#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dan s SER 2 N 0.00 0.08 0.23 1.61 1.04 -1.26 -5.18 113.70 110.22 2dan s SER 2 Ca 0.00 -1.03 0.09 0.00 0.48 0.00 0.00 55.95 55.49 2dan s SER 2 Cb 0.00 0.63 -0.05 0.00 0.10 0.00 0.00 66.02 66.70 2dan s SER 2 CO 0.00 -1.23 -0.15 -0.44 0.98 0.00 0.00 173.24 172.40 2dan s SER 3 N -3.06 2.83 0.00 7.02 0.01 -1.26 -5.11 113.70 114.14 2dan s SER 3 Ca 0.23 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.45 2dan s SER 3 Cb -0.01 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.04 2dan s SER 3 CO 0.11 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2dan n GLY 4 N -0.45 -2.11 2.85 3.44 0.00 -1.26 -5.14 105.19 102.52 2dan n GLY 4 Ca -0.07 1.06 -0.14 0.00 0.00 0.00 0.00 46.02 46.87 2dan n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dan s SER 5 N 0.00 0.75 0.16 1.61 1.04 -1.26 -5.13 113.70 110.87 2dan s SER 5 Ca 0.00 0.06 -0.31 0.00 0.48 0.00 0.00 55.95 56.18 2dan s SER 5 Cb 0.00 0.76 -0.09 0.00 0.10 0.00 0.00 66.02 66.79 2dan s SER 5 CO 0.00 -0.31 1.47 -0.94 0.98 0.00 0.00 173.24 174.45 2dan s SER 6 N 2.44 6.70 -0.59 7.02 1.04 -1.26 -4.93 113.70 124.12 2dan s SER 6 Ca 0.09 2.50 0.02 0.00 0.48 0.00 0.00 55.95 59.04 2dan s SER 6 Cb -0.15 -2.59 0.41 0.00 0.10 0.00 0.00 66.02 63.78 2dan s SER 6 CO -0.14 -0.73 1.58 0.61 0.98 0.00 0.00 173.24 175.54 2dan n GLY 7 N 3.43 5.89 2.25 7.32 0.00 -1.26 -4.72 105.19 118.10 2dan n GLY 7 Ca 0.12 -2.58 -0.31 0.00 0.00 0.00 0.00 46.02 43.24 2dan n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dan n LEU 8 N -0.61 6.74 -4.18 0.99 4.77 -1.26 -4.89 117.00 118.56 2dan n LEU 8 Ca 0.49 -4.48 -0.40 0.00 -0.03 0.00 0.00 56.01 51.59 2dan n LEU 8 Cb 0.57 -0.76 -0.07 0.00 -2.33 0.00 0.00 43.42 40.82 2dan n LEU 8 CO 0.48 1.71 0.12 -0.70 -1.33 0.00 0.00 177.39 177.66 2dan s GLU 9 N -3.76 2.80 -0.23 3.23 2.56 -1.26 -5.00 118.70 117.04 2dan s GLU 9 Ca 0.60 -2.35 -0.03 0.00 0.00 0.00 0.00 54.97 53.19 2dan s GLU 9 Cb 0.47 -3.94 0.11 0.00 2.00 0.00 0.00 34.13 32.76 2dan s GLU 9 CO -0.01 -1.20 0.25 0.00 -0.56 0.00 0.00 175.26 173.73 2dan s ALA 10 N 0.30 -0.35 -0.38 6.30 0.00 -1.26 -5.11 121.76 121.25 2dan s ALA 10 Ca 0.15 0.13 -0.06 0.00 0.00 0.00 0.00 51.96 52.18 2dan s ALA 10 Cb -0.19 -1.47 0.08 0.00 0.00 0.00 0.00 23.12 21.54 2dan s ALA 10 CO -0.04 -1.35 0.18 0.08 0.00 0.00 0.00 175.76 174.63 2dan s VAL 11 N 2.35 3.69 0.06 0.00 1.01 -1.26 -5.09 120.40 121.15 2dan s VAL 11 Ca 0.08 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 60.53 2dan s VAL 11 Cb -0.15 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2dan s VAL 11 CO -0.18 -0.44 0.19 0.00 0.00 0.00 0.00 175.10 174.67 2dan s ALA 12 N 1.31 3.95 1.00 5.51 0.00 -1.26 -5.12 121.76 127.16 2dan s ALA 12 Ca 0.02 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2dan s ALA 12 Cb -0.22 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.12 2dan s ALA 12 CO -0.00 0.81 0.00 -0.35 0.00 0.00 0.00 175.76 176.22 2dan n PRO 13 N 0.37 0.26 -3.56 0.00 -0.04 -1.26 -5.11 135.00 125.66 2dan n PRO 13 Ca -0.06 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.34 2dan n PRO 13 Cb 0.51 0.00 -0.02 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 -1.09 0.54 -0.08 0.54 -1.05 -1.26 -5.19 118.70 