#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 6.23 -0.17 1.61 0.15 -1.26 -4.88 113.70 115.39 2dan s SER 2 Ca 0.00 -0.55 -0.04 0.00 0.70 0.00 0.00 55.95 56.05 2dan s SER 2 Cb 0.00 -2.25 -0.09 0.00 -1.71 0.00 0.00 66.02 61.97 2dan s SER 2 CO 0.00 -0.63 -0.19 -0.24 1.20 0.00 0.00 173.24 173.38 2dan n SER 3 N 5.79 1.88 0.00 5.45 2.88 -1.26 -5.05 113.62 123.31 2dan n SER 3 Ca -0.06 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2dan n SER 3 Cb 0.48 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 2.28 1.92 3.66 0.46 0.00 -1.26 -4.83 105.19 107.42 2dan n GLY 4 Ca -0.31 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.00 -0.33 0.79 1.61 1.04 -1.26 -5.18 113.70 106.37 2dan s SER 5 Ca 0.00 -0.30 -0.10 0.00 0.48 0.00 0.00 55.95 56.04 2dan s SER 5 Cb 0.00 0.57 0.10 0.00 0.10 0.00 0.00 66.02 66.79 2dan s SER 5 CO 0.00 -1.01 1.13 -0.94 0.98 0.00 0.00 173.24 173.40 2dan s SER 6 N -2.81 4.36 -0.37 7.02 1.04 -1.26 -5.05 113.70 116.63 2dan s SER 6 Ca 0.08 0.47 0.11 0.00 0.48 0.00 0.00 55.95 57.09 2dan s SER 6 Cb -0.03 -0.93 0.40 0.00 0.10 0.00 0.00 66.02 65.56 2dan s SER 6 CO -0.02 -1.93 1.44 0.61 0.98 0.00 0.00 173.24 174.31 2dan n GLY 7 N -3.21 1.68 3.58 7.32 0.00 -1.26 -5.05 105.19 108.25 2dan n GLY 7 Ca 0.10 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 2dan n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dan s LEU 8 N -3.64 3.55 -0.40 0.99 1.02 -1.26 -4.87 118.68 114.08 2dan s LEU 8 Ca 0.16 -2.14 0.03 0.00 0.02 0.00 0.00 54.13 52.21 2dan s LEU 8 Cb 0.42 -2.58 0.11 0.00 0.02 0.00 0.00 46.19 44.16 2dan s LEU 8 CO -0.11 -1.84 0.14 -0.70 0.02 0.00 0.00 176.35 173.86 2dan s GLU 9 N 5.04 1.52 -0.35 1.70 2.56 -1.26 -5.05 118.70 122.86 2dan s GLU 9 Ca 0.59 -2.03 0.02 0.00 0.00 0.00 0.00 54.97 53.55 2dan s GLU 9 Cb 0.02 -3.00 0.11 0.00 2.00 0.00 0.00 34.13 33.25 2dan s GLU 9 CO 0.09 -1.02 0.10 0.00 -0.56 0.00 0.00 175.26 173.87 2dan s ALA 10 N 0.55 2.43 -0.37 6.30 0.00 -1.26 -5.07 121.76 124.34 2dan s ALA 10 Ca 0.13 -2.33 -0.02 0.00 0.00 0.00 0.00 51.96 49.75 2dan s ALA 10 Cb -0.22 -1.87 0.09 0.00 0.00 0.00 0.00 23.12 21.13 2dan s ALA 10 CO -0.07 -1.74 0.13 0.08 0.00 0.00 0.00 175.76 174.16 2dan s VAL 11 N 0.98 3.08 0.04 0.00 1.01 -1.26 -5.10 120.40 119.16 2dan s VAL 11 Ca 0.12 -1.90 -0.00 0.00 0.00 0.00 0.00 61.98 60.20 2dan s VAL 11 Cb -0.20 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2dan s VAL 11 CO -0.12 -0.51 0.17 0.00 0.00 0.00 0.00 175.10 174.64 2dan s ALA 12 N 1.14 3.88 1.00 5.51 0.00 -1.26 -5.12 121.76 126.92 2dan s ALA 12 Ca 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2dan s ALA 12 Cb -0.21 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.15 2dan s ALA 12 CO -0.04 0.79 0.00 -0.35 0.00 0.00 0.00 175.76 176.16 2dan n PRO 13 N 0.55 0.35 -4.29 0.00 -0.04 -1.26 -5.10 135.00 125.21 2dan n PRO 13 Ca -0.08 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.23 2dan n PRO 13 Cb 0.52 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.96 1.21 -0.11 0.54 -1.05 -1.26 -5.17 118.70 111.91 2dan s GLU 14 Ca 0.00 -1.58 -0.23 0.00 -0.15 0.00 0.00 54.97 53.01 2dan s