 -0.10 0.63 0.00 -1.01 0.00 0.00 64.21 63.96 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 -0.07 0.00 0.00 1.43 4.57 -2.04 -3.33 114.58 115.13 2dwv h GLU 25 Ca -0.11 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2dwv h GLU 25 Cb 1.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 2dwv h GLU 25 CO -0.04 0.00 -0.55 1.19 -1.18 0.00 0.00 179.01 178.43 2dwv n PHE 26 N -2.90 0.00 0.00 0.92 3.72 -1.26 -5.11 117.46 112.82 2dwv n PHE 26 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2dwv n PHE 26 Cb 0.30 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 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 1.41 1.05 3.55 1.37 0.00 -1.25 -4.92 105.19 106.40 2dwv n GLY 27 Ca 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 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 0.23 2.61 2.01 -1.26 -1.06 115.64 118.17 2dwv s THR 28 Ca 0.00 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.93 2dwv s THR 28 Cb 0.00 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 2dwv s THR 28 CO 0.00 0.00 0.32 -0.72 -0.69 0.00 0.00 174.62 173.53 2dwv s TYR 29 N 0.39 0.77 0.17 4.92 1.13 -0.62 -4.86 117.35 119.25 2dwv s TYR 29 Ca -0.00 -1.05 0.11 0.00 -1.41 0.00 0.00 57.07 54.71 2dwv s TYR 29 Cb -0.05 -0.16 -0.04 0.00 -1.10 0.00 0.00 41.96 40.61 2dwv s TYR 29 CO 0.00 -0.85 -0.23 0.71 -2.51 0.00 0.00 175.55 172.67 2dwv s TYR 30 N -4.02 2.34 -0.04 -3.49 2.02 0.61 -0.41 117.35 114.36 2dwv s TYR 30 Ca 0.30 -0.35 0.04 0.00 -0.37 0.00 0.00 57.07 56.70 2dwv s TYR 30 Cb 0.03 -1.20 -0.00 0.00 -0.40 0.00 0.00 41.96 40.39 2dwv s TYR 30 CO 0.11 0.45 -0.18 0.08 -1.57 0.00 0.00 175.55 174.44 2dwv s VAL 31 N -1.47 1.49 -0.45 0.71 1.01 -0.24 -0.63 120.40 120.82 2dwv s VAL 31 Ca 0.19 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 2dwv s VAL 31 Cb -0.09 -1.28 0.06 0.00 0.00 0.00 0.00 36.38 35.08 2dwv s VAL 31 CO 0.09 0.43 0.34 -0.62 0.00 0.00 0.00 175.10 175.34 2dwv s ASP 32 N 0.02 6.02 0.21 3.32 2.15 -0.09 -2.94 116.67 125.35 2dwv s ASP 32 Ca -0.04 -1.27 0.23 0.00 0.43 0.00 0.00 52.55 51.90 2dwv s ASP 32 Cb -0.12 -2.13 0.91 0.00 -0.30 0.00 0.00 42.92 41.28 2dwv s ASP 32 CO 0.02 -0.58 1.70 1.41 -0.17 0.00 0.00 175.17 177.55 2dwv n HIS 33 N 5.13 0.69 0.03 -5.34 8.25 -1.26 -1.20 115.22 121.52 2dwv n HIS 33 Ca -0.12 0.26 -0.18 0.00 -0.26 0.00 0.00 57.72 57.42 2dwv n HIS 33 Cb 0.44 -0.91 -0.08 0.00 1.12 0.00 0.00 29.99 30.56 2dwv n HIS 33 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2dwv h THR 34 N 0.00 1.30 0.00 1.59 2.02 -1.92 -3.36 112.91 112.53 2dwv h THR 34 Ca 0.00 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 64.99 2dwv h THR 34 Cb 0.41 2.26 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 2dwv h THR 34 CO 0.00 0.68 0.00 0.59 0.37 0.00 0.00 175.52 177.16 2dwv n ASN 35 N -3.86 1.43 -3.62 4.18 3.02 -1.22 -5.02 115.26 110.16 2dwv n ASN 35 Ca -0.09 -1.64 -0.22 0.00 -0.03 0.00 0.00 54.58 52.60 2dwv n ASN 35 Cb 0.83 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 40.04 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 -0.32 -3.74 -5.12 3.52 4.76 -0.34 -5.02 118.16 111.90 2dwv n LYS 36 Ca 0.00 0.63 -0.30 0.00 -2.87 0.00 0.00 58.31 55.77 2dwv n LYS 36 Cb 0.26 -5.07 -0.16 0.00 -1.84 0.00 0.00 