111.12 2dan s GLU 14 Ca 0.00 -0.20 -0.30 0.00 -0.15 0.00 0.00 54.97 54.32 2dan s GLU 14 Cb 0.00 0.25 0.07 0.00 -0.44 0.00 0.00 34.13 34.00 2dan s GLU 14 CO 0.00 -0.24 0.67 -0.98 0.95 0.00 0.00 175.26 175.67 2dan s ARG 15 N -2.73 1.02 0.00 -4.83 1.04 -1.26 -5.18 118.95 107.01 2dan s ARG 15 Ca 0.08 0.34 0.00 0.00 -1.04 0.00 0.00 55.73 55.11 2dan s ARG 15 Cb -0.01 0.48 0.00 0.00 -2.04 0.00 0.00 34.95 33.38 2dan s ARG 15 CO -0.06 -0.29 0.00 -0.35 -0.04 0.00 0.00 175.30 174.55 2dan n PRO 16 N 1.16 0.30 -3.71 3.89 -0.04 -1.26 -4.93 135.00 130.41 2dan n PRO 16 Ca -0.18 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.15 2dan n PRO 16 Cb 0.57 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.93 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 -1.04 0.50 0.93 0.54 6.06 -1.26 -3.56 118.95 121.12 2dan s ARG 17 Ca 0.00 0.67 -0.12 0.00 -2.50 0.00 0.00 55.73 53.78 2dan s ARG 17 Cb 0.00 0.20 0.08 0.00 0.06 0.00 0.00 34.95 35.29 2dan s ARG 17 CO 0.00 -0.08 0.74 0.00 -2.50 0.00 0.00 175.30 173.46 2dan n ALA 19 N -3.87 2.39 0.00 0.00 0.00 -0.99 -3.05 120.51 114.98 2dan n ALA 19 Ca 0.09 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.64 2dan n ALA 19 Cb 0.53 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 1.03 0.00 0.24 0.00 4.19 -1.26 -4.82 117.16 116.55 2dan n TYR 20 Ca 0.14 0.00 0.02 0.00 3.31 0.00 0.00 57.90 61.37 2dan n TYR 20 Cb 0.48 0.01 -0.03 0.00 0.49 0.00 0.00 39.34 40.29 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 -1.05 -5.54 -4.72 0.00 7.64 -1.17 -4.92 113.62 103.84 2dan n SER 22 Ca 0.01 -0.53 -0.24 0.00 1.01 0.00 0.00 58.87 59.11 2dan n SER 22 Cb 0.08 -4.90 -0.06 0.00 -1.01 0.00 0.00 64.21 58.32 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 -3.32 3.36 -0.49 -0.43 0.00 -1.26 -4.53 121.76 115.09 2dan s ALA 23 Ca 0.47 -1.44 -0.41 0.00 0.00 0.00 0.00 51.96 50.59 2dan s ALA 23 Cb -0.21 -1.07 -0.17 0.00 0.00 0.00 0.00 23.12 21.67 2dan s ALA 23 CO 0.71 0.36 2.19 0.39 0.00 0.00 0.00 175.76 179.40 2dan n GLU 24 N -0.68 0.31 -3.11 0.00 1.02 -1.26 0.20 120.64 117.13 2dan n GLU 24 Ca -0.08 0.08 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 2dan n GLU 24 Cb 0.57 -1.79 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 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 6.62 3.49 0.00 0.62 0.00 -1.23 -4.46 121.76 126.79 2dan s ALA 25 Ca 1.18 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2dan s ALA 25 Cb -1.29 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 19.33 2dan s ALA 25 CO 0.60 0.13 0.00 0.43 0.00 0.00 0.00 175.76 176.92 2dan n SER 26 N -1.08 3.09 -4.37 0.00 7.64 -1.25 -4.35 113.62 113.30 2dan n SER 26 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.57 2dan n SER 26 Cb 0.54 0.17 -0.15 0.00 -1.01 0.00 0.00 64.21 63.76 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 -1.69 2.25 0.41 1.43 -0.14 -1.25 -5.04 119.74 115.71 2dan s LYS 27 Ca 0.00 -0.85 0.05 0.00 -1.36 0.00 0.00 55.97 53.81 2dan s LYS 27 Cb 0.00 -2.16 0.00 0.00 -1.68 0.00 0.00 37.83 33.99 2dan s LYS 27 CO 0.00 0.58 0.57 1.03 -0.76 0.00 0.00 175.35 176.78 2dan s ARG 28 N -0.68 2.94 -0.22 1.68 0.52 -1.26 -2.30 118.95 119.63 2dan s ARG 28 Ca 0.11 -0.96 -0.33 0.00 -0.52 0.00 0.00 55.73 54.02 2dan s