#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 6.65 0.09 1.61 0.01 -1.26 -4.82 113.70 115.98 2dwv s SER 2 Ca 0.00 -2.01 0.08 0.00 1.31 0.00 0.00 55.95 55.33 2dwv s SER 2 Cb 0.00 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 2dwv s SER 2 CO 0.00 -1.14 -0.18 -0.94 0.41 0.00 0.00 173.24 171.39 2dwv s SER 3 N 3.89 3.88 -0.39 2.44 1.04 -1.26 -5.05 113.70 118.25 2dwv s SER 3 Ca 0.37 -0.50 0.03 0.00 0.48 0.00 0.00 55.95 56.34 2dwv s SER 3 Cb -0.03 -0.59 0.30 0.00 0.10 0.00 0.00 66.02 65.80 2dwv s SER 3 CO -0.08 0.21 1.20 0.61 0.98 0.00 0.00 173.24 176.16 2dwv n GLY 4 N 1.08 -0.81 3.56 7.32 0.00 -1.26 -4.83 105.19 110.25 2dwv n GLY 4 Ca -0.16 0.58 -0.38 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.73 6.26 0.29 1.61 0.01 -1.26 -4.86 113.70 115.03 2dwv s SER 5 Ca 0.24 -1.33 -0.04 0.00 1.31 0.00 0.00 55.95 56.14 2dwv s SER 5 Cb 0.26 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.94 2dwv s SER 5 CO -0.14 -1.73 0.45 -1.20 0.41 0.00 0.00 173.24 171.03 2dwv n SER 6 N 9.79 -1.28 -3.90 2.44 7.64 -1.26 -5.18 113.62 121.87 2dwv n SER 6 Ca 0.35 -2.48 -0.30 0.00 1.01 0.00 0.00 58.87 57.44 2dwv n SER 6 Cb 0.50 2.30 0.24 0.00 -1.01 0.00 0.00 64.21 66.25 2dwv n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dwv s GLY 7 N -2.74 1.55 0.00 0.23 0.00 -1.26 -5.02 107.32 100.08 2dwv s GLY 7 Ca 0.21 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.12 2dwv s GLY 7 CO 0.15 0.05 0.48 -1.55 0.00 0.00 0.00 173.10 172.24 2dwv n PRO 8 N -4.85 0.00 -4.01 2.90 -0.04 -1.26 -4.74 135.00 123.00 2dwv n PRO 8 Ca 0.11 0.22 -0.31 0.00 -0.04 0.00 0.00 63.50 63.49 2dwv n PRO 8 Cb 0.59 -1.06 -0.15 0.00 -0.04 0.00 0.00 33.50 32.84 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 -2.34 2.88 0.30 1.53 1.43 -1.26 -4.91 118.68 116.30 2dwv s LEU 9 Ca 0.00 -1.20 0.03 0.00 -1.03 0.00 0.00 54.13 51.93 2dwv s LEU 9 Cb 0.00 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 2dwv s LEU 9 CO 0.00 -0.19 0.16 -1.61 0.23 0.00 0.00 176.35 174.94 2dwv s GLU 10 N 1.26 1.57 -0.11 1.70 2.02 -1.26 -5.07 118.70 118.81 2dwv s GLU 10 Ca -0.06 -1.89 0.15 0.00 0.02 0.00 0.00 54.97 53.20 2dwv s GLU 10 Cb -0.19 -0.05 0.24 0.00 0.10 0.00 0.00 34.13 34.23 2dwv s GLU 10 CO -0.06 -0.45 1.12 2.89 0.02 0.00 0.00 175.26 178.78 2dwv n ARG 11 N -0.56 1.05 -4.20 1.61 1.85 -1.26 -4.97 116.66 110.18 2dwv n ARG 11 Ca 0.01 -2.31 -0.19 0.00 -1.00 0.00 0.00 57.85 54.37 2dwv n ARG 11 Cb 0.65 -1.31 -0.12 0.00 -1.05 0.00 0.00 32.46 30.63 2dwv n ARG 11 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2dwv s GLU 12 N -2.35 0.90 0.00 2.89 2.02 -1.26 -4.88 118.70 116.01 2dwv s GLU 12 Ca 0.26 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 54.20 2dwv s GLU 12 Cb 0.23 -0.90 0.00 0.00 0.10 0.00 0.00 34.13 33.57 2dwv s GLU 12 CO 0.02 0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.90 2dwv n GLY 13 N 1.05 2.17 3.68 -1.39 0.00 -1.26 -5.05 105.19 104.38 2dwv n GLY 13 Ca -0.19 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 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 2.70 0.72 0.99 1.43 -1.26 -5.02 118.68 118.24 2dwv s LEU 14 Ca 0.00 2.07 -0.11 0.00 -1.03 0.00 0.00 54.13 55.05 2dwv s LEU 14 Cb 0.00 -4.45 0.02 0.00 0.03 0.00 0.00 46.19 41.79 2dwv s LEU 14 CO 0.00 -3.02 1.07 -2.16 0.23 0.00 0.00 176.35 172.47 2dwv s PRO 15 N -4.68 2.68 -0.14 1.29 0.04 -1.26 -4.96 135.00 127.97 2dwv s PRO 15 Ca 0.66 1.07 -0.29 0.00 0.04 0.00 0.00 61.00 62.48 2dwv s PRO 15 Cb -0.22 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2dwv s PRO 15 CO 0.58 -1.31 1.61 -1.25 0.04 0.00 0.00 177.00 176.67 2dwv s PRO 16 N -4.90 4.00 0.00 0.56 0.04 -1.26 -2.29 135.00 131.15 2dwv s PRO 16 Ca 0.60 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.55 2dwv s PRO 16 Cb -0.16 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.39 2dwv s PRO 16 CO 0.54 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.94 2dwv n GLY 17 N 4.34 2.05 3.91 0.56 0.00 -1.26 -5.12 105.19 109.68 2dwv n GLY 17 Ca 0.18 0.00 -0.27 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 -1.87 3.50 0.02 1.61 0.52 -0.97 -4.01 118.94 117.75 2dwv s TRP 18 Ca 0.00 0.65 0.02 0.00 0.02 0.00 0.00 56.10 56.79 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 0.02 -0.08 -2.00 0.02 0.00 0.00 176.95 174.91 2dwv s GLU 19 N -4.08 0.55 -0.10 4.98 2.56 -1.06 -4.89 118.70 116.66 2dwv s GLU 19 Ca 0.44 -0.52 0.03 0.00 0.00 0.00 0.00 54.97 54.92 2dwv s GLU 19 Cb -0.10 -0.45 -0.00 0.00 2.00 0.00 0.00 34.13 35.58 2dwv s GLU 19 CO 0.35 0.11 -0.21 0.50 -0.56 0.00 0.00 175.26 175.45 2dwv s ARG 20 N -0.90 3.08 -0.02 4.30 3.52 -1.26 -1.63 118.95 126.04 2dwv s ARG 20 Ca -0.03 -0.83 0.08 0.00 -0.13 0.00 0.00 55.73 54.81 2dwv s ARG 20 Cb -0.06 -2.37 -0.02 0.00 -1.56 0.00 0.00 34.95 30.94 2dwv s ARG 20 CO 0.00 0.21 -0.25 0.08 -0.81 0.00 0.00 175.30 174.53 2dwv s VAL 21 N 0.29 1.99 -0.03 7.11 1.01 -0.36 -5.01 120.40 125.40 2dwv s VAL 21 Ca -0.16 -1.07 0.06 0.00 0.00 0.00 0.00 61.98 60.81 2dwv s VAL 21 Cb -0.17 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 2dwv s VAL 21 CO 0.08 0.56 -0.19 -1.83 0.00 0.00 0.00 175.10 173.72 2dwv s GLU 22 N -0.54 2.32 -0.03 2.72 -1.05 -1.26 -1.19 118.70 119.67 2dwv s GLU 22 Ca 0.08 -0.81 -0.29 0.00 -0.15 0.00 0.00 54.97 53.80 2dwv s GLU 22 Cb -0.10 -2.23 0.07 0.00 -0.44 0.00 0.00 34.13 31.43 2dwv s GLU 22 CO -0.00 0.59 0.65 0.45 0.95 0.00 0.00 175.26 177.90 2dwv s SER 23 N -0.72 -0.63 0.39 0.83 0.15 -0.47 -4.98 113.70 108.28 2dwv s SER 23 Ca 0.11 0.62 0.21 0.00 0.70 0.00 0.00 55.95 57.60 2dwv s SER 23 Cb -0.10 0.53 0.64 0.00 -1.71 0.00 0.00 66.02 65.38 2dwv s SER 23 CO 0.00 -0.63 1.71 0.28 1.20 0.00 0.00 173.24 175.80 2dwv h SER 24 N 2.96 0.00 0.32 5.45 0.02 -2.01 0.22 113.55 120.51 2dwv h SER 24 Ca -0.28 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.34 2dwv h SER 24 Cb 1.16 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.73 2dwv h SER 24 CO 0.39 0.29 -1.46 -0.08 -1.14 0.00 0.00 176.83 174.83 2dwv h GLU 25 N 0.00 0.49 -0.00 3.45 4.57 -2.04 -3.37 114.58 117.67 2dwv h GLU 25 Ca -0.00 -0.83 0.00 0.00 -1.18 0.00 0.00 59.36 57.35 2dwv h GLU 25 Cb 0.94 0.31 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2dwv