#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 6.05 -0.11 1.61 7.64 -1.26 -4.63 113.62 122.93 2dan n SER 2 Ca 0.00 -3.77 -0.22 0.00 1.01 0.00 0.00 58.87 55.89 2dan n SER 2 Cb 0.00 -0.62 -0.07 0.00 -1.01 0.00 0.00 64.21 62.51 2dan n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dan n SER 3 N -0.75 1.52 0.00 6.43 2.88 -1.26 -5.10 113.62 117.33 2dan n SER 3 Ca 0.51 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 58.31 2dan n SER 3 Cb 0.79 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 2dan n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dan n GLY 4 N 1.67 0.32 3.27 0.46 0.00 -1.26 -4.93 105.19 104.72 2dan n GLY 4 Ca -0.41 -1.13 -0.15 0.00 0.00 0.00 0.00 46.02 44.33 2dan n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dan s SER 5 N -4.00 1.98 1.15 1.61 0.01 -1.26 -5.15 113.70 108.04 2dan s SER 5 Ca 0.00 -0.99 -0.17 0.00 1.31 0.00 0.00 55.95 56.10 2dan s SER 5 Cb 0.00 -0.04 0.24 0.00 0.21 0.00 0.00 66.02 66.42 2dan s SER 5 CO 0.00 -0.28 0.51 -1.20 0.41 0.00 0.00 173.24 172.68 2dan n SER 6 N -0.15 -3.29 -4.17 2.44 7.64 -1.26 -4.92 113.62 109.90 2dan n SER 6 Ca -0.10 -0.52 -0.39 0.00 1.01 0.00 0.00 58.87 58.87 2dan n SER 6 Cb 0.60 -0.86 -0.06 0.00 -1.01 0.00 0.00 64.21 62.88 2dan n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dan s GLY 7 N -2.31 2.80 -1.25 0.23 0.00 -1.26 -5.00 107.32 100.53 2dan s GLY 7 Ca 0.47 -3.53 -0.18 0.00 0.00 0.00 0.00 44.72 41.48 2dan s GLY 7 CO 0.42 1.19 1.67 1.08 0.00 0.00 0.00 173.10 177.46 2dan s LEU 8 N -0.56 3.93 -0.25 0.66 1.02 -1.26 -4.86 118.68 117.37 2dan s LEU 8 Ca 0.22 -2.38 -0.27 0.00 0.02 0.00 0.00 54.13 51.72 2dan s LEU 8 Cb -0.13 -2.56 0.15 0.00 0.02 0.00 0.00 46.19 43.67 2dan s LEU 8 CO -0.08 -1.17 1.15 -0.70 0.02 0.00 0.00 176.35 175.57 2dan s GLU 9 N 4.05 0.38 -0.86 1.70 2.12 -1.26 -5.09 118.70 119.74 2dan s GLU 9 Ca 0.52 0.27 -0.26 0.00 0.36 0.00 0.00 54.97 55.86 2dan s GLU 9 Cb 0.03 0.18 -0.20 0.00 0.26 0.00 0.00 34.13 34.40 2dan s GLU 9 CO 0.05 -0.08 2.52 0.00 -0.54 0.00 0.00 175.26 177.21 2dan n ALA 10 N 1.38 0.55 -3.66 6.30 0.00 -1.26 -4.87 120.51 118.94 2dan n ALA 10 Ca -0.10 -0.61 -0.35 0.00 0.00 0.00 0.00 53.44 52.38 2dan n ALA 10 Cb 0.57 -2.60 -0.14 0.00 0.00 0.00 0.00 19.45 17.28 2dan n ALA 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dan s VAL 11 N 8.84 2.97 0.13 0.00 0.11 -1.26 -5.10 120.40 126.09 2dan s VAL 11 Ca 1.23 -1.42 0.11 0.00 -2.93 0.00 0.00 61.98 58.96 2dan s VAL 11 Cb -0.84 -2.72 -0.04 0.00 -1.53 0.00 0.00 36.38 31.24 2dan s VAL 11 CO 0.42 -0.13 -0.25 0.00 -3.33 0.00 0.00 175.10 171.80 2dan s ALA 12 