#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 2.40 -0.62 1.61 0.15 -1.26 -5.01 113.70 110.96 2dan s SER 2 Ca 0.00 0.54 -0.08 0.00 0.70 0.00 0.00 55.95 57.10 2dan s SER 2 Cb 0.00 -0.76 0.16 0.00 -1.71 0.00 0.00 66.02 63.71 2dan s SER 2 CO 0.00 -3.20 0.49 -0.55 1.20 0.00 0.00 173.24 171.18 2dan s SER 3 N -4.36 5.83 -0.46 5.45 0.15 -1.26 -4.93 113.70 114.12 2dan s SER 3 Ca 0.71 -2.45 0.06 0.00 0.70 0.00 0.00 55.95 54.97 2dan s SER 3 Cb -0.08 -2.01 0.22 0.00 -1.71 0.00 0.00 66.02 62.44 2dan s SER 3 CO 0.54 -0.55 0.67 0.61 1.20 0.00 0.00 173.24 175.72 2dan n GLY 4 N 4.16 0.94 3.58 9.45 0.00 -1.26 -5.14 105.19 116.91 2dan n GLY 4 Ca 0.03 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 2dan n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dan n SER 5 N 2.07 -0.52 -3.67 1.61 2.88 -1.26 -5.03 113.62 109.70 2dan n SER 5 Ca 0.17 0.40 -0.21 0.00 -1.33 0.00 0.00 58.87 57.90 2dan n SER 5 Cb 0.57 -1.38 -0.18 0.00 -0.75 0.00 0.00 64.21 62.47 2dan n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dan s SER 6 N -2.36 1.35 0.00 -3.46 0.01 -1.26 -5.09 113.70 102.88 2dan s SER 6 Ca 0.64 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.86 2dan s SER 6 Cb -0.23 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.83 2dan s SER 6 CO 0.61 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.61 2dan n GLY 7 N 5.29 0.22 3.59 3.44 0.00 -1.26 -5.03 105.19 111.43 2dan n GLY 7 Ca -0.04 -2.06 -0.23 0.00 0.00 0.00 0.00 46.02 43.69 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 0.00 -3.48 -4.12 0.99 4.77 -1.26 -4.98 117.00 108.93 2dan n LEU 8 Ca 0.00 -0.57 -0.34 0.00 -0.03 0.00 0.00 56.01 55.07 2dan n LEU 8 Cb 0.00 -3.03 -0.13 0.00 -2.33 0.00 0.00 43.42 37.92 2dan n LEU 8 CO 0.00 0.60 -0.30 -0.70 -1.33 0.00 0.00 177.39 175.67 2dan s GLU 9 N -6.17 2.10 -0.60 3.23 -6.30 -1.26 -5.06 118.70 104.64 2dan s GLU 9 Ca 0.49 -1.57 -0.27 0.00 -2.50 0.00 0.00 54.97 51.12 2dan s GLU 9 Cb -0.22 -3.30 -0.01 0.00 0.00 0.00 0.00 34.13 30.61 2dan s GLU 9 CO 0.73 -0.83 1.70 0.00 0.02 0.00 0.00 175.26 176.89 2dan s ALA 10 N 1.14 2.41 -0.29 6.30 0.00 -1.26 -4.96 121.76 125.10 2dan s ALA 10 Ca 0.02 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 2dan s ALA 10 Cb -0.21 -4.25 0.04 0.00 0.00 0.00 0.00 23.12 18.70 2dan s ALA 10 CO -0.04 -3.57 -0.00 0.54 0.00 0.00 0.00 175.76 172.69 2dan s VAL 11 N 7.96 3.12 0.07 0.00 0.11 -1.26 -5.10 120.40 125.30 2dan s VAL 11 Ca 0.61 -1.17 0.02 0.00 -2.93 0.00 0.00 61.98 58.52 2dan s VAL 11 Cb -0.12 -2.70 -0.04 0.00 -1.53 0.00 0.00 36.38 31.98 2dan s VAL 11 CO 0.21 0.01 0.09 