#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 -1.32 -4.91 1.61 7.64 -1.26 -4.89 113.62 110.49 2dan n SER 2 Ca 0.00 -1.25 -0.27 0.00 1.01 0.00 0.00 58.87 58.36 2dan n SER 2 Cb 0.00 -1.65 -0.00 0.00 -1.01 0.00 0.00 64.21 61.55 2dan n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dan s SER 3 N -3.48 6.25 0.00 6.43 1.04 -1.26 -5.02 113.70 117.67 2dan s SER 3 Ca 0.67 0.92 0.00 0.00 0.48 0.00 0.00 55.95 58.02 2dan s SER 3 Cb -0.39 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.49 2dan s SER 3 CO 1.02 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 175.27 2dan n GLY 4 N -2.26 -0.39 2.16 7.32 0.00 -1.26 -5.02 105.19 105.74 2dan n GLY 4 Ca 0.01 0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 2dan n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dan n SER 5 N 0.00 7.15 -3.62 1.61 7.64 -1.26 -4.83 113.62 120.31 2dan n SER 5 Ca 0.00 -3.47 -0.04 0.00 1.01 0.00 0.00 58.87 56.37 2dan n SER 5 Cb 0.00 -1.02 -0.06 0.00 -1.01 0.00 0.00 64.21 62.12 2dan n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dan s SER 6 N -0.90 -0.87 0.10 6.43 0.15 -1.26 -5.18 113.70 112.19 2dan s SER 6 Ca 0.50 1.32 0.02 0.00 0.70 0.00 0.00 55.95 58.49 2dan s SER 6 Cb 0.39 1.57 -0.04 0.00 -1.71 0.00 0.00 66.02 66.22 2dan s SER 6 CO -0.02 -0.20 -0.08 -0.83 1.20 0.00 0.00 173.24 173.31 2dan s GLY 7 N 1.91 0.82 -0.82 9.45 0.00 -1.26 -5.05 107.32 112.36 2dan s GLY 7 Ca -0.08 -1.34 -0.22 0.00 0.00 0.00 0.00 44.72 43.08 2dan s GLY 7 CO -0.18 -1.44 2.38 1.04 0.00 0.00 0.00 173.10 174.90 2dan n LEU 8 N 0.04 0.80 -3.92 0.66 4.32 -1.26 -4.82 117.00 112.82 2dan n LEU 8 Ca -0.13 -0.83 -0.29 0.00 -0.02 0.00 0.00 56.01 54.75 2dan n LEU 8 Cb 0.60 -1.24 -0.12 0.00 -1.62 0.00 0.00 43.42 41.04 2dan n LEU 8 CO 0.30 -1.86 -0.02 -0.70 -1.22 0.00 0.00 177.39 173.89 2dan s GLU 9 N 8.29 2.49 -0.36 3.23 2.12 -1.26 -5.04 118.70 128.18 2dan s GLU 9 Ca 1.10 -3.31 -0.02 0.00 0.36 0.00 0.00 54.97 53.11 2dan s GLU 9 Cb -0.49 -3.46 0.08 0.00 0.26 0.00 0.00 34.13 30.53 2dan s GLU 9 CO 0.30 -1.27 0.10 0.00 -0.54 0.00 0.00 175.26 173.85 2dan s ALA 10 N -1.39 2.99 -0.30 6.30 0.00 -1.26 -5.08 121.76 123.03 2dan s ALA 10 Ca 0.25 -2.22 -0.10 0.00 0.00 0.00 0.00 51.96 49.89 2dan s ALA 10 Cb -0.06 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 2dan s ALA 10 CO -0.15 -1.57 0.17 0.54 0.00 0.00 0.00 175.76 174.74 2dan s VAL 11 N 1.16 4.88 0.13 0.00 0.11 -1.26 -5.08 120.40 120.35 2dan s VAL 11 Ca 0.03 -0.17 0.11 0.00 -2.93 0.00 0.00 61.98 59.02 2dan s VAL 11 Cb -0.21 -3.41 -0.04 0.00 -1.53 0.00 0.00 36.38 31.19 2dan s VAL 11 CO -0.03 0.15 -0.25 0.00 -3.33 0.00 0.00 175.10 171.64 2dan s ALA 12 N 1.68 2.46 1.00 1.54 0.00 -1.26 -5.15 121.76 122.03 2dan s ALA 12 Ca 0.06 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.56 2dan s ALA 12 Cb -0.16 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.52 2dan s ALA 12 CO 0.08 0.54 0.00 -0.35 0.00 0.00 0.00 175.76 176.03 2dan n PRO 13 N 0.84 -0.10 -3.81 0.00 -0.04 -1.26 -5.10 135.00 125.53 2dan n PRO 13 Ca -0.17 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.17 2dan n PRO 13 Cb 0.53 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.91 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 -1.63 0.68 -0.08 0.54 1.03 -1.26 -5.17 118.70 112.82 2dan s GLU 14 Ca 0.00 -0.46 -0.20 0.00 0.03 0.00 0.00 54.97 54.34 2dan s GLU 14 Cb 0.00 0.29 0.04 0.00 -0.80 0.00 0.00 34.13 33.67 2dan s GLU 14 CO 0.00 -0.20 0.47 -0.98 -1.33 0.00 0.00 175.26 173.22 2dan s ARG 15 N -2.09 0.75 0.00 -4.83 1.70 -1.26 -5.18 118.95 108.05 2dan s ARG 15 Ca -0.09 0.20 0.00 0.00 -0.47 0.00 0.00 55.73 55.37 2dan s ARG 15 Cb -0.03 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 2dan s ARG 15 CO -0.01 -0.19 0.00 -0.35 -1.08 0.00 0.00 175.30 173.67 2dan n PRO 16 N 1.64 0.30 -3.71 3.89 -0.04 -1.26 -4.93 135.00 130.88 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 0.56 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 0.52 1.01 0.54 6.06 -1.26 -3.58 118.95 121.20 2dan s ARG 17 Ca 0.00 0.68 -0.14 0.00 -2.50 0.00 0.00 55.73 53.77 2dan s ARG 17 Cb 0.00 0.21 0.10 0.00 0.06 0.00 0.00 34.95 35.33 2dan s ARG 17 CO 0.00 -0.08 0.54 0.00 -2.50 0.00 0.00 175.30 173.25 2dan n ALA 19 N -4.09 2.32 0.00 0.00 0.00 -0.95 -3.32 120.51 114.47 2dan n ALA 19 Ca 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.54 2dan n ALA 19 Cb 0.55 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 0.77 0.00 0.21 0.00 4.19 -1.26 -4.81 117.16 116.26 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 -0.03 0.00 0.49 0.00 0.00 39.34 40.24 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 -1.10 -5.97 -4.82 0.00 7.64 -1.21 -4.93 113.62 103.23 2dan n SER 22 Ca 0.01 -0.44 -0.24 0.00 1.01 0.00 0.00 58.87 59.21 2dan n SER 22 Cb 0.07 -4.64 -0.05 0.00 -1.01 0.00 0.00 64.21 58.59 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 -3.26 3.59 -0.47 -0.43 0.00 -1.26 -4.51 121.76 115.42 2dan s ALA 23 Ca 0.48 -1.31 -0.41 0.00 0.00 0.00 0.00 51.96 50.71 2dan s ALA 23 Cb -0.21 -1.34 -0.17 0.00 0.00 0.00 0.00 23.12 21.39 2dan s ALA 23 CO 0.59 0.38 2.17 0.39 0.00 0.00 0.00 175.76 179.28 2dan n GLU 24 N -0.78 0.28 -3.18 0.00 1.02 -1.26 0.21 120.64 116.93 2dan n GLU 24 Ca -0.08 0.07 -0.29 0.00 -0.02 0.00 0.00 57.16 56.84 2dan n GLU 24 Cb 0.56 -1.75 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 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 6.43 3.52 0.00 0.62 0.00 -1.23 -4.46 121.76 126.63 2dan s ALA 25 Ca 1.18 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.73 2dan s ALA 25 Cb -1.33 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 19.34 2dan s ALA 25 CO 0.61 0.18 0.00 0.43 0.00 0.00 0.00 175.76 176.98 2dan n SER 26 N -1.00 3.05 -4.39 0.00 7.64 -1.25 -4.34 113.62 113.33 2dan n SER 26 Ca -0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 2dan n SER 26 Cb 0.54 0.19 -0.15 0.00 -1.01 0.00 0.00 64.21 63.78 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 2.29 0.39 1.43 -0.14 -1.25 -5.04 119.74 115.76 2dan s LYS 27 Ca 0.00 -0.82 0.05 0.00 -1.36 0.00 0.00 55.97 53.84 2dan s LYS 27 Cb 0.00 -2.20 0.00 0.00 -1.68 0.00 0.00 37.83 33.95 2dan s LYS 27 CO 0.00 0.59 0.56 1.03 -0.76 0.00 0.00 175.35 176.76 2dan s ARG 28 N -0.67 2.98 -0.18 1.68 0.52 -1.26 -2.24 118.95 119.79 2dan s ARG 28 Ca 0.11 -0.97 -0.33 0.00 -0.52 0.00 0.00 55.73 54.02 2dan s ARG 28 Cb -0.10 -2.73 -0.10 0.00 0.52 0.00 0.00 34.95 32.53 2dan s