#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 5.68 -0.43 1.61 1.04 -1.26 -4.98 113.70 115.36 2dan s SER 2 Ca 0.00 -0.06 -0.02 0.00 0.48 0.00 0.00 55.95 56.35 2dan s SER 2 Cb 0.00 -2.04 0.24 0.00 0.10 0.00 0.00 66.02 64.32 2dan s SER 2 CO 0.00 -0.02 2.16 -1.54 0.98 0.00 0.00 173.24 174.82 2dan n SER 3 N 4.82 6.77 -2.84 7.02 3.41 -1.26 -4.66 113.62 126.88 2dan n SER 3 Ca -0.15 -3.27 -0.36 0.00 -0.26 0.00 0.00 58.87 54.84 2dan n SER 3 Cb 0.52 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 2dan n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dan n GLY 4 N 0.15 5.14 3.20 5.00 0.00 -1.26 -4.84 105.19 112.58 2dan n GLY 4 Ca 0.41 -2.26 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.54 6.37 0.19 1.61 0.01 -1.26 -5.05 113.70 115.03 2dan s SER 5 Ca 0.54 -3.46 -0.23 0.00 1.31 0.00 0.00 55.95 54.11 2dan s SER 5 Cb 0.39 -2.02 -0.08 0.00 0.21 0.00 0.00 66.02 64.52 2dan s SER 5 CO -0.32 -0.28 0.74 -0.55 0.41 0.00 0.00 173.24 173.24 2dan s SER 6 N 0.64 7.23 0.13 2.44 0.15 -1.26 -5.05 113.70 117.99 2dan s SER 6 Ca 0.26 1.53 -0.27 0.00 0.70 0.00 0.00 55.95 58.18 2dan s SER 6 Cb -0.10 -2.46 -0.07 0.00 -1.71 0.00 0.00 66.02 61.68 2dan s SER 6 CO -0.10 0.14 0.83 -0.83 1.20 0.00 0.00 173.24 174.48 2dan s GLY 7 N -1.36 2.93 -0.46 9.45 0.00 -1.26 -4.98 107.32 111.65 2dan s GLY 7 Ca 0.38 0.41 0.04 0.00 0.00 0.00 0.00 44.72 45.55 2dan s GLY 7 CO 0.23 1.08 1.46 1.04 0.00 0.00 0.00 173.10 176.91 2dan n LEU 8 N 2.13 5.81 -1.14 0.66 4.77 -1.26 -4.74 117.00 123.22 2dan n LEU 8 Ca -0.03 -4.72 -0.03 0.00 -0.03 0.00 0.00 56.01 51.20 2dan n LEU 8 Cb 0.49 -0.58 0.07 0.00 -2.33 0.00 0.00 43.42 41.07 2dan n LEU 8 CO 0.48 1.94 0.59 -1.84 -1.33 0.00 0.00 177.39 177.23 2dan n GLU 9 N -0.71 1.63 -1.51 3.23 0.00 -1.26 -4.90 120.64 117.11 2dan n GLU 9 Ca 0.49 -0.82 -0.37 0.00 0.00 0.00 0.00 57.16 56.46 2dan n GLU 9 Cb 0.78 -1.48 -0.13 0.00 0.00 0.00 0.00 31.44 30.62 2dan n GLU 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2dan n ALA 10 N 0.10 0.50 -3.59 -1.84 0.00 -1.26 -4.87 120.51 109.55 2dan n ALA 10 Ca 0.13 -0.54 -0.35 0.00 0.00 0.00 0.00 53.44 52.67 2dan n ALA 10 Cb 0.69 -2.55 -0.14 0.00 0.00 0.00 0.00 19.45 17.45 2dan n ALA 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dan s VAL 11 N 9.11 3.12 0.10 0.00 0.11 -1.26 -5.10 120.40 126.47 2dan s VAL 11 Ca 1.25 -1.12 0.07 0.00 -2.93 0.00 0.00 61.98 59.24 2dan s VAL 11 Cb -0.91 -2.68 -0.04 0.00 -1.53 0.00 0.00 36.38 31.22 2dan s VAL 11 CO 0.43 0.04 -0.08 0.00 -3.33 0.00 0.00 175.10 172.16 2dan s ALA 12 N 1.33 3.01 1.00 1.54 0.00 -1.26 -5.14 121.76 122.24 2dan s ALA 12 Ca -0.02 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.73 2dan s ALA 12 Cb -0.18 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 21.99 2dan s ALA 12 CO -0.02 0.65 0.00 -0.35 0.00 0.00 0.00 175.76 176.04 2dan n PRO 13 N 0.71 0.08 -4.32 0.00 -0.04 -1.26 -5.07 135.00 125.10 2dan n PRO 13 Ca -0.13 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.05 2dan n PRO 13 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.87 2dan n PRO 13 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2dan s GLU 14 N -1.37 1.81 -0.08 0.54 2.12 -1.26 -5.14 118.70 115.32 2dan s GLU 14 Ca 0.00 -1.26 -0.23 0.00 0.36 0.00 0.00 54.97 53.84 2dan s GLU 14 Cb 0.00 -2.08 0.05 0.00 0.26 0.00 0.00 34.13 32.36 2dan s GLU 14 CO 0.00 0.45 0.53 -0.98 -0.54 0.00 0.00 175.26 174.72 2dan s ARG 15 N -2.41 0.82 0.00 4.30 1.70 -1.26 -5.17 118.95 116.93 2dan s ARG 15 Ca 0.20 0.24 0.00 0.00 -0.47 0.00 0.00 55.73 55.71 2dan s ARG 15 Cb -0.10 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.67 2dan s ARG 15 CO 0.11 -0.22 0.00 -0.35 -1.08 0.00 0.00 175.30 173.77 2dan n PRO 16 N 1.52 0.21 -3.76 3.89 -0.04 -1.26 -4.90 135.00 130.66 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 33.92 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 -1.16 0.45 1.00 0.54 6.06 -1.26 -3.25 118.95 121.33 2dan s ARG 17 Ca 0.00 0.34 -0.11 0.00 -2.50 0.00 0.00 55.73 53.46 2dan s ARG 17 Cb 0.00 0.22 0.18 0.00 0.06 0.00 0.00 34.95 35.40 2dan s ARG 17 CO 0.00 -0.07 1.00 0.00 -2.50 0.00 0.00 175.30 173.73 2dan n ALA 19 N -4.42 2.36 0.00 0.00 0.00 -1.03 -3.31 120.51 114.10 2dan n ALA 19 Ca 0.09 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2dan n ALA 19 Cb 0.53 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 0.73 0.00 0.17 0.00 4.19 -1.26 -4.82 117.16 116.17 2dan n TYR 20 Ca 0.10 0.00 0.02 0.00 3.31 0.00 0.00 57.90 61.33 2dan n TYR 20 Cb 0.39 0.00 -0.02 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 -1.03 -4.71 -4.68 0.00 7.64 -1.21 -4.93 113.62 104.71 2dan n SER 22 Ca 0.01 -0.55 -0.26 0.00 1.01 0.00 0.00 58.87 59.08 2dan n SER 22 Cb 0.06 -4.89 -0.07 0.00 -1.01 0.00 0.00 64.21 58.29 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 3.23 -0.46 -0.43 0.00 -1.26 -4.56 121.76 114.96 2dan s ALA 23 Ca 0.36 -1.40 -0.42 0.00 0.00 0.00 0.00 51.96 50.50 2dan s ALA 23 Cb -0.16 -1.00 -0.17 0.00 0.00 0.00 0.00 23.12 21.79 2dan s ALA 23 CO 0.70 0.44 2.15 0.39 0.00 0.00 0.00 175.76 179.44 2dan n GLU 24 N -0.30 0.25 -3.47 0.00 1.02 -1.26 0.12 120.64 117.00 2dan n GLU 24 Ca -0.09 0.07 -0.28 0.00 -0.02 0.00 0.00 57.16 56.84 2dan n GLU 24 Cb 0.56 -1.73 -0.03 0.00 -0.02 0.00 0.00 31.44 30.22 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 6.29 3.70 0.00 0.62 0.00 -1.20 -4.48 121.76 126.68 2dan s ALA 25 Ca 1.17 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.49 2dan s ALA 25 Cb -1.35 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2dan s ALA 25 CO 0.62 0.32 0.00 0.45 0.00 0.00 0.00 175.76 177.15 2dan n SER 26 N -0.81 2.97 -4.54 0.00 2.88 -1.26 -4.11 113.62 108.75 2dan n SER 26 Ca -0.03 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.22 2dan n SER 26 Cb 0.54 0.31 -0.10 0.00 -0.75 0.00 0.00 64.21 64.20 2dan n SER 26 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2dan s LYS 27 N -1.57 1.99 0.35 -1.46 -0.14 -1.26 -5.05 119.74 112.61 2dan s LYS 27 Ca 0.00 -1.08 0.08 0.00 -1.36 0.00 0.00 55.97 53.61 2dan s LYS 27 Cb 0.00 -2.23 -0.04 0.00 -1.68 0.00 0.00 37.83 33.88 2dan s LYS 27 CO 0.00 0.50 0.22 1.03 -0.76 0.00 0.00 175.35 176.34 2dan s ARG 28 N -2.16 2.49 -0.12 1.68 0.52 -1.26 -2.25 118.95 117.84 2dan s ARG 28 Ca 0.20 -1.49 -0.33 0.00 -0.52 0.00 0.00 55.73 53.59 2dan s ARG 28 Cb -0.11 -2.28 -0.10 0.00 0.52 