35.03 28.21 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 -5.71 2.33 -0.13 1.97 0.52 -1.13 -4.97 118.95 111.83 2dwv s ARG 37 Ca 0.18 -0.81 -0.11 0.00 -0.52 0.00 0.00 55.73 54.47 2dwv s ARG 37 Cb -0.05 -1.97 -0.05 0.00 0.52 0.00 0.00 34.95 33.41 2dwv s ARG 37 CO 0.81 0.32 0.22 0.00 0.02 0.00 0.00 175.30 176.67 2dwv s ALA 38 N -0.06 3.74 0.04 2.13 0.00 -1.26 -0.92 121.76 125.43 2dwv s ALA 38 Ca -0.05 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2dwv s ALA 38 Cb -0.13 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.77 2dwv s ALA 38 CO 0.04 0.37 -0.04 1.14 0.00 0.00 0.00 175.76 177.26 2dwv s GLN 39 N -0.36 0.47 -0.12 0.00 -2.07 0.20 -4.99 119.66 112.79 2dwv s GLN 39 Ca 0.15 -0.86 0.15 0.00 -1.82 0.00 0.00 55.36 52.98 2dwv s GLN 39 Cb -0.13 0.05 0.64 0.00 -1.09 0.00 0.00 33.01 32.49 2dwv s GLN 39 CO 0.04 -0.05 1.53 0.66 -1.32 0.00 0.00 175.29 176.15 2dwv n TYR 40 N 1.03 1.40 -4.06 9.60 4.01 -1.26 -0.29 117.16 127.59 2dwv n TYR 40 Ca -0.20 -0.54 -0.07 0.00 -0.16 0.00 0.00 57.90 56.93 2dwv n TYR 40 Cb 0.57 -0.27 -0.10 0.00 -0.31 0.00 0.00 39.34 39.24 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 -1.94 0.58 0.41 -0.72 3.03 -1.26 -4.96 118.95 114.09 2dwv s ARG 41 Ca 0.45 -1.11 -0.26 0.00 2.03 0.00 0.00 55.73 56.84 2dwv s ARG 41 Cb 0.30 0.20 -0.10 0.00 -1.03 0.00 0.00 34.95 34.32 2dwv s ARG 41 CO 0.20 -0.11 1.38 1.58 -1.13 0.00 0.00 175.30 177.22 2dwv n HIS 42 N 0.33 2.55 -2.15 5.89 -0.00 -1.26 -4.78 115.22 115.79 2dwv n HIS 42 Ca -0.16 0.47 -0.34 0.00 -0.00 0.00 0.00 57.72 57.70 2dwv n HIS 42 Cb 0.60 -2.45 -0.04 0.00 -0.00 0.00 0.00 29.99 28.11 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 -2.23 2.76 0.47 1.57 0.04 -1.26 -4.85 135.00 131.50 2dwv s PRO 43 Ca 0.59 -0.07 0.29 0.00 0.04 0.00 0.00 61.00 61.84 2dwv s PRO 43 Cb -0.49 -4.78 1.36 0.00 0.04 0.00 0.00 34.50 30.63 2dwv s PRO 43 CO 0.60 -2.90 1.75 0.77 0.04 0.00 0.00 177.00 177.26 2dwv h SER 44 N 12.29 0.22 -4.29 6.66 0.02 -1.99 -3.44 113.55 123.03 2dwv h SER 44 Ca -0.05 0.06 0.19 0.00 -0.84 0.00 0.00 61.79 61.14 2dwv h SER 44 Cb 1.07 0.03 -0.19 0.00 0.14 0.00 0.00 62.40 63.44 2dwv h SER 44 CO 1.25 0.00 0.68 -0.83 -1.14 0.00 0.00 176.83 176.80 2dwv s GLY 45 N -3.97 -0.32 0.17 -3.77 0.00 -1.26 -5.02 107.32 93.15 2dwv s GLY 45 Ca -0.07 1.54 0.24 0.00 0.00 0.00 0.00 44.72 46.43 2dwv s GLY 45 CO 0.81 0.57 1.73 -1.55 0.00 0.00 0.00 173.10 174.66 2dwv n PRO 46 N -0.00 0.17 -3.86 2.90 -0.04 -1.26 -4.86 135.00 128.05 2dwv n PRO 46 Ca -0.04 0.27 -0.04 0.00 -0.04 0.00 0.00 63.50 63.65 2dwv n PRO 46 Cb 0.59 -1.75 0.02 0.00 -0.04 0.00 0.00 33.50 32.32 2dwv n PRO 46 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dwv s SER 47 N -4.01 -0.02 -0.03 3.54 0.01 -1.26 -5.10 113.70 106.83 2dwv s SER 47 Ca 0.08 -0.72 0.05 0.00 1.31 0.00 0.00 55.95 56.68 2dwv s SER 47 Cb 0.12 0.55 -0.08 0.00 0.21 0.00 0.00 66.02 66.82 2dwv s SER 47 CO 0.47 -1.09 0.07 -1.54 0.41 0.00 0.00 173.24 171.56 2dwv n SER 48 N -1.17 3.61 0.00 2.44 3.41 -1.26 -5.10 113.62 115.56 2dwv n SER 48 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2dwv n SER 48 Cb 0.60 0.92 0.00 0.00 -0.26 0.00 0.00 64.21 65.46 2dwv n SER 48 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49