ARG 28 CO -0.00 -0.15 2.04 0.00 0.02 0.00 0.00 175.30 177.21 2dan n SER 30 N 8.57 0.00 -0.07 0.00 2.88 -1.26 0.26 113.62 123.99 2dan n SER 30 Ca 0.29 -0.36 -0.22 0.00 -1.33 0.00 0.00 58.87 57.24 2dan n SER 30 Cb 0.32 -0.08 -0.12 0.00 -0.75 0.00 0.00 64.21 63.58 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 -1.08 0.62 0.00 -1.46 1.74 -1.26 -4.74 116.66 110.49 2dan n ARG 31 Ca 0.11 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 2dan n ARG 31 Cb 0.07 -1.73 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 -1.21 -1.36 0.00 0.00 3.00 0.71 -4.78 117.38 113.74 2dan n GLN 33 Ca 0.00 0.86 0.05 0.00 -0.01 0.00 0.00 57.00 57.90 2dan n GLN 33 Cb 0.10 -5.30 0.04 0.00 0.00 0.00 0.00 30.24 25.08 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 -1.25 1.75 -4.42 1.08 3.02 -1.26 -4.79 115.26 109.39 2dan n ASN 34 Ca -0.20 -1.38 -0.21 0.00 -0.03 0.00 0.00 54.58 52.76 2dan n ASN 34 Cb 0.65 0.09 -0.10 0.00 -0.61 0.00 0.00 39.78 39.81 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 -0.98 1.56 0.12 3.52 2.56 -1.26 -5.00 118.70 119.22 2dan s GLU 35 Ca 0.12 -1.83 0.09 0.00 0.00 0.00 0.00 54.97 53.35 2dan s GLU 35 Cb 0.09 -0.95 -0.04 0.00 2.00 0.00 0.00 34.13 35.23 2dan s GLU 35 CO 0.16 -0.08 -0.22 -1.58 -0.56 0.00 0.00 175.26 172.98 2dan s TRP 36 N -3.20 1.91 -0.25 5.30 0.52 -1.26 -1.87 118.94 120.09 2dan s TRP 36 Ca 0.32 -0.42 -0.11 0.00 0.02 0.00 0.00 56.10 55.92 2dan s TRP 36 Cb 0.06 -1.03 0.09 0.00 -1.15 0.00 0.00 33.47 31.45 2dan s TRP 36 CO 0.13 0.26 0.56 0.71 0.02 0.00 0.00 176.95 178.63 2dan s TYR 37 N -1.27 -1.01 0.28 -1.98 2.02 -0.95 -2.24 117.35 112.20 2dan s TYR 37 Ca 0.09 1.90 -0.04 0.00 -0.37 0.00 0.00 57.07 58.66 2dan s TYR 37 Cb -0.09 0.55 0.37 0.00 -0.40 0.00 0.00 41.96 42.38 2dan s TYR 37 CO 0.05 -0.53 1.95 0.00 -1.57 0.00 0.00 175.55 175.45 2dan h ARG 40 N 2.86 0.39 -0.47 0.00 9.65 -1.98 -2.97 114.38 121.86 2dan h ARG 40 Ca -0.36 -0.05 0.09 0.00 -1.10 0.00 0.00 59.98 58.56 2dan h ARG 40 Cb 1.18 -0.07 -0.10 0.00 -1.39 0.00 0.00 29.97 29.59 2dan h ARG 40 CO 0.63 0.36 -0.34 1.49 2.80 0.00 0.00 179.97 184.91 2dan h GLU 41 N 0.33 -0.22 -0.31 0.20 4.81 -1.99 -1.24 114.58 116.16 2dan h GLU 41 Ca 0.10 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.41 2dan h GLU 41 Cb 0.09 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.44 2dan h GLU 41 CO -0.01 -0.15 -0.23 0.00 -0.73 0.00 0.00 179.01 177.89 2dan n GLN 43 N -5.38 0.10 -0.09 0.00 7.27 -0.52 -0.80 117.38 117.97 2dan n GLN 43 Ca 0.00 0.58 -0.16 0.00 0.07 0.00 0.00 57.00 57.49 2dan n GLN 43 Cb 0.29 -2.00 -0.13 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 -2.08 1.54 -0.02 1.69 0.31 0.16 -3.63 118.33 116.30 2dan n VAL 44 Ca -0.01 -0.68 -0.13 0.00 -0.01 0.00 0.00 64.34 63.52 2dan n VAL 44 Cb 0.19 -1.22 -0.08 0.00 -0.91 0.00 0.00 33.84 31.81 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 0.01 0.09 0.00 5.55 1.57 0.12 -2.84 116.57 121.08 2dan h LYS 45 Ca -0.52 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2dan h LYS 45 Cb 2.02 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.32 2dan h LYS 45 CO -0.01 0.46 0.00 1.58 -0.57 0.00 0.00 179.45 180.90 2dan n HIS 46 N -4.83 0.00 -0.28 -1.35 -0.00 -0.48 -3.93 