ARG 28 Cb -0.10 -2.71 -0.10 0.00 0.52 0.00 0.00 34.95 32.55 2dan s ARG 28 CO -0.00 -0.20 2.07 0.00 0.02 0.00 0.00 175.30 177.18 2dan n SER 30 N 8.90 0.00 -0.08 0.00 2.88 -1.26 0.26 113.62 124.32 2dan n SER 30 Ca 0.31 -0.45 -0.23 0.00 -1.33 0.00 0.00 58.87 57.18 2dan n SER 30 Cb 0.30 -0.03 -0.12 0.00 -0.75 0.00 0.00 64.21 63.61 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 -1.03 0.63 0.00 -1.46 1.74 -1.26 -4.75 116.66 110.54 2dan n ARG 31 Ca 0.12 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.61 2dan n ARG 31 Cb 0.06 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 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 -1.17 -1.32 -0.00 0.00 3.00 0.72 -4.48 117.38 114.12 2dan n GLN 33 Ca 0.00 0.83 0.05 0.00 -0.01 0.00 0.00 57.00 57.87 2dan n GLN 33 Cb 0.10 -5.24 0.04 0.00 0.00 0.00 0.00 30.24 25.14 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 -1.16 1.86 -4.37 1.08 3.02 -1.26 -4.79 115.26 109.64 2dan n ASN 34 Ca -0.20 -1.43 -0.19 0.00 -0.03 0.00 0.00 54.58 52.73 2dan n ASN 34 Cb 0.64 -0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.71 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 -0.84 1.42 0.13 3.52 2.56 -1.26 -5.00 118.70 119.23 2dan s GLU 35 Ca 0.12 -1.72 0.10 0.00 0.00 0.00 0.00 54.97 53.47 2dan s GLU 35 Cb 0.08 -0.86 -0.04 0.00 2.00 0.00 0.00 34.13 35.32 2dan s GLU 35 CO 0.13 -0.03 -0.24 -1.58 -0.56 0.00 0.00 175.26 172.98 2dan s TRP 36 N -3.24 2.07 -0.23 5.30 0.52 -1.26 -1.66 118.94 120.45 2dan s TRP 36 Ca 0.28 -0.40 -0.12 0.00 0.02 0.00 0.00 56.10 55.89 2dan s TRP 36 Cb 0.05 -1.11 0.08 0.00 -1.15 0.00 0.00 33.47 31.33 2dan s TRP 36 CO 0.10 0.30 0.55 0.71 0.02 0.00 0.00 176.95 178.63 2dan s TYR 37 N -1.22 -0.90 0.29 -1.98 2.02 -0.97 -2.35 117.35 112.25 2dan s TYR 37 Ca 0.12 1.77 0.00 0.00 -0.37 0.00 0.00 57.07 58.59 2dan s TYR 37 Cb -0.10 0.48 0.45 0.00 -0.40 0.00 0.00 41.96 42.40 2dan s TYR 37 CO 0.06 -0.47 1.84 0.00 -1.57 0.00 0.00 175.55 175.41 2dan h ARG 40 N 2.57 0.48 -0.49 0.00 9.65 -1.99 -3.06 114.38 121.55 2dan h ARG 40 Ca -0.37 -0.19 0.10 0.00 -1.10 0.00 0.00 59.98 58.42 2dan h ARG 40 Cb 1.24 -0.02 -0.10 0.00 -1.39 0.00 0.00 29.97 29.70 2dan h ARG 40 CO 0.56 0.71 -0.28 1.49 2.80 0.00 0.00 179.97 185.26 2dan h GLU 41 N 0.22 -0.16 -0.12 0.20 4.81 -1.99 -1.34 114.58 116.20 2dan h GLU 41 Ca 0.06 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 2dan h GLU 41 Cb 0.54 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 2dan h GLU 41 CO 0.03 -0.11 -0.20 0.00 -0.73 0.00 0.00 179.01 178.00 2dan n GLN 43 N -5.34 0.10 -0.10 0.00 7.27 -0.58 -0.95 117.38 117.77 2dan n GLN 43 Ca -0.03 0.58 -0.12 0.00 0.07 0.00 0.00 57.00 57.50 2dan n GLN 43 Cb 0.25 -1.98 -0.13 0.00 2.41 0.00 0.00 30.24 30.80 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 -2.07 1.30 -0.03 1.69 0.31 0.65 -3.81 118.33 116.37 2dan n VAL 44 Ca -0.01 -0.66 -0.13 0.00 -0.01 0.00 0.00 64.34 63.53 2dan n VAL 44 Cb 0.17 -0.89 -0.08 0.00 -0.91 0.00 0.00 33.84 32.13 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 0.17 0.00 5.55 1.57 0.17 -2.95 116.57 121.08 2dan h LYS 45 Ca -0.51 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 2dan h LYS 45 Cb 1.99 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.29 