0.00 -3.33 0.00 0.00 175.10 172.08 2dan s ALA 12 N 1.32 3.60 1.12 1.54 0.00 -1.26 -5.12 121.76 122.96 2dan s ALA 12 Ca -0.02 -0.98 -0.16 0.00 0.00 0.00 0.00 51.96 50.79 2dan s ALA 12 Cb -0.18 -1.48 0.25 0.00 0.00 0.00 0.00 23.12 21.70 2dan s ALA 12 CO -0.01 0.75 1.10 -1.25 0.00 0.00 0.00 175.76 176.35 2dan s PRO 13 N -2.32 -0.56 0.16 0.00 0.04 -1.26 -5.07 135.00 125.99 2dan s PRO 13 Ca 0.29 0.17 0.09 0.00 0.04 0.00 0.00 61.00 61.59 2dan s PRO 13 Cb -0.12 -1.65 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 2dan s PRO 13 CO 0.22 -3.32 -0.15 -2.00 0.04 0.00 0.00 177.00 171.78 2dan s GLU 14 N -5.22 1.85 -0.10 4.56 2.12 -1.26 -5.14 118.70 115.51 2dan s GLU 14 Ca 0.69 -1.30 -0.27 0.00 0.36 0.00 0.00 54.97 54.45 2dan s GLU 14 Cb -0.14 -2.07 0.06 0.00 0.26 0.00 0.00 34.13 32.24 2dan s GLU 14 CO 0.57 0.44 0.64 -0.98 -0.54 0.00 0.00 175.26 175.39 2dan s ARG 15 N -2.58 0.94 0.00 4.30 1.04 -1.26 -5.16 118.95 116.23 2dan s ARG 15 Ca 0.22 0.40 0.00 0.00 -1.04 0.00 0.00 55.73 55.31 2dan s ARG 15 Cb -0.09 0.44 0.00 0.00 -2.04 0.00 0.00 34.95 33.26 2dan s ARG 15 CO 0.12 -0.25 0.00 -0.35 -0.04 0.00 0.00 175.30 174.79 2dan n PRO 16 N 1.47 0.24 -3.77 3.89 -0.04 -1.26 -4.89 135.00 130.64 2dan n PRO 16 Ca -0.18 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.16 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 -1.12 0.33 0.96 0.54 6.06 -1.26 -3.21 118.95 121.24 2dan s ARG 17 Ca 0.00 0.42 -0.11 0.00 -2.50 0.00 0.00 55.73 53.54 2dan s ARG 17 Cb 0.00 0.14 0.15 0.00 0.06 0.00 0.00 34.95 35.30 2dan s ARG 17 CO 0.00 -0.05 1.01 0.00 -2.50 0.00 0.00 175.30 173.76 2dan n ALA 19 N -4.28 2.40 0.00 0.00 0.00 -0.99 -3.11 120.51 114.53 2dan n ALA 19 Ca 0.10 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.70 2dan n ALA 19 Cb 0.53 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 1.00 0.00 0.27 0.00 4.19 -1.26 -4.81 117.16 116.55 2dan n TYR 20 Ca 0.13 0.00 0.03 0.00 3.31 0.00 0.00 57.90 61.37 2dan n TYR 20 Cb 0.46 0.01 -0.03 0.00 0.49 0.00 0.00 39.34 40.27 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 -6.06 -4.94 0.00 3.41 -1.18 -4.92 113.62 98.98 2dan n SER 22 Ca 0.01 -0.34 -0.21 0.00 -0.26 0.00 0.00 58.87 58.07 2dan n SER 22 Cb 0.10 -4.82 -0.02 0.00 -0.26 0.00 0.00 64.21 59.21 2dan n SER 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dan s ALA 23 N -3.20 3.87 -0.42 7.33 0.00 -1.26 -4.46 121.76 123.61 2dan s ALA 23 Ca 0.37 -1.29 -0.38 0.00 0.00 0.00 0.00 51.96 50.66 2dan s ALA 23 Cb -0.16 -1.63 -0.14 0.00 0.00 0.00 0.00 23.12 21.19 2dan s ALA 23 CO 0.45 0.23 2.19 0.39 0.00 0.00 0.00 