GLU 14 Cb 0.00 -0.61 0.05 0.00 -0.44 0.00 0.00 34.13 33.13 2dan s GLU 14 CO 0.00 -0.02 0.56 -0.98 0.95 0.00 0.00 175.26 175.77 2dan s ARG 15 N -3.81 0.82 0.00 -4.83 3.03 -1.26 -5.17 118.95 107.73 2dan s ARG 15 Ca 0.23 0.38 0.00 0.00 2.03 0.00 0.00 55.73 58.37 2dan s ARG 15 Cb 0.04 0.39 0.00 0.00 -1.03 0.00 0.00 34.95 34.35 2dan s ARG 15 CO 0.05 -0.20 0.00 -0.35 -1.13 0.00 0.00 175.30 173.67 2dan n PRO 16 N 1.73 0.34 -3.77 3.89 -0.04 -1.26 -4.91 135.00 130.99 2dan n PRO 16 Ca -0.17 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 -0.97 0.37 1.04 0.54 6.06 -1.26 -3.52 118.95 121.21 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 0.18 0.21 0.00 0.06 0.00 0.00 34.95 35.40 2dan s ARG 17 CO 0.00 -0.05 1.08 0.00 -2.50 0.00 0.00 175.30 173.84 2dan n ALA 19 N -4.55 2.34 0.00 0.00 0.00 -0.98 -3.35 120.51 113.97 2dan n ALA 19 Ca 0.07 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.64 2dan n ALA 19 Cb 0.53 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 0.65 0.00 0.07 0.00 4.19 -1.26 -4.82 117.16 115.99 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 0.37 0.00 -0.01 0.00 0.49 0.00 0.00 39.34 40.19 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 -1.04 -2.29 -4.60 0.00 7.64 -1.21 -4.93 113.62 107.19 2dan n SER 22 Ca 0.00 -0.59 -0.25 0.00 1.01 0.00 0.00 58.87 59.04 2dan n SER 22 Cb 0.02 -4.96 -0.09 0.00 -1.01 0.00 0.00 64.21 58.17 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 -3.35 3.12 -0.49 -0.43 0.00 -1.26 -4.57 121.76 114.78 2dan s ALA 23 Ca 0.03 -1.95 -0.35 0.00 0.00 0.00 0.00 51.96 49.70 2dan s ALA 23 Cb -0.02 -0.34 -0.14 0.00 0.00 0.00 0.00 23.12 22.63 2dan s ALA 23 CO 0.70 0.10 2.30 0.39 0.00 0.00 0.00 175.76 179.25 2dan n GLU 24 N -0.89 0.75 -3.03 0.00 1.02 -1.26 0.36 120.64 117.58 2dan n GLU 24 Ca -0.05 0.17 -0.28 0.00 -0.02 0.00 0.00 57.16 56.98 2dan n GLU 24 Cb 0.62 -2.30 -0.02 0.00 -0.02 0.00 0.00 31.44 29.72 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 8.05 3.50 0.00 0.62 0.00 -1.23 -4.51 121.76 128.19 2dan s ALA 25 Ca 1.14 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2dan s ALA 25 Cb -0.92 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2dan s ALA 25 CO 0.48 -0.01 0.00 0.43 0.00 0.00 0.00 175.76 176.66 2dan n SER 26 N -1.49 2.98 -4.44 0.00 7.64 -1.25 -4.25 113.62 112.81 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 0.55 0.16 -0.13 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 -1.66 2.29 0.40 1.43 -0.14 -1.25 -5.04 119.74 115.76 2dan s LYS 27 Ca 0.00 -0.83 0.07 0.00 -1.36 0.00 0.00 55.97 53.84 2dan s LYS 27 Cb 0.00 -2.25 0.00 0.00 -1.68 0.00 0.00 37.83 33.90 2dan s LYS 27 CO 0.00 0.58 0.55 1.03 -0.76 0.00 0.00 175.35 176.75 2dan s ARG 28 N -0.96 2.94 -0.17 1.68 0.52 -1.26 -2.30 118.95 119.39 2dan s ARG 28 Ca 0.12 -1.09 -0.32 0.00 -0.52 0.00 0.00 55.73 53.93 2dan s ARG 28 Cb -0.10 -2.76 -0.09 0.00 0.52 0.00 0.00 34.95 32.52 2dan s ARG 28 CO 0.02 -0.17 2.07 0.00 0.02 0.00 0.00 175.30 177.24 2dan n SER 30 N 9.04 0.00 -0.08 0.00 2.88 -1.26 0.25 113.62 124.44 2dan n SER 30 Ca 0.29 -0.42 -0.23 0.00 -1.33 0.00 0.00 58.87 57.18 2dan n