#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 1.72 -3.76 1.61 7.64 -1.26 -5.04 113.62 114.53 2dan n SER 2 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 2dan n SER 2 Cb 0.00 -0.02 0.05 0.00 -1.01 0.00 0.00 64.21 63.23 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 -2.82 -4.66 -4.23 6.43 2.88 -1.26 -4.87 113.62 105.09 2dan n SER 3 Ca -0.02 -0.70 -0.43 0.00 -1.33 0.00 0.00 58.87 56.39 2dan n SER 3 Cb 0.51 -4.34 0.00 0.00 -0.75 0.00 0.00 64.21 59.63 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 -1.74 3.63 3.88 0.46 0.00 -1.26 -4.98 105.19 105.17 2dan n GLY 4 Ca -0.03 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 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 2.93 6.40 0.32 1.61 0.01 -1.26 -5.09 113.70 118.62 2dan s SER 5 Ca 0.46 1.20 0.07 0.00 1.31 0.00 0.00 55.95 59.00 2dan s SER 5 Cb 0.05 -2.36 -0.02 0.00 0.21 0.00 0.00 66.02 63.90 2dan s SER 5 CO 0.01 -0.58 0.38 -0.94 0.41 0.00 0.00 173.24 172.52 2dan s SER 6 N -3.63 5.72 -0.07 2.44 1.04 -1.26 -5.12 113.70 112.82 2dan s SER 6 Ca 0.52 -0.28 0.04 0.00 0.48 0.00 0.00 55.95 56.71 2dan s SER 6 Cb -0.10 -1.20 -0.00 0.00 0.10 0.00 0.00 66.02 64.82 2dan s SER 6 CO 0.40 -0.35 -0.22 -0.83 0.98 0.00 0.00 173.24 173.22 2dan s GLY 7 N -4.07 1.19 -0.52 7.32 0.00 -1.26 -5.09 107.32 104.89 2dan s GLY 7 Ca 0.42 -0.88 -0.06 0.00 0.00 0.00 0.00 44.72 44.20 2dan s GLY 7 CO 0.29 -0.37 0.36 1.08 0.00 0.00 0.00 173.10 174.46 2dan s LEU 8 N 0.19 5.56 -0.92 0.66 1.43 -1.26 -5.02 118.68 119.32 2dan s LEU 8 Ca -0.11 -2.21 -0.13 0.00 -1.03 0.00 0.00 54.13 50.65 2dan s LEU 8 Cb -0.15 -1.94 0.24 0.00 0.03 0.00 0.00 46.19 44.36 2dan s LEU 8 CO 0.06 -0.57 0.88 -0.70 0.23 0.00 0.00 176.35 176.24 2dan s GLU 9 N 0.90 3.80 -0.23 1.70 2.12 -1.26 -4.96 118.70 120.76 2dan s GLU 9 Ca 0.10 -2.70 -0.04 0.00 0.36 0.00 0.00 54.97 52.69 2dan s GLU 9 Cb -0.23 -4.47 0.09 0.00 0.26 0.00 0.00 34.13 29.78 2dan s GLU 9 CO -0.03 -1.28 0.15 0.00 -0.54 0.00 0.00 175.26 173.56 2dan s ALA 10 N -0.27 0.29 -0.47 6.30 0.00 -1.26 -5.11 121.76 121.24 2dan s ALA 10 Ca 0.22 -0.51 -0.20 0.00 0.00 0.00 0.00 51.96 51.47 2dan s ALA 10 Cb -0.10 -1.29 0.04 0.00 0.00 0.00 0.00 23.12 21.76 2dan s ALA 10 CO -0.09 -1.42 0.61 0.54 0.00 0.00 0.00 175.76 175.41 2dan s VAL 11 N 2.18 4.87 0.11 0.00 0.11 -1.26 -5.05 120.40 121.36 2dan s VAL 11 Ca 0.06 -0.22 0.09 0.00 -2.93 0.00 0.00 61.98 58.98 2dan s VAL 11 Cb -0.16 -4.23 -0.04 0.00 -1.53 0.00 0.00 36.38 30.42 2dan s VAL 11 CO -0.23 -0.68 -0.18 0.00 -3.33 0.00 0.00 175.10 170.68 2dan s ALA 12 N 2.67 2.66 1.00 1.54 0.00 -1.26 -5.14 121.76 123.23 2dan s ALA 12 Ca 0.18 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.81 2dan s ALA 12 Cb -0.17 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.30 2dan s ALA 12 CO 0.15 0.59 0.00 -0.35 0.00 0.00 0.00 175.76 176.15 2dan n PRO 13 N 0.92 0.21 -3.85 0.00 -0.04 -1.26 -5.06 135.00 125.91 2dan n PRO 13 Ca -0.16 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.10 2dan n PRO 13 Cb 0.53 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.96 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 -1.17 3.14 -0.05 0.54 1.03 -1.26 -5.13 118.70 115.80 2dan s GLU 14 Ca 0.00 -0.97 -0.19 0.00 0.03 0.00 0.00 54.97 53.84 2dan s GLU 14 