#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dan n SER 2 N 0.00 0.75 0.06 1.61 7.64 -1.26 -4.80 113.62 117.62 2dan n SER 2 Ca 0.00 0.12 -0.21 0.00 1.01 0.00 0.00 58.87 59.80 2dan n SER 2 Cb 0.00 -0.29 -0.15 0.00 -1.01 0.00 0.00 64.21 62.76 2dan n SER 2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2dan h SER 3 N -0.30 0.53 -3.75 6.43 4.64 -2.13 -3.50 113.55 115.47 2dan h SER 3 Ca -0.17 -0.94 0.16 0.00 -0.47 0.00 0.00 61.79 60.36 2dan h SER 3 Cb 1.01 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 62.87 2dan h SER 3 CO -0.10 1.44 -0.31 0.61 -0.87 0.00 0.00 176.83 177.60 2dan n GLY 4 N 1.65 -1.95 3.80 -0.77 0.00 -1.26 -4.87 105.19 101.79 2dan n GLY 4 Ca -0.14 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 2dan n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dan s SER 5 N -5.18 6.78 -0.10 1.61 0.15 -1.26 -4.99 113.70 110.71 2dan s SER 5 Ca 0.00 1.85 -0.27 0.00 0.70 0.00 0.00 55.95 58.23 2dan s SER 5 Cb 0.00 -2.56 -0.26 0.00 -1.71 0.00 0.00 66.02 61.49 2dan s SER 5 CO 0.00 -0.47 0.90 0.77 1.20 0.00 0.00 173.24 175.63 2dan h SER 6 N 2.08 0.11 -3.88 5.45 4.64 -2.06 -3.49 113.55 116.41 2dan h SER 6 Ca -0.49 -0.89 0.19 0.00 -0.47 0.00 0.00 61.79 60.13 2dan h SER 6 Cb 1.20 -0.04 -0.23 0.00 -0.31 0.00 0.00 62.40 63.03 2dan h SER 6 CO 0.61 0.99 0.75 -0.83 -0.87 0.00 0.00 176.83 177.49 2dan s GLY 7 N -4.07 -0.18 -0.42 -0.77 0.00 -1.26 -5.12 107.32 95.49 2dan s GLY 7 Ca -0.17 2.08 -0.09 0.00 0.00 0.00 0.00 44.72 46.54 2dan s GLY 7 CO 0.72 0.86 0.26 1.08 0.00 0.00 0.00 173.10 176.02 2dan s LEU 8 N -1.49 5.18 0.02 0.66 1.43 -1.26 -5.06 118.68 118.16 2dan s LEU 8 Ca 0.05 -1.52 -0.08 0.00 -1.03 0.00 0.00 54.13 51.55 2dan s LEU 8 Cb -0.01 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.22 2dan s LEU 8 CO -0.04 -0.54 0.16 -1.83 0.23 0.00 0.00 176.35 174.33 2dan s GLU 9 N 1.42 0.59 -0.70 1.70 4.04 -1.26 -5.08 118.70 119.41 2dan s GLU 9 Ca 0.03 -0.54 -0.26 0.00 0.04 0.00 0.00 54.97 54.24 2dan s GLU 9 Cb -0.23 0.24 -0.08 0.00 0.02 0.00 0.00 34.13 34.08 2dan s GLU 9 CO 0.02 -0.16 2.23 0.00 -1.84 0.00 0.00 175.26 175.51 2dan s ALA 10 N -2.06 1.38 -0.51 -0.84 0.00 -1.26 -4.91 121.76 113.57 2dan s ALA 10 Ca -0.09 -0.69 -0.18 0.00 0.00 0.00 0.00 51.96 51.00 2dan s ALA 10 Cb -0.04 -4.47 0.07 0.00 0.00 0.00 0.00 23.12 18.69 2dan s ALA 10 CO -0.01 -4.97 0.54 0.54 0.00 0.00 0.00 175.76 171.85 2dan s VAL 11 N 12.22 5.02 0.09 0.00 0.11 -1.26 -5.05 120.40 131.54 2dan s VAL 11 Ca 0.85 -0.84 0.05 0.00 -2.93 0.00 0.00 61.98 59.11 2dan s VAL 11 Cb -0.13 -4.26 -0.04 0.00 -1.53 0.00 0.00 36.38 30.42 2dan s VAL 11 CO 0.13 -0.77 0.01 0.00 -3.33 0.00 0.00 175.10 171.15 2dan s ALA 12 N 2.20 3.33 1.00 1.54 0.00 -1.26 -5.13 121.76 123.44 2dan