N 1.24 2.44 1.19 1.54 0.00 -1.26 -5.14 121.76 121.77 2dan s ALA 12 Ca -0.05 -1.46 -0.19 0.00 0.00 0.00 0.00 51.96 50.27 2dan s ALA 12 Cb -0.20 -0.43 0.28 0.00 0.00 0.00 0.00 23.12 22.78 2dan s ALA 12 CO -0.01 0.54 1.11 -1.25 0.00 0.00 0.00 175.76 176.15 2dan s PRO 13 N -2.11 -1.10 0.07 0.00 0.04 -1.26 -5.09 135.00 125.55 2dan s PRO 13 Ca 0.15 -0.03 -0.04 0.00 0.04 0.00 0.00 61.00 61.12 2dan s PRO 13 Cb -0.10 -1.61 -0.02 0.00 0.04 0.00 0.00 34.50 32.81 2dan s PRO 13 CO 0.07 -3.64 0.07 -1.83 0.04 0.00 0.00 177.00 171.71 2dan s GLU 14 N -5.37 0.73 -0.04 4.56 -1.05 -1.26 -5.17 118.70 111.09 2dan s GLU 14 Ca 0.70 -1.13 -0.19 0.00 -0.15 0.00 0.00 54.97 54.21 2dan s GLU 14 Cb -0.10 0.27 0.04 0.00 -0.44 0.00 0.00 34.13 33.89 2dan s GLU 14 CO 0.56 -0.18 0.42 -0.98 0.95 0.00 0.00 175.26 176.02 2dan s ARG 15 N -3.91 0.74 0.00 -4.83 1.70 -1.26 -5.17 118.95 106.22 2dan s ARG 15 Ca 0.07 0.03 0.00 0.00 -0.47 0.00 0.00 55.73 55.36 2dan s ARG 15 Cb 0.07 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.79 2dan s ARG 15 CO -0.10 -0.20 0.00 -0.35 -1.08 0.00 0.00 175.30 173.57 2dan n PRO 16 N 1.40 0.33 -3.75 3.89 -0.04 -1.26 -4.89 135.00 130.69 2dan n PRO 16 Ca -0.20 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.13 2dan n PRO 16 Cb 0.56 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.91 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 -0.99 0.39 1.01 0.54 6.06 -1.26 -3.17 118.95 121.53 2dan s ARG 17 Ca 0.00 0.50 -0.13 0.00 -2.50 0.00 0.00 55.73 53.60 2dan s ARG 17 Cb 0.00 0.16 0.13 0.00 0.06 0.00 0.00 34.95 35.30 2dan s ARG 17 CO 0.00 -0.06 0.67 0.00 -2.50 0.00 0.00 175.30 173.41 2dan n ALA 19 N -4.19 2.36 0.00 0.00 0.00 -0.92 -3.29 120.51 114.47 2dan n ALA 19 Ca 0.07 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2dan n ALA 19 Cb 0.55 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 0.81 0.00 0.20 0.00 4.19 -1.26 -4.82 117.16 116.27 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 0.42 0.01 -0.02 0.00 0.49 0.00 0.00 39.34 40.23 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 -0.86 -5.88 -4.93 0.00 7.64 -1.21 -4.92 113.62 103.46 2dan n SER 22 Ca 0.01 -0.22 -0.28 0.00 1.01 0.00 0.00 58.87 59.39 2dan n SER 22 Cb 0.07 -4.74 -0.03 0.00 -1.01 0.00 0.00 64.21 58.50 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 -3.12 3.94 -0.48 -0.43 0.00 -1.26 -4.44 121.76 115.96 2dan s ALA 23 Ca 0.23 -0.89 -0.42 0.00 0.00 0.00 0.00 51.96 50.88 2dan s ALA 23 Cb -0.10 -1.87 -0.18 0.00 0.00 0.00 0.00 23.12 20.97 2dan s ALA 23 CO 0.28 0.62 2.16 0.39 0.00 0.00 0.00 175.76 179.22 2dan n GLU 24 N -0.26 0.22 -3.10 0.00 1.02 -1.26 0.32 120.64 117.57 2dan n GLU 24 Ca -0.05 0.06 -0.29 0.00 -0.02 0.00 0.00 57.16 56.86 2dan n GLU 24 Cb 0.53 -1.70 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 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 6.35 3.52 0.00 0.62 0.00 -1.19 -4.50 121.76 126.55 2dan s ALA 25 Ca 1.18 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2dan s ALA 25 Cb -1.36 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 19.31 2dan s ALA 25 CO 0.62 0.07 0.00 0.43 0.00 0.00 0.00 175.76 176.88 2dan n SER 26 N -1.28 3.20 -4.31 0.00 7.64 -1.26 -4.07 113.62 113.53 2dan n SER 26 Ca -0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.59 2dan n SER 26 Cb 0.54 0.31 -0.14 0.00 -1.01 0.00 0.00 64.21 63.91 2dan n SER 26 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2dan s LYS 27 N -1.64 1.61 0.39 1.43 -0.14 -1.26 -5.05 119.74 115.07 2dan s LYS 27 Ca 0.00 -1.06 0.08 0.00 -1.36 0.00 0.00 55.97 53.62 2dan s LYS 27 Cb 0.00 -1.78 -0.00 0.00 -1.68 0.00 0.00 37.83 34.37 2dan s LYS 27 CO 0.00 0.46 0.50 1.03 -0.76 0.00 0.00 175.35 176.58 2dan s ARG 28 N -1.28 2.88 -0.23 1.68 0.52 -1.26 -2.30 118.95 118.97 2dan s ARG 28 Ca 0.10 -1.20 -0.32 0.00 -0.52 0.00 0.00 55.73 53.78 2dan s ARG 28 Cb -0.10 -2.72 -0.09 0.00 0.52 0.00 0.00 34.95 32.56 2dan s ARG 28 CO 0.02 -0.14 2.12 0.00 0.02 0.00 0.00 175.30 177.32 2dan n SER 30 N 9.66 0.00 -0.09 0.00 7.64 -1.26 0.25 113.62 129.82 2dan n SER 30 Ca 0.32 -0.20 -0.21 0.00 1.01 0.00 0.00 58.87 59.79 2dan n SER 30 Cb 0.33 -0.11 -0.12 0.00 -1.01 0.00 0.00 64.21 63.30 2dan n SER 30 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2dan h ARG 31 N 0.00 0.04 0.00 1.43 3.08 -2.00 -3.43 114.38 113.49 2dan h ARG 31 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2dan h ARG 31 Cb 0.04 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2dan h ARG 31 CO 0.00 1.03 -0.79 0.00 -1.07 0.00 0.00 179.97 179.14 2dan n GLN 33 N -1.42 -2.89 -0.02 0.00 3.00 0.70 -4.81 117.38 111.94 2dan n GLN 33 Ca 0.00 0.63 0.01 0.00 -0.01 0.00 0.00 57.00 57.63 2dan n GLN 33 Cb 0.18 -4.89 0.02 0.00 0.00 0.00 0.00 30.24 25.56 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 -1.04 1.59 -4.24 1.08 3.02 -1.26 -4.81 115.26 109.59 2dan n ASN 34 Ca -0.09 -1.43 -0.14 0.00 -0.03 0.00 0.00 54.58 52.89 2dan n ASN 34 Cb 0.59 -0.02 -0.10 0.00 -0.61 0.00 0.00 39.78 39.64 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 -0.51 1.07 0.12 3.52 2.56 -1.26 -5.00 118.70 119.21 2dan s GLU 35 Ca 0.04 -1.49 0.10 0.00 0.00 0.00 0.00 54.97 53.62 2dan s GLU 35 Cb 0.03 -0.41 -0.04 0.00 2.00 0.00 0.00 34.13 35.71 