Cb 0.00 -2.74 0.04 0.00 -0.80 0.00 0.00 34.13 30.63 2dan s GLU 14 CO 0.00 0.28 0.44 -0.98 -1.33 0.00 0.00 175.26 173.67 2dan s ARG 15 N -4.00 0.75 0.00 -4.83 1.70 -1.26 -5.18 118.95 106.14 2dan s ARG 15 Ca 0.37 0.07 0.00 0.00 -0.47 0.00 0.00 55.73 55.71 2dan s ARG 15 Cb -0.08 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.64 2dan s ARG 15 CO 0.28 -0.20 0.00 -0.35 -1.08 0.00 0.00 175.30 173.95 2dan n PRO 16 N 1.44 0.21 -3.73 3.89 -0.04 -1.26 -4.91 135.00 130.59 2dan n PRO 16 Ca -0.19 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.14 2dan n PRO 16 Cb 0.56 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 -1.18 0.42 1.03 0.54 6.06 -1.26 -3.43 118.95 121.13 2dan s ARG 17 Ca 0.00 0.57 -0.14 0.00 -2.50 0.00 0.00 55.73 53.66 2dan s ARG 17 Cb 0.00 0.15 0.11 0.00 0.06 0.00 0.00 34.95 35.27 2dan s ARG 17 CO 0.00 -0.08 0.45 0.00 -2.50 0.00 0.00 175.30 173.17 2dan n ALA 19 N -4.15 2.34 0.00 0.00 0.00 -0.91 -3.35 120.51 114.44 2dan n ALA 19 Ca 0.05 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2dan n ALA 19 Cb 0.56 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 0.67 0.00 0.11 0.00 4.19 -1.26 -4.82 117.16 116.05 2dan n TYR 20 Ca 0.10 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.32 2dan n TYR 20 Cb 0.38 0.00 -0.01 0.00 0.49 0.00 0.00 39.34 40.20 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 -0.96 -6.16 -4.83 0.00 7.64 -1.21 -4.92 113.62 103.17 2dan n SER 22 Ca 0.01 -0.42 -0.25 0.00 1.01 0.00 0.00 58.87 59.22 2dan n SER 22 Cb 0.04 -4.86 -0.05 0.00 -1.01 0.00 0.00 64.21 58.33 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 -3.25 3.65 -0.46 -0.43 0.00 -1.26 -4.50 121.76 115.52 2dan s ALA 23 Ca 0.45 -1.23 -0.42 0.00 0.00 0.00 0.00 51.96 50.77 2dan s ALA 23 Cb -0.20 -1.43 -0.17 0.00 0.00 0.00 0.00 23.12 21.32 2dan s ALA 23 CO 0.56 0.44 2.14 0.39 0.00 0.00 0.00 175.76 179.29 2dan n GLU 24 N -0.61 0.29 -3.26 0.00 1.02 -1.26 0.22 120.64 117.04 2dan n GLU 24 Ca -0.08 0.08 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 2dan n GLU 24 Cb 0.55 -1.76 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 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 6.26 3.59 0.00 0.62 0.00 -1.22 -4.47 121.76 126.54 2dan s ALA 25 Ca 1.17 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.58 2dan s ALA 25 Cb -1.33 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2dan s ALA 25 CO 0.62 0.18 0.00 0.43 0.00 0.00 0.00 175.76 176.98 2dan n SER 26 N -1.08 2.98 -4.43 0.00 7.64 -1.26 -4.25 113.62 113.22 2dan n SER 26 Ca -0.01 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.55 2dan n SER 26 Cb 0.54 0.15 -0.14 0.00 -1.01 0.00 0.00 64.21 63.75 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 -1.67 2.21 0.35 1.43 -0.14 -1.26 -5.04 119.74 115.62 2dan s LYS 27 Ca 0.00 -0.88 0.07 0.00 -1.36 0.00 0.00 55.97 53.80 2dan s LYS 27 Cb 0.00 -2.21 -0.01 0.00 -1.68 0.00 0.00 37.83 33.93 2dan s LYS 27 CO 0.00 0.57 0.49 1.03 -0.76 0.00 0.00 175.35 176.68 2dan s ARG 28 N -1.03 3.06 -0.27 1.68 0.52 -1.26 -2.41 118.95 119.24 2dan s ARG 28 Ca 0.13 -1.05 -0.32 0.00 -0.52 0.00 0.00 55.73 53.96 2dan s ARG 28 Cb -0.10 -2.81 -0.09 0.00 0.52 0.00 0.00 34.95 32.47 2dan s ARG 28 CO 0.02 -0.00 2.18 0.00 0.02 0.00 0.00 175.30 177.52 2dan n