0.00 0.00 34.95 32.98 2dan s ARG 28 CO 0.12 0.05 2.00 0.00 0.02 0.00 0.00 175.30 177.49 2dan n SER 30 N 8.08 0.00 -0.09 0.00 7.64 -1.26 0.24 113.62 128.23 2dan n SER 30 Ca 0.26 -0.54 -0.23 0.00 1.01 0.00 0.00 58.87 59.37 2dan n SER 30 Cb 0.33 -0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.41 2dan n SER 30 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2dan n ARG 31 N -1.00 0.62 0.00 1.43 1.74 -1.26 -4.75 116.66 113.44 2dan n ARG 31 Ca 0.13 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.61 2dan n ARG 31 Cb 0.06 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 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 -1.46 -0.00 0.00 3.00 0.67 -4.68 117.38 113.70 2dan n GLN 33 Ca 0.00 0.89 0.04 0.00 -0.01 0.00 0.00 57.00 57.92 2dan n GLN 33 Cb 0.08 -5.41 0.03 0.00 0.00 0.00 0.00 30.24 24.94 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 -1.50 1.67 -4.47 1.08 5.03 -1.26 -4.78 115.26 111.02 2dan n ASN 34 Ca -0.22 -1.34 -0.23 0.00 0.87 0.00 0.00 54.58 53.67 2dan n ASN 34 Cb 0.67 -0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 39.32 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 -0.65 1.67 0.09 3.52 2.56 -1.26 -5.00 118.70 119.63 2dan s GLU 35 Ca 0.09 -1.90 0.07 0.00 0.00 0.00 0.00 54.97 53.24 2dan s GLU 35 Cb 0.07 -1.13 -0.03 0.00 2.00 0.00 0.00 34.13 35.03 2dan s GLU 35 CO 0.10 -0.07 -0.20 -1.58 -0.56 0.00 0.00 175.26 172.95 2dan s TRP 36 N -3.07 1.68 -0.25 5.30 0.52 -1.26 -2.12 118.94 119.73 2dan s TRP 36 Ca 0.33 -0.42 -0.09 0.00 0.02 0.00 0.00 56.10 55.94 2dan s TRP 36 Cb 0.07 -0.93 0.11 0.00 -1.15 0.00 0.00 33.47 31.56 2dan s TRP 36 CO 0.15 0.17 0.55 0.71 0.02 0.00 0.00 176.95 178.54 2dan s TYR 37 N -1.14 -1.07 0.32 -1.98 2.02 -0.95 -2.48 117.35 112.07 2dan s TYR 37 Ca 0.05 1.94 0.03 0.00 -0.37 0.00 0.00 57.07 58.72 2dan s TYR 37 Cb -0.10 0.56 0.63 0.00 -0.40 0.00 0.00 41.96 42.66 2dan s TYR 37 CO 0.04 -0.57 1.90 0.00 -1.57 0.00 0.00 175.55 175.35 2dan h ARG 40 N 3.08 0.22 -0.68 0.00 9.65 -2.00 -2.83 114.38 121.81 2dan h ARG 40 Ca -0.35 -0.01 0.13 0.00 -1.10 0.00 0.00 59.98 58.65 2dan h ARG 40 Cb 1.15 -0.05 -0.13 0.00 -1.39 0.00 0.00 29.97 29.55 2dan h ARG 40 CO 0.65 0.14 -0.28 1.49 2.80 0.00 0.00 179.97 184.77 2dan h GLU 41 N 0.22 -0.08 -0.21 0.20 4.81 -1.98 -0.05 114.58 117.49 2dan h GLU 41 Ca 0.08 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 2dan h GLU 41 Cb 0.01 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 2dan h GLU 41 CO -0.05 -0.06 -0.13 0.00 -0.73 0.00 0.00 179.01 178.05 2dan h GLN 43 N -0.12 0.00 0.02 0.00 4.15 -0.83 0.51 115.11 118.83 2dan h GLN 43 Ca 0.12 0.00 -0.36 0.00 0.77 0.00 0.00 58.65 59.18 2dan h GLN 43 Cb 0.30 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.93 2dan h GLN 43 CO -0.28 0.00 -2.22 0.28 -1.93 0.00 0.00 178.83 174.67 2dan n VAL 44 N -2.34 1.51 -0.04 2.39 0.31 0.58 -3.56 118.33 117.18 2dan n VAL 44 Ca -0.01 -0.75 -0.13 0.00 -0.01 0.00 0.00 64.34 63.43 2dan n VAL 44 Cb 0.18 -0.98 -0.09 0.00 -0.91 0.00 0.00 33.84 32.05 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 0.22 0.00 5.55 1.57 0.12 -3.02 116.57 121.02 2dan h LYS 45 Ca -0.49 