2dan s GLU 35 CO 0.04 -0.04 -0.25 -1.58 -0.56 0.00 0.00 175.26 172.86 2dan s TRP 36 N -3.52 2.37 -0.25 5.30 0.52 -1.26 -1.32 118.94 120.78 2dan s TRP 36 Ca 0.20 -0.35 -0.09 0.00 0.02 0.00 0.00 56.10 55.88 2dan s TRP 36 Cb 0.05 -1.29 0.11 0.00 -1.15 0.00 0.00 33.47 31.18 2dan s TRP 36 CO 0.02 0.33 0.54 0.71 0.02 0.00 0.00 176.95 178.57 2dan s TYR 37 N -1.05 -1.05 0.31 -1.98 2.02 -0.97 -2.16 117.35 112.47 2dan s TYR 37 Ca 0.15 1.92 0.02 0.00 -0.37 0.00 0.00 57.07 58.78 2dan s TYR 37 Cb -0.10 0.55 0.57 0.00 -0.40 0.00 0.00 41.96 42.58 2dan s TYR 37 CO 0.07 -0.56 1.92 0.00 -1.57 0.00 0.00 175.55 175.41 2dan h ARG 40 N 3.02 0.18 -0.65 0.00 9.65 -1.99 -2.88 114.38 121.71 2dan h ARG 40 Ca -0.35 -0.01 0.12 0.00 -1.10 0.00 0.00 59.98 58.64 2dan h ARG 40 Cb 1.16 -0.04 -0.12 0.00 -1.39 0.00 0.00 29.97 29.57 2dan h ARG 40 CO 0.65 0.12 -0.27 1.49 2.80 0.00 0.00 179.97 184.76 2dan h GLU 41 N 0.19 -0.09 -0.34 0.20 4.81 -1.98 0.00 114.58 117.36 2dan h GLU 41 Ca 0.05 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.36 2dan h GLU 41 Cb -0.02 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 2dan h GLU 41 CO -0.01 -0.06 -0.07 0.00 -0.73 0.00 0.00 179.01 178.13 2dan n GLN 43 N -5.26 0.12 -0.09 0.00 7.27 -0.07 -0.84 117.38 118.51 2dan n GLN 43 Ca 0.01 0.61 -0.11 0.00 0.07 0.00 0.00 57.00 57.58 2dan n GLN 43 Cb 0.19 -1.98 -0.15 0.00 2.41 0.00 0.00 30.24 30.70 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 -2.16 1.42 -0.04 1.69 0.31 0.91 -3.71 118.33 116.76 2dan n VAL 44 Ca -0.01 -0.83 -0.14 0.00 -0.01 0.00 0.00 64.34 63.35 2dan n VAL 44 Cb 0.12 -0.61 -0.09 0.00 -0.91 0.00 0.00 33.84 32.35 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 0.11 -3.07 116.57 120.98 2dan h LYS 45 Ca -0.53 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.08 2dan h LYS 45 Cb 2.20 0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.53 2dan h LYS 45 CO 0.03 0.78 0.00 1.58 -0.57 0.00 0.00 179.45 181.26 2dan n HIS 46 N -4.57 0.00 -0.34 -1.35 -0.00 -0.53 -3.94 115.22 104.50 2dan n HIS 46 Ca -0.08 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.04 2dan n HIS 46 Cb 0.41 -0.49 -0.03 0.00 -0.12 0.00 0.00 29.99 29.76 2dan n HIS 46 CO 0.00 0.00 0.00 2.35 0.46 0.00 0.00 176.34 179.15 2dan h TRP 47 N 0.00 -1.43 -1.26 1.57 2.91 -1.61 0.74 115.95 116.86 2dan h TRP 47 Ca 0.00 0.11 0.41 0.00 1.13 0.00 0.00 58.89 60.54 2dan h TRP 47 Cb 0.39 0.75 -0.10 0.00 -0.51 0.00 0.00 29.16 29.69 2dan h TRP 47 CO 0.00 -0.40 0.85 -1.91 -1.03 0.00 0.00 178.44 175.95 2dan n GLU 48 N -5.38 -0.02 -0.12 2.65 2.13 -1.25 0.94 120.64 119.59 2dan n GLU 48 Ca 