175.76 179.02 2dan n GLU 24 N -1.37 0.69 -3.23 0.00 1.02 -1.26 0.35 120.64 116.84 2dan n GLU 24 Ca -0.08 0.18 -0.29 0.00 -0.02 0.00 0.00 57.16 56.95 2dan n GLU 24 Cb 0.57 -2.14 -0.03 0.00 -0.02 0.00 0.00 31.44 29.82 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 7.02 3.54 0.00 0.62 0.00 -1.20 -4.48 121.76 127.27 2dan s ALA 25 Ca 1.14 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2dan s ALA 25 Cb -1.07 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2dan s ALA 25 CO 0.54 0.22 0.00 0.43 0.00 0.00 0.00 175.76 176.95 2dan n SER 26 N -0.90 3.09 -4.44 0.00 7.64 -1.26 -4.06 113.62 113.69 2dan n SER 26 Ca -0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.56 2dan n SER 26 Cb 0.54 0.17 -0.13 0.00 -1.01 0.00 0.00 64.21 63.77 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 2.22 0.44 1.43 -0.14 -1.26 -5.05 119.74 115.70 2dan s LYS 27 Ca 0.00 -0.88 0.05 0.00 -1.36 0.00 0.00 55.97 53.79 2dan s LYS 27 Cb 0.00 -2.23 0.01 0.00 -1.68 0.00 0.00 37.83 33.93 2dan s LYS 27 CO 0.00 0.57 0.61 1.03 -0.76 0.00 0.00 175.35 176.80 2dan s ARG 28 N -1.06 2.84 -0.19 1.68 0.52 -1.26 -2.47 118.95 119.01 2dan s ARG 28 Ca 0.13 -1.01 -0.32 0.00 -0.52 0.00 0.00 55.73 54.01 2dan s ARG 28 Cb -0.10 -2.69 -0.09 0.00 0.52 0.00 0.00 34.95 32.59 2dan s ARG 28 CO 0.03 -0.31 2.08 0.00 0.02 0.00 0.00 175.30 177.12 2dan n SER 30 N 9.22 0.00 -0.06 0.00 2.88 -1.26 0.25 113.62 124.65 2dan n SER 30 Ca 0.30 -0.32 -0.22 0.00 -1.33 0.00 0.00 58.87 57.30 2dan n SER 30 Cb 0.34 -0.07 -0.13 0.00 -0.75 0.00 0.00 64.21 63.60 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 -1.07 0.65 0.00 -1.46 1.74 -1.26 -4.75 116.66 110.51 2dan n ARG 31 Ca 0.10 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 2dan n ARG 31 Cb 0.06 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 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 -1.23 -1.71 0.00 0.00 3.00 0.69 -4.89 117.38 113.24 2dan n GLN 33 Ca 0.00 0.61 0.04 0.00 -0.01 0.00 0.00 57.00 57.63 2dan n GLN 33 Cb 0.19 -4.81 0.01 0.00 0.00 0.00 0.00 30.24 25.64 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 -0.62 1.30 -4.48 1.08 5.03 -1.26 -4.79 115.26 111.52 2dan n ASN 34 Ca -0.13 -1.15 -0.23 0.00 0.87 0.00 0.00 54.58 53.95 2dan n ASN 34 Cb 0.60 0.24 -0.11 0.00 -1.02 0.00 0.00 39.78 39.50 2dan n ASN 34 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2dan s GLU 35 N -0.87 1.70 0.11 3.52 2.56 -1.26 -5.00 118.70 119.46 2dan s GLU 35 Ca 0.07 -1.94 0.08 0.00 0.00 0.00 0.00 54.97 53.18 2dan s GLU 35 Cb 0.06 -1.02 -0.04 0.00 2.00 0.00 0.00 34.13 35.13 2dan s GLU 35 CO 0.14 -0.15 -0.21 -1.58 -0.56 0.00 0.00 175.26 172.89 2dan s TRP 36 N -3.18 1.83 -0.25 5.30 0.52 -1.26 -2.00 118.94 119.91 2dan s TRP 36 Ca 0.36 -0.42 -0.10 0.00 0.02 0.00 0.00 56.10 55.97 2dan s TRP 36 Cb 0.09 -1.00 0.10 0.00 -1.15 0.00 0.00 33.47 31.51 2dan s TRP 36 CO 0.16 0.22 0.55 0.71 0.02 0.00 0.00 176.95 178.61 2dan s TYR 37 N -1.17 -1.03 0.41 -1.98 2.02 -1.03 -2.35 117.35 112.22 2dan s TYR 37 Ca 0.07 1.91 0.09 0.00 -0.37 0.00 0.00 57.07 58.77 2dan s TYR 37 Cb -0.10 0.55 0.89 0.00 -0.40 0.00 0.00 41.96 42.90 2dan s TYR 37 CO 0.04 -0.55 2.04 0.00 -1.57 0.00 0.00 175.55 175.51 2dan h ARG 40 N 2.54 0.19 -0.53 0.00 9.65 -1.99 -3.12 114.38 121.11 2dan h ARG 40 Ca -0.34 -0.10 0.10 0.00 -1.10 0.00 0.00 59.98 58.54 2dan h ARG 40 Cb 1.25 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 29.72 2dan h ARG 40 CO 0.50 0.63 -0.28 1.49 2.80 0.00 0.00 179.97 185.11 2dan h GLU 41 N -0.25 -0.15 -0.39 0.20 4.81 -1.99 -0.73 114.58 116.09 2dan h GLU 41 Ca 0.01 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.33 2dan h GLU 41 Cb 0.60 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.93 2dan h GLU 41 CO 0.02 -0.10 -0.11 0.00 -0.73 0.00 0.00 179.01 178.09 2dan n GLN 43 N -5.31 0.05 -0.09 0.00 7.27 -0.33 -0.97 117.38 117.99 2dan n GLN 43 Ca 0.02 0.52 -0.09 0.00 0.07 0.00 0.00 57.00 57.52 2dan n GLN 43 Cb 0.22 -1.69 -0.14 0.00 2.41 0.00 0.00 30.24 31.04 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 -1.73 1.24 -0.03 1.69 0.31 0.15 -3.80 118.33 116.17 2dan n VAL 44 Ca -0.00 -0.75 -0.14 0.00 -0.01 0.00 0.00 64.34 63.44 2dan n VAL 44 Cb 0.05 -0.58 -0.10 0.00 -0.91 0.00 0.00 33.84 32.30 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 0.11 0.00 5.55 1.57 0.98 -3.12 116.57 121.67 2dan h LYS 45 Ca -0.49 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 2dan h LYS 45 Cb 2.09 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.41 2dan h LYS 45 CO 0.02 0.68 0.00 1.58 -0.57 0.00 0.00 179.45 181.16 2dan n HIS 46 N -4.70 0.00 -0.28 -1.35 -0.00 -0.62 -4.00 115.22 104.27 2dan n HIS 46 Ca -0.08 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 57.99 2dan n HIS 46 Cb 0.35 -0.49 -0.09 0.00 -0.12 0.00 0.00 29.99 29.65 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 -1.60 -1.56 1.57 2.91 -1.64 0.80 115.95 116.43 2dan h TRP 47 Ca 0.00 0.10 0.46 0.00 1.13 0.00 0.00 58.89 60.58 2dan h TRP 47 Cb 0.40 0.79 -0.07 0.00 -0.51 0.00 0.00 29.16 29.77 2dan h TRP 47 CO 0.00 -0.36 1.11 -1.91 -1.03 0.00 0.00 178.44 176.26 2dan n GLU 48 N -4.98 -0.00 -0.10 2.65 2.13 -1.26 0.15 120.64 119.23 2dan n GLU 48 Ca 