SER 30 Cb 0.34 -0.03 -0.12 0.00 -0.75 0.00 0.00 64.21 63.65 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 0.62 0.00 -1.46 1.74 -1.26 -4.75 116.66 110.52 2dan n ARG 31 Ca 0.11 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.65 2dan n ARG 31 Cb 0.06 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 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 -1.20 -1.62 -0.02 0.00 3.00 0.69 -4.70 117.38 113.53 2dan n GLN 33 Ca 0.00 0.83 0.04 0.00 -0.01 0.00 0.00 57.00 57.86 2dan n GLN 33 Cb 0.10 -5.29 0.05 0.00 0.00 0.00 0.00 30.24 25.10 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 -1.32 1.86 -4.40 1.08 3.02 -1.26 -4.80 115.26 109.44 2dan n ASN 34 Ca -0.19 -1.45 -0.20 0.00 -0.03 0.00 0.00 54.58 52.70 2dan n ASN 34 Cb 0.65 -0.03 -0.10 0.00 -0.61 0.00 0.00 39.78 39.69 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 -0.75 1.54 0.12 3.52 2.56 -1.26 -5.00 118.70 119.43 2dan s GLU 35 Ca 0.11 -1.84 0.08 0.00 0.00 0.00 0.00 54.97 53.33 2dan s GLU 35 Cb 0.07 -0.73 -0.04 0.00 2.00 0.00 0.00 34.13 35.44 2dan s GLU 35 CO 0.11 -0.18 -0.20 -1.58 -0.56 0.00 0.00 175.26 172.85 2dan s TRP 36 N -3.38 1.78 -0.23 5.30 0.52 -1.26 -2.08 118.94 119.59 2dan s TRP 36 Ca 0.35 -0.43 -0.10 0.00 0.02 0.00 0.00 56.10 55.93 2dan s TRP 36 Cb 0.08 -0.96 0.09 0.00 -1.15 0.00 0.00 33.47 31.53 2dan s TRP 36 CO 0.14 0.23 0.53 0.71 0.02 0.00 0.00 176.95 178.58 2dan s TYR 37 N -1.36 -0.93 0.27 -1.98 2.02 -0.97 -2.31 117.35 112.09 2dan s TYR 37 Ca 0.08 1.78 -0.03 0.00 -0.37 0.00 0.00 57.07 58.53 2dan s TYR 37 Cb -0.09 0.48 0.34 0.00 -0.40 0.00 0.00 41.96 42.30 2dan s TYR 37 CO 0.05 -0.49 1.86 0.00 -1.57 0.00 0.00 175.55 175.40 2dan h ARG 40 N 3.89 0.48 -0.46 0.00 9.65 -1.99 -2.37 114.38 123.58 2dan h ARG 40 Ca -0.34 -0.03 0.09 0.00 -1.10 0.00 0.00 59.98 58.60 2dan h ARG 40 Cb 1.18 -0.11 -0.10 0.00 -1.39 0.00 0.00 29.97 29.56 2dan h ARG 40 CO 0.51 0.32 -0.30 1.49 2.80 0.00 0.00 179.97 184.79 2dan h GLU 41 N 0.49 -0.19 -0.38 0.20 4.81 -1.99 -0.96 114.58 116.57 2dan h GLU 41 Ca 0.30 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.62 2dan h GLU 41 Cb 0.32 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.67 2dan h GLU 41 CO -0.26 -0.13 -0.08 0.00 -0.73 0.00 0.00 179.01 177.81 2dan n GLN 43 N -5.28 0.10 -0.11 0.00 7.27 -0.42 -1.17 117.38 117.76 2dan n GLN 43 Ca 0.02 0.58 -0.15 0.00 0.07 0.00 0.00 57.00 57.52 2dan n GLN 43 Cb 0.21 -1.90 -0.14 0.00 2.41 0.00 0.00 30.24 30.82 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 -2.02 1.45 -0.02 1.69 0.31 0.12 -3.74 118.33 116.11 2dan n VAL 44 Ca -0.01 -0.70 -0.13 0.00 -0.01 0.00 0.00 64.34 63.50 2dan n VAL 44 Cb 0.11 -1.01 -0.09 0.00 -0.91 0.00 0.00 33.84 31.94 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 0.09 0.00 5.55 1.57 0.67 -2.91 116.57 121.53 2dan h LYS 45 Ca -0.56 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 2dan h LYS 45 Cb 2.05 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.36 2dan h LYS 45 CO -0.04 0.48 0.00 1.58 -0.57 0.00 0.00 179.45 180.91 2dan n HIS 46 N -4.82 0.19 -0.26 -1.35 -0.00 -0.46 -3.93 115.22 104.59 2dan n HIS 46 Ca -0.08 