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 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 -4.64 0.21 -0.34 -1.35 -0.00 -0.36 -3.97 115.22 104.77 2dan n HIS 46 Ca -0.07 0.07 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 2dan n HIS 46 Cb 0.34 -0.62 -0.09 0.00 -0.12 0.00 0.00 29.99 29.51 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 -1.61 -1.31 1.57 2.91 -1.58 0.92 115.95 116.85 2dan h TRP 47 Ca 0.00 0.11 0.42 0.00 1.13 0.00 0.00 58.89 60.55 2dan h TRP 47 Cb 0.42 0.81 -0.10 0.00 -0.51 0.00 0.00 29.16 29.78 2dan h TRP 47 CO 0.00 -0.32 0.89 -1.91 -1.03 0.00 0.00 178.44 176.07 2dan n GLU 48 N -4.93 -0.02 -0.06 2.65 2.13 -1.25 0.18 120.64 119.34 2dan n GLU 48 Ca 0.01 0.97 -0.16 0.00 0.66 0.00 0.00 57.16 58.65 2dan n GLU 48 Cb 0.23 -2.03 -0.14 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 -4.04 0.69 0.19 5.31 5.02 0.27 -4.41 118.16 121.18 2dan n LYS 49 Ca 0.34 0.19 -0.08 0.00 -2.02 0.00 0.00 58.31 56.74 2dan n LYS 49 Cb 1.42 -1.63 -0.04 0.00 -0.02 0.00 0.00 35.03 34.76 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 -0.51 -1.11 2.13 2.76 0.66 -3.23 115.15 115.87 2dan h HIS 50 Ca -0.47 -0.01 0.36 0.00 -2.20 0.00 0.00 60.37 58.05 2dan h HIS 50 Cb 2.03 0.17 -0.08 0.00 1.55 0.00 0.00 27.41 31.08 2dan h HIS 50 CO 0.03 -0.32 0.75 0.41 -1.30 0.00 0.00 177.93 177.51 2dan n GLY 51 N 0.35 -0.62 0.20 5.26 0.00 0.27 0.11 105.19 110.75 2dan n GLY 51 Ca -0.07 0.51 -0.06 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.08 0.00 1.61 1.57 -1.73 -2.64 116.57 115.30 2dan h LYS 52 Ca 0.63 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.41 2dan h LYS 52 Cb 2.21 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.54 2dan h LYS 52 CO -0.20 -0.05 -1.19 0.25 -0.57 0.00 0.00 179.45 177.68 2dan n THR 53 N -5.33 0.01 -0.81 -0.16 -2.24 0.29 -4.99 114.28 101.05 2dan n THR 53 Ca 0.01 -0.12 -0.34 0.00 -2.27 0.00 0.00 64.05 61.33 2dan n THR 53 Cb 0.24 0.72 0.11 0.00 -2.10 0.00 0.00 70.33 69.30 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 0.12 -5.94 0.00 0.00 2.88 -1.26 -4.96 113.62 104.46 2dan n SER 55 Ca 0.01 -0.56 0.00 0.00 -1.33 0.00 0.00 58.87 56.99 2dan n SER 55 Cb 0.62 -4.70 0.00 0.00 -0.75 0.00 0.00 64.21 59.37 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 -1.86 -1.68 0.00 0.46 0.00 -1.20 -4.35 105.19 96.55 2dan n GLY 56 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.16 -2.74 1.61 -0.04 -1.26 -4.76 135.00 127.96 2dan n PRO 57 Ca 0.00 0.17 -0.37 0.00 -0.04 0.00 0.00 63.50 63.26 2dan n PRO 57 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 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 -2.67 7.31 -0.04 3.54 0.15 -1.26 -4.96 113.70 115.76 2dan s SER 58 Ca 0.12 1.88 -0.32 0.00 0.70 0.00 0.00 55.95 58.33 2dan s SER 58 Cb 0.10 -2.58 -0.10 0.00 -1.71 0.00 0.00 66.02 61.72 2dan s SER 58 CO 0.23 -0.09 1.95 -0.24 1.20 0.00 0.00 173.24 176.29 2dan n SER 59 N 0.60 3.77 0.00 5.45 2.88 -1.26 -4.90 113.62 120.17 2dan n SER 59 Ca 0.02 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 2dan n SER 59 Cb 0.50 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 2dan n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42