h GLU 25 CO 0.04 1.40 -0.48 1.19 -1.18 0.00 0.00 179.01 179.97 2dwv n PHE 26 N -3.67 0.00 0.00 0.92 3.72 -1.23 -5.06 117.46 112.14 2dwv n PHE 26 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 2dwv n PHE 26 Cb 1.09 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.63 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 1.22 2.11 3.30 1.37 0.00 0.78 -4.57 105.19 109.40 2dwv n GLY 27 Ca 0.02 0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.69 0.28 2.61 2.01 -1.26 -1.37 115.64 117.23 2dwv s THR 28 Ca 0.00 0.15 0.04 0.00 0.31 0.00 0.00 61.69 62.18 2dwv s THR 28 Cb 0.00 -0.70 -0.06 0.00 0.01 0.00 0.00 72.50 71.75 2dwv s THR 28 CO 0.00 0.06 0.03 -0.72 -0.69 0.00 0.00 174.62 173.30 2dwv s TYR 29 N 2.64 1.79 -0.02 4.92 1.13 -0.33 -4.95 117.35 122.53 2dwv s TYR 29 Ca -0.02 -0.95 0.06 0.00 -1.41 0.00 0.00 57.07 54.75 2dwv s TYR 29 Cb -0.12 -1.11 -0.01 0.00 -1.10 0.00 0.00 41.96 39.62 2dwv s TYR 29 CO -0.13 -0.02 -0.19 0.71 -2.51 0.00 0.00 175.55 173.41 2dwv s TYR 30 N -3.36 1.70 -0.08 -3.49 1.51 -0.57 -1.22 117.35 111.84 2dwv s TYR 30 Ca 0.34 -0.34 0.04 0.00 -1.01 0.00 0.00 57.07 56.10 2dwv s TYR 30 Cb 0.07 -1.10 -0.00 0.00 -0.11 0.00 0.00 41.96 40.82 2dwv s TYR 30 CO 0.13 -0.04 -0.22 0.08 -1.11 0.00 0.00 175.55 174.39 2dwv s VAL 31 N -0.40 1.83 -0.23 0.71 1.01 -0.64 -0.72 120.40 121.96 2dwv s VAL 31 Ca 0.06 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 2dwv s VAL 31 Cb -0.08 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 2dwv s VAL 31 CO -0.00 0.51 0.55 -0.62 0.00 0.00 0.00 175.10 175.54 2dwv s ASP 32 N 0.24 6.53 0.00 3.32 2.15 -0.10 -2.56 116.67 126.25 2dwv s ASP 32 Ca -0.13 0.65 0.27 0.00 0.43 0.00 0.00 52.55 53.76 2dwv s ASP 32 Cb -0.16 -2.30 0.81 0.00 -0.30 0.00 0.00 42.92 40.97 2dwv s ASP 32 CO 0.06 -0.26 1.63 1.41 -0.17 0.00 0.00 175.17 177.83 2dwv n HIS 33 N 5.26 0.00 -0.03 -5.34 8.25 -1.26 -1.15 115.22 120.94 2dwv n HIS 33 Ca -0.03 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.27 2dwv n HIS 33 Cb 0.50 -0.35 -0.08 0.00 1.12 0.00 0.00 29.99 31.18 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 0.02 1.36 0.00 1.59 2.02 -1.93 -3.36 112.91 112.60 2dwv h THR 34 Ca 0.00 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.39 2dwv h THR 34 Cb 0.50 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 2dwv h THR 34 CO 0.00 0.54 0.00 0.59 0.37 0.00 0.00 175.52 177.02 2dwv n ASN 35 N -4.24 1.26 -3.66 4.18 3.02 -1.26 -5.02 115.26 109.54 2dwv n ASN 35 Ca -0.08 -1.28 -0.23 0.00 -0.03 0.00 0.00 54.58 52.96 2dwv n ASN 35 Cb 0.59 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.81 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 -0.14 -6.12 -5.10 3.52 4.76 -0.30 -5.01 118.16 109.77 2dwv n LYS 36 Ca 0.00 0.72 -0.32 0.00 -2.87 0.00 0.00 58.31 55.84 2dwv n LYS 36 Cb 0.08 -5.57 -0.15 0.00 -1.84 0.00 0.00 35.03 27.55 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 -6.03 2.42 0.11 1.97 0.52 -1.07 -4.93 118.95 111.95 2dwv s ARG 37 Ca 0.26 -0.81 -0.01 0.00 -0.52 0.00 0.00 55.73 54.65 2dwv s ARG 37 Cb -0.12 -2.24 -0.04 0.00 0.52 0.00 0.00 34.95 33.07 2dwv s ARG 37 CO 0.78 0.54 0.27 0.00 0.02 0.00 0.00 175.30 176.91 2dwv s ALA 38 N -0.53 3.94 0.18 2.13 0.00 -1.26 -0.92 121.76 125.30 2dwv s ALA 38 Ca 0.07 -0.81 -0.14 0.00 0.00 0.00 0.00 51.96 51.08 2dwv s ALA 38 Cb -0.11 -1.90 0.01 0.00 0.00 0.00 0.00 23.12 21.12 2dwv s ALA 38 CO 0.01 0.71 0.41 1.14 0.00 0.00 0.00 175.76 178.03 2dwv s GLN 39 N -2.74 1.28 -0.30 0.00 -2.07 0.10 -5.00 119.66 110.92 2dwv s GLN 39 Ca 0.37 -1.01 0.10 0.00 -1.82 0.00 0.00 55.36 53.00 2dwv s GLN 39 Cb -0.12 0.45 0.59 0.00 -1.09 0.00 0.00 33.01 32.84 2dwv s GLN 39 CO 0.28 -0.51 1.60 0.66 -1.32 0.00 0.00 175.29 176.00 2dwv n TYR 40 N -0.28 1.67 -4.08 9.60 4.01 -1.26 -1.50 117.16 125.31 2dwv n TYR 40 Ca -0.09 -1.40 -0.08 0.00 -0.16 0.00 0.00 57.90 56.18 2dwv n TYR 40 Cb 0.63 -0.57 -0.10 0.00 -0.31 0.00 0.00 39.34 38.99 2dwv n TYR 40 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2dwv s ARG 41 N -3.11 0.69 0.31 -0.72 1.81 -1.26 -4.28 118.95 112.39 2dwv s ARG 41 Ca 0.48 -1.24 -0.28 0.00 -1.72 0.00 0.00 55.73 52.97 2dwv s ARG 41 Cb 0.41 0.23 -0.09 0.00 -0.45 0.00 0.00 34.95 35.04 2dwv s ARG 41 CO 0.07 -0.15 1.08 -1.58 -0.68 0.00 0.00 175.30 174.04 2dwv s HIS 42 N -3.94 3.51 0.84 -0.53 2.46 -1.26 -4.73 115.29 111.64 2dwv s HIS 42 Ca 0.10 1.69 -0.11 0.00 0.47 0.00 0.00 55.06 57.21 2dwv s HIS 42 Cb 0.08 -3.24 0.10 0.00 -0.13 0.00 0.00 32.58 29.38 2dwv s HIS 42 CO -0.08 -0.55 1.09 -1.25 -2.47 0.00 0.00 174.74 171.48 2dwv s PRO 43 N -1.70 1.68 0.00 2.88 0.04 -1.26 -5.02 135.00 131.62 2dwv s PRO 43 Ca 0.48 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2dwv s PRO 43 Cb -0.29 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2dwv s PRO 43 CO 0.38 -1.95 0.00 0.43 0.04 0.00 0.00 177.00 175.90 2dwv n SER 44 N -3.68 0.29 -1.04 6.66 7.64 -1.26 -5.04 113.62 117.18 2dwv n SER 44 Ca 0.07 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.09 2dwv n SER 44 Cb 0.55 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.71 2dwv n SER 44 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dwv n GLY 45 N 1.96 -2.09 3.84 0.23 0.00 -1.26 -4.92 105.19 102.94 2dwv n GLY 45 Ca 0.00 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.40 0.13 0.05 1.61 0.04 -1.26 -5.11 135.00 128.05 2dwv s PRO 46 Ca 0.00 -0.31 -0.01 0.00 0.04 0.00 0.00 61.00 60.72 2dwv s PRO 46 Cb 0.00 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 2dwv s PRO 46 CO 0.00 -2.77 -0.02 -1.54 0.04 0.00 0.00 177.00 172.71 2dwv s SER 47 N -4.61 0.46 0.00 6.66 1.04 -1.26 -5.07 113.70 110.92 2dwv s SER 47 Ca 0.73 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 56.20 2dwv s SER 47 Cb -0.06 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.27 2dwv s SER 47 CO 0.54 -0.59 0.12 -1.20 0.98 0.00 0.00 173.24 173.09 2dwv n SER 48 N 0.17 0.00 0.00 7.02 7.64 -1.26 -5.35 113.62 121.84 2dwv n SER 48 Ca -0.15 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.73 2dwv n SER 48 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 2dwv n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64