s ALA 12 Ca 0.10 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2dan s ALA 12 Cb -0.22 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.68 2dan s ALA 12 CO 0.09 0.70 0.00 -0.35 0.00 0.00 0.00 175.76 176.19 2dan n PRO 13 N 0.50 0.27 -3.79 0.00 -0.04 -1.26 -5.11 135.00 125.57 2dan n PRO 13 Ca -0.10 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.27 2dan n PRO 13 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 2dan n PRO 13 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2dan s GLU 14 N -1.08 1.60 -0.08 0.54 -1.05 -1.26 -5.19 118.70 112.19 2dan s GLU 14 Ca 0.00 -0.93 -0.30 0.00 -0.15 0.00 0.00 54.97 53.59 2dan s GLU 14 Cb 0.00 0.57 0.08 0.00 -0.44 0.00 0.00 34.13 34.34 2dan s GLU 14 CO 0.00 -0.71 0.73 -0.98 0.95 0.00 0.00 175.26 175.25 2dan s ARG 15 N -3.90 0.98 0.00 -4.83 1.70 -1.26 -5.17 118.95 106.47 2dan s ARG 15 Ca 0.11 0.30 0.00 0.00 -0.47 0.00 0.00 55.73 55.66 2dan s ARG 15 Cb -0.04 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 2dan s ARG 15 CO 0.02 -0.29 0.00 -0.35 -1.08 0.00 0.00 175.30 173.60 2dan n PRO 16 N 1.02 0.23 -3.73 3.89 -0.04 -1.26 -4.91 135.00 130.19 2dan n PRO 16 Ca -0.17 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.16 2dan n PRO 16 Cb 0.57 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.92 2dan n PRO 16 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2dan s ARG 17 N -1.15 0.42 0.99 0.54 6.06 -1.26 -3.40 118.95 121.15 2dan s ARG 17 Ca 0.00 0.57 -0.13 0.00 -2.50 0.00 0.00 55.73 53.67 2dan s ARG 17 Cb 0.00 0.15 0.09 0.00 0.06 0.00 0.00 34.95 35.25 2dan s ARG 17 CO 0.00 -0.08 0.54 0.00 -2.50 0.00 0.00 175.30 173.26 2dan n ALA 19 N -3.98 2.35 0.00 0.00 0.00 -0.96 -3.23 120.51 114.68 2dan n ALA 19 Ca 0.07 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2dan n ALA 19 Cb 0.55 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2dan n ALA 19 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2dan n TYR 20 N 0.85 0.00 0.19 0.00 4.19 -1.26 -4.82 117.16 116.31 2dan n TYR 20 Ca 0.12 0.00 0.02 0.00 3.31 0.00 0.00 57.90 61.35 2dan n TYR 20 Cb 0.43 0.01 -0.02 0.00 0.49 0.00 0.00 39.34 40.25 2dan n TYR 20 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2dan n SER 22 N -0.95 -6.21 -4.79 0.00 7.64 -1.20 -4.92 113.62 103.18 2dan n SER 22 Ca 0.01 -0.49 -0.27 0.00 1.01 0.00 0.00 58.87 59.13 2dan n SER 22 Cb 0.07 -4.86 -0.06 0.00 -1.01 0.00 0.00 64.21 58.35 2dan n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dan s ALA 23 N -3.29 3.56 -0.48 -0.43 0.00 -1.26 -4.50 121.76 115.35 2dan s ALA 23 Ca 0.53 -1.18 -0.43 0.00 0.00 0.00 0.00 51.96 50.89 2dan s ALA 23 Cb -0.23 -1.37 -0.18 0.00 0.00 0.00 0.00 23.12 21.34 2dan s ALA 23 CO 0.66 0.55 2.15 0.39 0.00 0.00 0.00 175.76 