0.05 0.96 -0.22 0.00 0.66 0.00 0.00 57.16 58.61 2dan n GLU 48 Cb 0.34 -1.99 -0.12 0.00 0.27 0.00 0.00 31.44 29.94 2dan n GLU 48 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2dan n LYS 49 N -4.06 0.64 0.35 5.31 5.02 0.22 -4.48 118.16 121.16 2dan n LYS 49 Ca 0.33 0.21 -0.17 0.00 -2.02 0.00 0.00 58.31 56.67 2dan n LYS 49 Cb 1.37 -1.54 -0.09 0.00 -0.02 0.00 0.00 35.03 34.75 2dan n LYS 49 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2dan h HIS 50 N -0.31 -0.81 -1.71 2.13 2.76 0.38 -2.72 115.15 114.87 2dan h HIS 50 Ca -0.59 -0.02 0.51 0.00 -2.20 0.00 0.00 60.37 58.07 2dan h HIS 50 Cb 1.81 0.27 -0.09 0.00 1.55 0.00 0.00 27.41 30.95 2dan h HIS 50 CO 0.01 -0.48 1.21 0.41 -1.30 0.00 0.00 177.93 177.78 2dan n GLY 51 N -1.21 -0.89 0.16 5.26 0.00 0.27 0.83 105.19 109.61 2dan n GLY 51 Ca -0.13 0.66 -0.05 0.00 0.00 0.00 0.00 46.02 46.50 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 0.19 0.00 1.61 1.57 -1.65 -2.84 116.57 115.45 2dan h LYS 52 Ca 0.86 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.63 2dan h LYS 52 Cb 3.31 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 35.57 2dan h LYS 52 CO -0.11 0.13 -0.97 0.25 -0.57 0.00 0.00 179.45 178.19 2dan n THR 53 N -5.10 0.00 -0.76 -0.16 -2.24 0.24 -5.00 114.28 101.26 2dan n THR 53 Ca 0.02 -0.08 -0.33 0.00 -2.27 0.00 0.00 64.05 61.39 2dan n THR 53 Cb 0.18 0.93 0.14 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.90 -6.15 0.00 0.00 2.88 -1.26 -4.96 113.62 103.23 2dan n SER 55 Ca 0.03 -0.50 0.00 0.00 -1.33 0.00 0.00 58.87 57.06 2dan n SER 55 Cb 0.59 -4.87 0.00 0.00 -0.75 0.00 0.00 64.21 59.18 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 -1.86 -1.72 3.65 0.46 0.00 -1.21 -4.74 105.19 99.79 2dan n GLY 56 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 4.13 1.10 1.61 0.04 -1.26 -5.00 135.00 135.61 2dan s PRO 57 Ca 0.00 1.95 -0.12 0.00 0.04 0.00 0.00 61.00 62.87 2dan s PRO 57 Cb 0.00 -3.93 0.24 0.00 0.04 0.00 0.00 34.50 30.85 2dan s PRO 57 CO 0.00 -0.89 1.05 -1.12 0.04 0.00 0.00 177.00 176.09 2dan s SER 58 N 3.13 1.60 0.14 6.66 0.01 -1.26 -4.95 113.70 119.02 2dan s SER 58 Ca 0.68 1.53 0.00 0.00 1.31 0.00 0.00 55.95 59.46 2dan s SER 58 Cb -0.29 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2dan s SER 58 CO 0.25 -3.82 0.00 -0.24 0.41 0.00 0.00 173.24 169.84 2dan n SER 59 N -4.66 0.84 0.00 2.44 2.88 -1.26 -5.19 113.62 108.66 2dan n SER 59 Ca 0.04 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2dan n SER 59 Cb 0.55 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 2dan n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42