0.00 0.88 -0.18 0.00 0.66 0.00 0.00 57.16 58.52 2dan n GLU 48 Cb 0.25 -2.01 -0.13 0.00 0.27 0.00 0.00 31.44 29.83 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 0.67 0.24 5.31 5.02 0.23 -4.54 118.16 121.48 2dan n LYS 49 Ca 0.36 0.16 -0.14 0.00 -2.02 0.00 0.00 58.31 56.67 2dan n LYS 49 Cb 1.60 -1.55 -0.07 0.00 -0.02 0.00 0.00 35.03 34.98 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 -0.58 -1.02 2.13 2.76 0.58 -3.09 115.15 115.95 2dan h HIS 50 Ca -0.55 -0.01 0.33 0.00 -2.20 0.00 0.00 60.37 57.94 2dan h HIS 50 Cb 1.94 0.19 -0.08 0.00 1.55 0.00 0.00 27.41 31.01 2dan h HIS 50 CO 0.04 -0.26 0.68 0.41 -1.30 0.00 0.00 177.93 177.50 2dan n GLY 51 N -0.42 -0.58 0.35 5.26 0.00 0.20 0.47 105.19 110.47 2dan n GLY 51 Ca -0.10 0.49 -0.08 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.27 0.00 1.61 1.57 -1.74 -2.39 116.57 115.36 2dan h LYS 52 Ca 0.59 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 2dan h LYS 52 Cb 2.04 0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.41 2dan h LYS 52 CO -0.23 -0.18 -1.18 0.25 -0.57 0.00 0.00 179.45 177.55 2dan n THR 53 N -5.42 0.08 -0.81 -0.16 -2.24 0.18 -4.98 114.28 100.93 2dan n THR 53 Ca 0.01 -0.21 -0.35 0.00 -2.27 0.00 0.00 64.05 61.23 2dan n THR 53 Cb 0.34 0.42 0.12 0.00 -2.10 0.00 0.00 70.33 69.11 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 0.23 -5.29 0.00 0.00 7.64 -1.26 -4.96 113.62 109.97 2dan n SER 55 Ca 0.00 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 59.17 2dan n SER 55 Cb 0.64 -4.22 0.00 0.00 -1.01 0.00 0.00 64.21 59.63 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 -1.79 -3.41 3.58 0.23 0.00 -1.20 -4.58 105.19 98.02 2dan n GLY 56 Ca 0.03 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 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 2.51 -0.30 1.61 0.04 -1.26 -4.66 135.00 132.94 2dan s PRO 57 Ca 0.00 -1.05 0.12 0.00 0.04 0.00 0.00 61.00 60.11 2dan s PRO 57 Cb 0.00 -5.22 0.47 0.00 0.04 0.00 0.00 34.50 29.79 2dan s PRO 57 CO 0.00 -3.90 1.14 0.43 0.04 0.00 0.00 177.00 174.72 2dan n SER 58 N 14.31 3.68 -3.99 6.66 7.64 -1.26 -4.95 113.62 135.71 2dan n SER 58 Ca 0.44 -3.16 -0.31 0.00 1.01 0.00 0.00 58.87 56.85 2dan n SER 58 Cb 0.47 -0.41 0.01 0.00 -1.01 0.00 0.00 64.21 63.27 2dan n SER 58 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dan n SER 59 N -0.61 -3.88 -0.35 6.43 3.41 -1.26 -5.18 113.62 112.17 2dan n SER 59 Ca 0.30 -0.86 0.04 0.00 -0.26 0.00 0.00 58.87 58.10 2dan n SER 59 Cb 0.88 -3.54 0.04 0.00 -0.26 0.00 0.00 64.21 61.33 2dan n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49