179.51 2dan n GLU 24 N -0.18 0.16 -3.42 0.00 1.02 -1.26 0.07 120.64 117.02 2dan n GLU 24 Ca -0.08 0.04 -0.30 0.00 -0.02 0.00 0.00 57.16 56.80 2dan n GLU 24 Cb 0.54 -1.64 -0.04 0.00 -0.02 0.00 0.00 31.44 30.28 2dan n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dan s ALA 25 N 6.22 3.64 0.00 0.62 0.00 -1.22 -4.50 121.76 126.52 2dan s ALA 25 Ca 1.19 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.66 2dan s ALA 25 Cb -1.40 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2dan s ALA 25 CO 0.63 0.39 0.00 0.45 0.00 0.00 0.00 175.76 177.24 2dan n SER 26 N -0.53 3.91 -4.52 0.00 2.88 -1.26 -4.18 113.62 109.92 2dan n SER 26 Ca -0.01 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.23 2dan n SER 26 Cb 0.53 0.30 -0.11 0.00 -0.75 0.00 0.00 64.21 64.18 2dan n SER 26 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2dan s LYS 27 N -1.83 2.03 0.37 -1.46 -0.14 -1.26 -5.05 119.74 112.41 2dan s LYS 27 Ca 0.00 -1.04 0.08 0.00 -1.36 0.00 0.00 55.97 53.65 2dan s LYS 27 Cb 0.00 -2.22 -0.02 0.00 -1.68 0.00 0.00 37.83 33.90 2dan s LYS 27 CO 0.00 0.52 0.33 1.03 -0.76 0.00 0.00 175.35 176.47 2dan s ARG 28 N -1.90 2.66 -0.14 1.68 0.52 -1.26 -2.35 118.95 118.15 2dan s ARG 28 Ca 0.18 -1.38 -0.33 0.00 -0.52 0.00 0.00 55.73 53.68 2dan s ARG 28 Cb -0.11 -2.45 -0.10 0.00 0.52 0.00 0.00 34.95 32.81 2dan s ARG 28 CO 0.10 -0.02 2.00 0.00 0.02 0.00 0.00 175.30 177.40 2dan n SER 30 N 8.16 0.00 -0.10 0.00 2.88 -1.26 0.25 113.62 123.55 2dan n SER 30 Ca 0.27 -0.57 -0.24 0.00 -1.33 0.00 0.00 58.87 57.00 2dan n SER 30 Cb 0.32 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.67 2dan n SER 30 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2dan n ARG 31 N -0.98 0.62 0.00 -1.46 1.74 -1.26 -4.75 116.66 110.56 2dan n ARG 31 Ca 0.13 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 2dan n ARG 31 Cb 0.06 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 2dan n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dan n GLN 33 N -1.20 -1.45 -0.02 0.00 3.00 0.68 -4.84 117.38 113.54 2dan n GLN 33 Ca 0.00 0.99 0.05 0.00 -0.01 0.00 0.00 57.00 58.03 2dan n GLN 33 Cb 0.06 -5.46 0.06 0.00 0.00 0.00 0.00 30.24 24.89 2dan n GLN 33 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2dan n ASN 34 N -1.44 1.99 -4.43 1.08 3.02 -1.26 -4.77 115.26 109.45 2dan n ASN 34 Ca -0.21 -1.51 -0.21 0.00 -0.03 0.00 0.00 54.58 52.62 2dan n ASN 34 Cb 0.66 -0.03 -0.10 0.00 -0.61 0.00 0.00 39.78 39.69 2dan n ASN 34 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2dan s GLU 35 N -0.86 1.57 0.09 3.52 2.56 -1.26 -5.00 118.70 119.32 2dan s GLU 35 Ca 0.13 -1.83 0.08 0.00 0.00 0.00 0.00 54.97 53.35 2dan s GLU 35 Cb 0.09 -1.00 -0.03 0.00 2.00 0.00 0.00 34.13 35.19 2dan s GLU 35 