SER 30 N 10.35 0.00 -0.08 0.00 7.64 -1.26 0.27 113.62 130.54 2dan n SER 30 Ca 0.35 0.16 -0.13 0.00 1.01 0.00 0.00 58.87 60.25 2dan n SER 30 Cb 0.33 -0.28 -0.09 0.00 -1.01 0.00 0.00 64.21 63.16 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 0.00 0.00 1.43 3.08 -2.01 -3.43 114.38 113.45 2dan h ARG 31 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2dan h ARG 31 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2dan h ARG 31 CO 0.00 0.73 -0.98 0.00 -1.07 0.00 0.00 179.97 178.65 2dan n GLN 33 N -1.73 -1.14 -0.08 0.00 3.00 0.76 -4.77 117.38 113.43 2dan n GLN 33 Ca 0.00 0.71 0.04 0.00 -0.01 0.00 0.00 57.00 57.74 2dan n GLN 33 Cb 0.25 -5.00 0.08 0.00 0.00 0.00 0.00 30.24 25.58 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 -0.72 2.27 -4.29 1.08 3.02 -1.26 -4.81 115.26 110.54 2dan n ASN 34 Ca -0.17 -1.72 -0.15 0.00 -0.03 0.00 0.00 54.58 52.51 2dan n ASN 34 Cb 0.62 -0.10 -0.10 0.00 -0.61 0.00 0.00 39.78 39.59 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 -0.87 1.32 0.11 3.52 2.56 -1.26 -5.01 118.70 119.06 2dan s GLU 35 Ca 0.14 -1.69 0.08 0.00 0.00 0.00 0.00 54.97 53.50 2dan s GLU 35 Cb 0.08 -0.24 -0.04 0.00 2.00 0.00 0.00 34.13 35.94 2dan s GLU 35 CO 0.11 -0.25 -0.21 -1.58 -0.56 0.00 0.00 175.26 172.77 2dan s TRP 36 N -3.75 1.84 -0.24 5.30 0.52 -1.26 -2.13 118.94 119.21 2dan s TRP 36 Ca 0.34 -0.42 -0.10 0.00 0.02 0.00 0.00 56.10 55.95 2dan s TRP 36 Cb 0.07 -1.00 0.10 0.00 -1.15 0.00 0.00 33.47 31.49 2dan s TRP 36 CO 0.11 0.23 0.54 0.71 0.02 0.00 0.00 176.95 178.55 2dan s TYR 37 N -1.21 -1.02 0.33 -1.98 2.02 -1.01 -2.14 117.35 112.33 2dan s TYR 37 Ca 0.08 1.89 0.02 0.00 -0.37 0.00 0.00 57.07 58.68 2dan s TYR 37 Cb -0.10 0.53 0.60 0.00 -0.40 0.00 0.00 41.96 42.60 2dan s TYR 37 CO 0.05 -0.54 1.97 0.00 -1.57 0.00 0.00 175.55 175.46 2dan h ARG 40 N 2.81 0.37 -0.52 0.00 9.65 -1.99 -3.01 114.38 121.69 2dan h ARG 40 Ca -0.36 -0.08 0.10 0.00 -1.10 0.00 0.00 59.98 58.54 2dan h ARG 40 Cb 1.20 -0.05 -0.11 0.00 -1.39 0.00 0.00 29.97 29.62 2dan h ARG 40 CO 0.61 0.44 -0.31 1.49 2.80 0.00 0.00 179.97 185.00 2dan h GLU 41 N 0.22 -0.17 -0.32 0.20 4.81 -1.99 -0.89 114.58 116.44 2dan h GLU 41 Ca 0.08 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.39 2dan h GLU 41 Cb 0.23 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.57 2dan h GLU 41 CO -0.00 -0.12 -0.16 0.00 -0.73 0.00 0.00 179.01 178.00 2dan n GLN 43 N -5.34 0.06 -0.11 0.00 7.27 -0.39 -1.08 117.38 117.78 2dan n GLN 43 Ca 0.01 0.52 -0.15 0.00 0.07 0.00 0.00 57.00 57.45 2dan n GLN 43 Cb 0.25 -1.80 -0.13 0.00 2.41 0.00 0.00 30.24 30.98 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 -1.81 1.40 -0.04 1.69 0.31 0.14 -3.78 118.33 116.24 2dan n VAL 44 Ca -0.01 -0.65 -0.12 0.00 -0.01 0.00 0.00 64.34 63.55 2dan n VAL 44 Cb 0.11 -1.05 -0.07 0.00 -0.91 0.00 0.00 33.84 31.91 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 0.22 0.00 5.55 1.57 0.85 -2.83 116.57 121.92 2dan h LYS 45 Ca -0.55 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 2dan h LYS 45 Cb 1.99 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.29 2dan h LYS 45 CO -0.04 0.55 0.00 1.58 -0.57 0.00 0.00 179.45 180.96 2dan n HIS 46 N -4.73 0.00 -0.38 -1.35 -0.00 -0.48 -4.04 115.22 104.23 2dan n HIS 46 Ca -0.06 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.01 2dan n HIS 46 Cb 0.26 -0.39 -0.09 0.00 -0.12 0.00 0.00 29.99 29.64 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 -1.74 -0.92 1.57 2.91 -1.59 0.77 115.95 116.95 2dan h TRP 47 Ca 0.00 0.12 0.36 0.00 1.13 0.00 0.00 58.89 60.50 2dan h TRP 47 Cb 0.32 0.88 -0.14 0.00 -0.51 0.00 0.00 29.16 29.72 2dan h TRP 47 CO 0.00 -0.34 0.53 -1.91 -1.03 0.00 0.00 178.44 175.69 2dan n GLU 48 N -5.07 -0.04 -0.01 2.65 2.13 -1.26 0.23 120.64 119.27 2dan n GLU 48 Ca 0.02 1.09 -0.12 0.00 0.66 0.00 0.00 57.16 58.81 2dan n GLU 48 Cb 0.24 -2.02 -0.14 0.00 0.27 0.00 0.00 31.44 29.79 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 0.07 0.13 5.31 6.56 0.01 -3.38 116.57 125.28 2dan h LYS 49 Ca 0.70 -0.12 -0.01 0.00 -1.06 0.00 0.00 60.65 60.16 2dan h LYS 49 Cb 1.99 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 33.70 2dan h LYS 49 CO -0.55 0.70 -0.06 1.25 -2.06 0.00 0.00 179.45 178.73 2dan h HIS 50 N 0.02 -0.16 -1.36 -1.35 2.76 0.71 -3.30 115.15 112.47 2dan h HIS 50 Ca -0.30 -0.00 0.41 0.00 -2.20 0.00 0.00 60.37 58.27 2dan h HIS 50 Cb 2.01 0.05 -0.07 0.00 1.55 0.00 0.00 27.41 30.95 2dan h HIS 50 CO 0.02 -0.10 0.96 0.41 -1.30 0.00 0.00 177.93 177.92 2dan n GLY 51 N 1.28 -0.71 0.18 5.26 0.00 0.40 0.10 105.19 111.70 2dan n GLY 51 Ca -0.02 0.53 -0.03 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 0.11 0.00 1.61 1.57 -1.72 -2.77 116.57 115.38 2dan h LYS 52 Ca 0.69 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.46 2dan h LYS 52 Cb 2.64 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.92 2dan h LYS 52 CO -0.10 0.08 -1.12 0.25 -0.57 0.00 0.00 179.45 177.98 2dan n THR 53 N -5.21 0.00 -0.81 -0.16 -2.24 0.29 -5.01 114.28 101.14 2dan n THR 53 Ca 0.04 -0.17 -0.35 0.00 -2.27 0.00 0.00 64.05 61.31 2dan n THR 53 Cb 0.24 0.75 0.12 0.00 -2.10 0.00 0.00 70.33 69.34 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 0.22 -3.58 0.00 0.00 7.64 -1.26 -4.96 113.62 111.67 2dan n SER 55 Ca 0.01 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 59.12 2dan n SER 55 Cb 0.64 -4.12 0.00 0.00 -1.01 0.00 0.00 64.21 59.72 2dan n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dan n GLY 56 N -1.67 -0.88 0.00 0.23 0.00 -1.21 -4.38 105.19 97.29 2dan n GLY 56 Ca -0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.99 2dan n GLY 56 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dan n PRO 57 N 0.00 0.00 -2.13 1.61 -0.04 -1.26 -4.54 135.00 128.64 2dan n PRO 57 Ca 0.00 0.26 -0.43 0.00 -0.04 0.00 0.00 63.50 63.29 2dan n PRO 57 Cb 0.00 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2dan n PRO 57 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dan s SER 58 N -3.02 6.63 -1.28 3.54 0.15 -1.26 -3.22 113.70 115.24 2dan s SER 58 Ca 0.07 1.91 -0.04 0.00 0.70 0.00 0.00 55.95 58.59 2dan s SER 58 Cb 0.09 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.86 2dan s SER 58 CO 0.26 -1.00 0.68 -1.20 1.20 0.00 0.00 173.24 173.18 2dan n SER 59 N 7.47 -2.12 0.00 5.45 7.64 -1.26 -4.92 113.62 125.88 2dan n SER 59 Ca 0.17 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 59.17 2dan n SER 59 Cb 0.44 -3.84 0.00 0.00 -1.01 0.00 0.00 64.21 59.80 2dan n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64