115.22 104.35 2dan n HIS 46 Ca -0.07 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.01 2dan n HIS 46 Cb 0.23 -0.46 -0.08 0.00 -0.12 0.00 0.00 29.99 29.55 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 -1.53 -1.50 1.57 2.91 -1.56 0.84 115.95 116.67 2dan h TRP 47 Ca 0.00 0.10 0.46 0.00 1.13 0.00 0.00 58.89 60.57 2dan h TRP 47 Cb 0.33 0.76 -0.08 0.00 -0.51 0.00 0.00 29.16 29.65 2dan h TRP 47 CO 0.00 -0.33 1.05 -1.91 -1.03 0.00 0.00 178.44 176.22 2dan n GLU 48 N -4.88 -0.01 -0.07 2.65 2.13 -1.25 0.20 120.64 119.40 2dan n GLU 48 Ca 0.00 0.95 -0.15 0.00 0.66 0.00 0.00 57.16 58.62 2dan n GLU 48 Cb 0.23 -2.08 -0.14 0.00 0.27 0.00 0.00 31.44 29.73 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 -3.84 0.68 0.21 5.31 5.02 0.24 -4.44 118.16 121.35 2dan n LYS 49 Ca 0.36 0.16 -0.10 0.00 -2.02 0.00 0.00 58.31 56.71 2dan n LYS 49 Cb 1.57 -1.61 -0.05 0.00 -0.02 0.00 0.00 35.03 34.92 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 0.02 -0.55 -1.28 2.13 2.76 0.69 -3.21 115.15 115.70 2dan h HIS 50 Ca -0.49 -0.01 0.40 0.00 -2.20 0.00 0.00 60.37 58.07 2dan h HIS 50 Cb 2.04 0.18 -0.08 0.00 1.55 0.00 0.00 27.41 31.10 2dan h HIS 50 CO 0.03 -0.32 0.89 0.41 -1.30 0.00 0.00 177.93 177.64 2dan n GLY 51 N 0.21 -0.69 0.24 5.26 0.00 0.20 0.73 105.19 111.14 2dan n GLY 51 Ca -0.08 0.54 -0.07 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.15 -0.00 1.61 1.57 -1.74 -2.78 116.57 115.08 2dan h LYS 52 Ca 0.68 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.47 2dan h LYS 52 Cb 2.52 0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.86 2dan h LYS 52 CO -0.15 -0.10 -0.75 0.25 -0.57 0.00 0.00 179.45 178.12 2dan n THR 53 N -5.35 0.00 -0.84 -0.16 -2.24 0.22 -5.01 114.28 100.89 2dan n THR 53 Ca 0.00 -0.13 -0.35 0.00 -2.27 0.00 0.00 64.05 61.31 2dan n THR 53 Cb 0.27 1.05 0.10 0.00 -2.10 0.00 0.00 70.33 69.64 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 0.68 -4.41 -4.61 0.00 2.88 -1.26 -4.92 113.62 101.98 2dan n SER 55 Ca 0.01 -0.01 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 2dan n SER 55 Cb 0.62 -3.56 -0.03 0.00 -0.75 0.00 0.00 64.21 60.49 2dan n SER 55 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dan s GLY 56 N -2.36 0.84 -1.15 0.46 0.00 -1.20 -4.88 107.32 99.02 2dan s GLY 56 Ca 0.00 0.51 -0.23 0.00 0.00 0.00 0.00 44.72 45.00 2dan s GLY 56 CO 0.00 3.37 1.94 2.56 0.00 0.00 0.00 173.10 180.97 2dan s PRO 57 N 5.58 2.50 -1.42 2.90 0.04 -1.26 -4.24 135.00 139.11 2dan s PRO 57 Ca 0.84 -1.07 -0.14 0.00 0.04 0.00 0.00 61.00 60.68 2dan s PRO 57 Cb -0.27 -5.22 0.14 0.00 0.04 0.00 0.00 34.50 29.19 2dan s PRO 57 CO 0.34 -3.91 0.35 -1.13 0.04 0.00 0.00 177.00 172.69 2dan n SER 58 N 14.33 -0.87 -0.02 6.66 3.41 -1.26 -4.72 113.62 131.16 2dan n SER 58 Ca 0.44 -0.99 -0.05 0.00 -0.26 0.00 0.00 58.87 58.01 2dan n SER 58 Cb 0.47 -1.26 -0.02 0.00 -0.26 0.00 0.00 64.21 63.14 2dan n SER 58 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dan n SER 59 N -1.89 0.47 0.00 4.04 2.88 -1.26 -5.26 113.62 112.60 2dan n SER 59 Ca 0.00 0.08 0.05 0.00 -1.33 0.00 0.00 58.87 57.67 2dan n SER 59 Cb 0.41 -0.18 0.31 0.00 -0.75 0.00 0.00 64.21 63.99 2dan n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42