2dan h LYS 45 CO -0.02 0.57 0.00 1.58 -0.57 0.00 0.00 179.45 181.01 2dan n HIS 46 N -4.74 0.00 -0.26 -1.35 -0.00 -0.29 -4.01 115.22 104.57 2dan n HIS 46 Ca -0.07 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.02 2dan n HIS 46 Cb 0.28 -0.48 -0.08 0.00 -0.12 0.00 0.00 29.99 29.59 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 -1.40 -1.57 1.57 2.91 -1.61 0.87 115.95 116.72 2dan h TRP 47 Ca 0.00 0.09 0.46 0.00 1.13 0.00 0.00 58.89 60.57 2dan h TRP 47 Cb 0.39 0.69 -0.07 0.00 -0.51 0.00 0.00 29.16 29.66 2dan h TRP 47 CO 0.00 -0.30 1.12 -1.91 -1.03 0.00 0.00 178.44 176.32 2dan n GLU 48 N -4.70 -0.00 -0.09 2.65 2.13 -1.26 0.19 120.64 119.56 2dan n GLU 48 Ca 0.00 0.88 -0.16 0.00 0.66 0.00 0.00 57.16 58.54 2dan n GLU 48 Cb 0.21 -2.02 -0.13 0.00 0.27 0.00 0.00 31.44 29.77 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 -3.60 0.68 0.21 5.31 5.02 0.25 -4.50 118.16 121.53 2dan n LYS 49 Ca 0.36 0.15 -0.11 0.00 -2.02 0.00 0.00 58.31 56.68 2dan n LYS 49 Cb 1.61 -1.57 -0.06 0.00 -0.02 0.00 0.00 35.03 34.99 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 0.01 -0.55 -1.17 2.13 2.76 0.68 -3.17 115.15 115.84 2dan h HIS 50 Ca -0.53 -0.01 0.37 0.00 -2.20 0.00 0.00 60.37 58.00 2dan h HIS 50 Cb 2.00 0.18 -0.08 0.00 1.55 0.00 0.00 27.41 31.07 2dan h HIS 50 CO 0.03 -0.25 0.81 0.41 -1.30 0.00 0.00 177.93 177.62 2dan n GLY 51 N 0.00 -0.64 0.25 5.26 0.00 0.19 0.75 105.19 111.00 2dan n GLY 51 Ca -0.09 0.51 -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 -0.11 0.00 1.61 1.57 -1.74 -2.58 116.57 115.31 2dan h LYS 52 Ca 0.64 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 2dan h LYS 52 Cb 2.32 0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.65 2dan h LYS 52 CO -0.17 -0.08 -1.26 0.25 -0.57 0.00 0.00 179.45 177.62 2dan n THR 53 N -5.38 0.00 -0.85 -0.16 -2.24 0.23 -5.00 114.28 100.87 2dan n THR 53 Ca 0.03 -0.16 -0.35 0.00 -2.27 0.00 0.00 64.05 61.30 2dan n THR 53 Cb 0.29 0.71 0.10 0.00 -2.10 0.00 0.00 70.33 69.33 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 0.80 -6.18 0.00 0.00 2.88 -1.26 -4.96 113.62 104.89 2dan n SER 55 Ca 0.01 -0.57 0.00 0.00 -1.33 0.00 0.00 58.87 56.98 2dan n SER 55 Cb 0.63 -4.89 0.00 0.00 -0.75 0.00 0.00 64.21 59.20 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 -1.72 0.00 0.46 0.00 -1.21 -4.49 105.19 96.26 2dan n GLY 56 Ca 0.01 -0.17 0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 0.49 -0.28 1.61 -0.04 -1.26 -4.19 135.00 131.33 2dan n PRO 57 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 2dan n PRO 57 Cb 0.00 -1.25 -0.05 0.00 -0.04 0.00 0.00 33.50 32.15 2dan n PRO 57 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dan n SER 58 N -0.75 -0.67 -4.56 3.54 2.88 -1.26 -3.35 113.62 109.45 2dan n SER 58 Ca 0.06 1.18 -0.16 0.00 -1.33 0.00 0.00 58.87 58.61 2dan n SER 58 Cb 0.03 -0.17 -0.07 0.00 -0.75 0.00 0.00 64.21 63.25 2dan n SER 58 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dan s SER 59 N -5.32 4.11 0.00 -3.46 0.01 -1.26 -5.08 113.70 102.70 2dan s SER 59 Ca -0.08 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2dan s SER 59 Cb 0.08 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2dan s SER 59 CO 0.42 -3.73 0.00 0.61 0.41 0.00 0.00 173.24 170.95