CO 0.13 -0.06 -0.20 -1.58 -0.56 0.00 0.00 175.26 172.98 2dan s TRP 36 N -3.16 1.76 -0.25 5.30 0.52 -1.26 -1.93 118.94 119.92 2dan s TRP 36 Ca 0.32 -0.41 -0.09 0.00 0.02 0.00 0.00 56.10 55.94 2dan s TRP 36 Cb 0.06 -0.98 0.11 0.00 -1.15 0.00 0.00 33.47 31.51 2dan s TRP 36 CO 0.13 0.18 0.54 0.71 0.02 0.00 0.00 176.95 178.53 2dan s TYR 37 N -1.11 -1.08 0.31 -1.98 2.02 -0.99 -2.26 117.35 112.26 2dan s TYR 37 Ca 0.06 1.95 0.03 0.00 -0.37 0.00 0.00 57.07 58.74 2dan s TYR 37 Cb -0.10 0.57 0.60 0.00 -0.40 0.00 0.00 41.96 42.63 2dan s TYR 37 CO 0.04 -0.58 1.90 0.00 -1.57 0.00 0.00 175.55 175.34 2dan h ARG 40 N 3.29 0.27 -0.61 0.00 9.65 -2.00 -2.75 114.38 122.22 2dan h ARG 40 Ca -0.35 -0.02 0.11 0.00 -1.10 0.00 0.00 59.98 58.63 2dan h ARG 40 Cb 1.16 -0.06 -0.12 0.00 -1.39 0.00 0.00 29.97 29.57 2dan h ARG 40 CO 0.61 0.18 -0.31 1.49 2.80 0.00 0.00 179.97 184.74 2dan h GLU 41 N 0.27 -0.13 -0.38 0.20 4.81 -1.98 -0.08 114.58 117.29 2dan h GLU 41 Ca 0.13 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.45 2dan h GLU 41 Cb 0.08 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.42 2dan h GLU 41 CO -0.12 -0.09 -0.07 0.00 -0.73 0.00 0.00 179.01 178.01 2dan n GLN 43 N -5.26 0.11 -0.09 0.00 7.27 -0.11 -1.09 117.38 118.19 2dan n GLN 43 Ca 0.02 0.60 -0.12 0.00 0.07 0.00 0.00 57.00 57.57 2dan n GLN 43 Cb 0.21 -1.90 -0.15 0.00 2.41 0.00 0.00 30.24 30.81 2dan n GLN 43 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2dan n VAL 44 N -2.09 1.45 -0.04 1.69 0.31 0.11 -3.63 118.33 116.14 2dan n VAL 44 Ca -0.01 -0.79 -0.14 0.00 -0.01 0.00 0.00 64.34 63.39 2dan n VAL 44 Cb 0.07 -0.75 -0.09 0.00 -0.91 0.00 0.00 33.84 32.16 2dan n VAL 44 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2dan h LYS 45 N 0.00 0.25 0.00 5.55 1.57 0.74 -3.11 116.57 121.57 2dan h LYS 45 Ca -0.52 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.08 2dan h LYS 45 Cb 2.15 0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.49 2dan h LYS 45 CO 0.01 0.78 0.00 1.58 -0.57 0.00 0.00 179.45 181.26 2dan n HIS 46 N -4.56 0.73 -0.34 -1.35 -0.00 -0.49 -3.98 115.22 105.23 2dan n HIS 46 Ca -0.08 0.25 -0.09 0.00 0.46 0.00 0.00 57.72 58.26 2dan n HIS 46 Cb 0.41 -0.90 -0.08 0.00 -0.12 0.00 0.00 29.99 29.30 2dan n HIS 46 CO 0.00 0.00 0.00 1.87 0.46 0.00 0.00 176.34 178.67 2dan n TRP 47 N -2.13 -0.35 -0.26 1.57 -0.00 -1.18 0.13 117.44 115.22 2dan n TRP 47 Ca 0.04 1.01 0.23 0.00 -0.00 0.00 0.00 57.50 58.78 2dan n TRP 47 Cb 0.32 -0.56 0.43 0.00 -0.00 0.00 0.00 31.31 31.49 2dan n TRP 47 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 2dan n GLU 48 N -4.98 -0.05 0.02 5.87 2.13 -1.26 0.17 120.64 122.55 2dan n GLU 48 Ca 0.02 1.12 -0.18 0.00 0.66 0.00 0.00 57.16 58.78 2dan n GLU 48 Cb 0.21 -1.97 -0.14 0.00 0.27 0.00 0.00 31.44 29.81 2dan n GLU 48 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2dan h LYS 49 N 0.00 0.23 0.30 5.31 6.56 0.75 -3.37 116.57 126.35 2dan h LYS 49 Ca 0.64 -0.40 -0.01 0.00 -1.06 0.00 0.00 60.65 59.82 2dan h LYS 49 Cb 1.64 0.15 0.00 0.00 -0.57 0.00 0.00 32.23 33.46 2dan h LYS 49 CO -0.64 1.08 -0.14 1.25 -2.06 0.00 0.00 179.45 178.93 2dan h HIS 50 N 0.06 -0.37 -1.33 -1.35 2.76 0.51 -3.21 115.15 112.23 2dan h HIS 50 Ca -0.35 -0.01 0.39 0.00 -2.20 0.00 0.00 60.37 58.20 2dan h HIS 50 Cb 2.04 0.12 -0.05 0.00 1.55 0.00 0.00 27.41 31.07 2dan h HIS 50 CO 0.06 -0.23 1.13 0.41 -1.30 0.00 0.00 177.93 178.00 2dan n GLY 51 N 0.44 -0.75 0.22 5.26 0.00 0.46 0.24 105.19 111.05 2dan n GLY 51 Ca -0.05 0.47 -0.05 0.00 0.00 0.00 0.00 46.02 46.39 2dan n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dan h LYS 52 N 0.00 -0.07 -0.00 1.61 1.57 -1.70 -2.85 116.57 115.13 2dan h LYS 52 Ca 0.63 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.42 2dan h LYS 52 Cb 2.88 0.02 0.00 0.00 0.08 0.00 0.00 32.23 35.20 2dan h LYS 52 CO -0.01 -0.05 -0.55 0.25 -0.57 0.00 0.00 179.45 178.53 2dan n THR 53 N -5.35 0.00 -0.87 -0.16 -2.24 0.14 -5.03 114.28 100.77 2dan n THR 53 Ca 0.02 -0.23 -0.35 0.00 -2.27 0.00 0.00 64.05 61.23 2dan n THR 53 Cb 0.26 1.05 0.09 0.00 -2.10 0.00 0.00 70.33 69.63 2dan n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dan n SER 55 N 1.04 -6.37 0.00 0.00 2.88 -1.26 -4.97 113.62 104.94 2dan n SER 55 Ca 0.01 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.03 2dan n SER 55 Cb 0.62 -5.01 0.00 0.00 -0.75 0.00 0.00 64.21 59.07 2dan n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dan n GLY 56 N -1.97 -2.17 3.58 0.46 0.00 -1.20 -4.33 105.19 99.56 2dan n GLY 56 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2dan n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dan s PRO 57 N 0.00 2.50 0.12 1.61 0.04 -1.26 -4.92 135.00 133.08 2dan s PRO 57 Ca 0.00 -1.12 -0.27 0.00 0.04 0.00 0.00 61.00 59.64 2dan s PRO 57 Cb 0.00 -5.23 -0.15 0.00 0.04 0.00 0.00 34.50 29.15 2dan s PRO 57 CO 0.00 -3.96 0.60 -1.13 0.04 0.00 0.00 177.00 172.55 2dan n SER 58 N 14.37 -0.73 -3.63 6.66 3.41 -1.26 -4.95 113.62 127.49 2dan n SER 58 Ca 0.45 0.98 -0.06 0.00 -0.26 0.00 0.00 58.87 59.97 2dan n SER 58 Cb 0.47 -0.81 -0.06 0.00 -0.26 0.00 0.00 64.21 63.55 2dan n SER 58 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dan s SER 59 N -0.58 -0.22 0.00 4.04 0.15 -1.26 -5.22 113.70 110.61 2dan s SER 59 Ca 0.62 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.61 2dan s SER 59 Cb -0.89 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 63.72 2dan s SER 59 CO 0.48 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.40