0.07 -0.09 0.00 0.46 0.00 0.00 57.72 58.09 2dan n HIS 46 Cb 0.24 -0.61 -0.07 0.00 -0.12 0.00 0.00 29.99 29.43 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 -1.36 -1.57 1.57 2.91 -1.60 0.90 115.95 116.80 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 0.38 0.68 -0.07 0.00 -0.51 0.00 0.00 29.16 29.64 2dan h TRP 47 CO 0.00 -0.29 1.13 -1.91 -1.03 0.00 0.00 178.44 176.33 2dan n GLU 48 N -4.65 -0.00 -0.09 2.65 2.13 -1.25 0.23 120.64 119.65 2dan n GLU 48 Ca 0.01 0.89 -0.13 0.00 0.66 0.00 0.00 57.16 58.59 2dan n GLU 48 Cb 0.20 -2.04 -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 -3.63 0.68 0.22 5.31 5.02 0.26 -4.50 118.16 121.51 2dan n LYS 49 Ca 0.36 0.09 -0.10 0.00 -2.02 0.00 0.00 58.31 56.65 2dan n LYS 49 Cb 1.62 -1.56 -0.05 0.00 -0.02 0.00 0.00 35.03 35.02 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 -0.59 -1.11 2.13 2.76 0.79 -3.21 115.15 115.93 2dan h HIS 50 Ca -0.52 -0.01 0.35 0.00 -2.20 0.00 0.00 60.37 57.99 2dan h HIS 50 Cb 2.10 0.19 -0.08 0.00 1.55 0.00 0.00 27.41 31.17 2dan h HIS 50 CO 0.02 -0.36 0.75 0.41 -1.30 0.00 0.00 177.93 177.44 2dan n GLY 51 N 0.18 -0.61 0.20 5.26 0.00 0.14 0.10 105.19 110.46 2dan n GLY 51 Ca -0.08 0.50 -0.02 0.00 0.00 0.00 0.00 46.02 46.42 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 0.03 0.00 1.61 1.57 -1.75 -2.58 116.57 115.46 2dan h LYS 52 Ca 0.62 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 2dan h LYS 52 Cb 2.20 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.50 2dan h LYS 52 CO -0.19 0.02 -1.38 0.25 -0.57 0.00 0.00 179.45 177.58 2dan n THR 53 N -5.33 0.00 -0.78 -0.16 -2.24 0.29 -5.00 114.28 101.06 2dan n THR 53 Ca 0.05 -0.24 -0.34 0.00 -2.27 0.00 0.00 64.05 61.25 2dan n THR 53 Cb 0.28 0.55 0.13 0.00 -2.10 0.00 0.00 70.33 69.19 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 -0.02 -5.02 0.00 0.00 7.64 -1.26 -4.96 113.62 110.00 2dan n SER 55 Ca -0.00 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.29 2dan n SER 55 Cb 0.67 -4.03 0.00 0.00 -1.01 0.00 0.00 64.21 59.84 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 -1.59 -3.17 0.12 0.23 0.00 -1.20 -4.44 105.19 95.14 2dan n GLY 56 Ca 0.00 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.67 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 0.17 -0.18 1.61 -0.04 -1.26 -3.36 135.00 131.94 2dan n PRO 57 Ca 0.00 0.41 -0.00 0.00 -0.04 0.00 0.00 63.50 63.86 2dan n PRO 57 Cb 0.00 -1.83 0.09 0.00 -0.04 0.00 0.00 33.50 31.72 2dan n PRO 57 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2dan h SER 58 N 0.00 -0.13 -5.41 3.54 4.64 -1.84 -3.46 113.55 110.89 2dan h SER 58 Ca 0.00 0.12 0.26 0.00 -0.47 0.00 0.00 61.79 61.71 2dan h SER 58 Cb 0.34 0.20 -0.12 0.00 -0.31 0.00 0.00 62.40 62.51 2dan h SER 58 CO 0.00 -0.05 0.71 -0.55 -0.87 0.00 0.00 176.83 176.07 2dan s SER 59 N -5.27 -0.12 0.00 4.97 0.15 -1.21 -5.10 113.70 107.12 2dan s SER 59 Ca -0.13 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.33 2dan s SER 59 Cb 0.17 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 2dan s SER 59 CO 0.73 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 175.30