#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 -0.02 0.33 1.61 1.04 -1.26 -5.16 113.70 110.24 2dan s SER 2 Ca 0.00 0.66 0.07 0.00 0.48 0.00 0.00 55.95 57.16 2dan s SER 2 Cb 0.00 0.70 -0.07 0.00 0.10 0.00 0.00 66.02 66.76 2dan s SER 2 CO 0.00 -0.21 -0.02 -0.94 0.98 0.00 0.00 173.24 173.05 2dan s SER 3 N 1.97 3.14 -0.41 7.02 1.04 -1.26 -5.09 113.70 120.11 2dan s SER 3 Ca -0.04 -1.28 0.07 0.00 0.48 0.00 0.00 55.95 55.19 2dan s SER 3 Cb -0.11 -0.24 0.33 0.00 0.10 0.00 0.00 66.02 66.10 2dan s SER 3 CO -0.10 -0.40 1.25 0.61 0.98 0.00 0.00 173.24 175.59 2dan n GLY 4 N -0.74 0.72 3.07 7.32 0.00 -1.26 -5.11 105.19 109.18 2dan n GLY 4 Ca -0.05 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 2dan n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dan s SER 5 N -1.07 3.49 -0.30 1.61 0.15 -1.26 -5.08 113.70 111.24 2dan s SER 5 Ca 0.20 -0.88 -0.04 0.00 0.70 0.00 0.00 55.95 55.92 2dan s SER 5 Cb 0.33 -1.41 0.17 0.00 -1.71 0.00 0.00 66.02 63.39 2dan s SER 5 CO -0.08 -0.09 0.62 -0.94 1.20 0.00 0.00 173.24 173.95 2dan s SER 6 N 1.29 -1.30 -0.21 5.45 1.04 -1.26 -5.04 113.70 113.67 2dan s SER 6 Ca -0.00 1.15 0.08 0.00 0.48 0.00 0.00 55.95 57.66 2dan s SER 6 Cb -0.16 2.22 0.25 0.00 0.10 0.00 0.00 66.02 68.44 2dan s SER 6 CO -0.10 -0.24 1.15 0.61 0.98 0.00 0.00 173.24 175.64 2dan n GLY 7 N 5.44 0.88 1.66 7.32 0.00 -1.26 -4.99 105.19 114.23 2dan n GLY 7 Ca -0.05 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.96 5.47 -4.44 0.99 4.77 -1.26 -4.81 117.00 116.76 2dan n LEU 8 Ca -0.11 -2.68 -0.43 0.00 -0.03 0.00 0.00 56.01 52.75 2dan n LEU 8 Cb 0.74 -1.18 -0.04 0.00 -2.33 0.00 0.00 43.42 40.61 2dan n LEU 8 CO -0.10 1.18 0.78 -0.70 -1.33 0.00 0.00 177.39 177.22 2dan s GLU 9 N -0.05 3.24 -0.53 3.23 -6.30 -1.26 -5.00 118.70 112.04 2dan s GLU 9 Ca 0.17 -1.16 -0.20 0.00 -2.50 0.00 0.00 54.97 51.28 2dan s GLU 9 Cb 0.09 -4.44 0.06 0.00 0.00 0.00 0.00 34.13 29.84 2dan s GLU 9 CO -0.01 -1.78 0.72 0.00 0.02 0.00 0.00 175.26 174.22 2dan s ALA 10 N 3.51 3.32 -0.32 6.30 0.00 -1.26 -5.02 121.76 128.30 2dan s ALA 10 Ca 0.24 -1.65 -0.05 0.00 0.00 0.00 0.00 51.96 50.50 2dan s ALA 10 Cb -0.14 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.55 2dan s ALA 10 CO 0.04 -2.14 0.06 0.54 0.00 0.00 0.00 175.76 174.26 2dan s VAL 11 N 3.00 3.52 0.10 0.00 0.11 -1.26 -5.09 120.40 120.77 2dan s VAL 11 Ca 0.19 -1.16 0.08 0.00 -2.93 0.00 0.00 61.98 58.16 2dan s VAL 11 Cb -0.18 -2.97 -0.03 0.00 -1.53 0.00 0.00 36.38 31.67 2dan s VAL 11 CO 0.13 -0.11 -0.22 0.00 -3.33 0.00 0.00 175.10 171.57 2dan s ALA 12 N 1.36 1.88 1.00 1.54 0.00 -1.26 -5.15 121.76 121.13 2dan s ALA 12 Ca -0.02 -1.25 -0.12 0.00 0.00 0.00 0.00 51.96 50.56 2dan s ALA 12 Cb -0.19 -0.28 0.19 0.00 0.00 0.00 0.00 23.12 22.83 2dan s ALA 12 CO 0.01 0.39 1.09 -1.25 0.00 0.00 0.00 175.76 176.01 2dan s PRO 13 N -1.82 0.46 0.11 0.00 0.04 -1.26 -5.08 135.00 127.45 2dan s PRO 13 Ca 0.08 0.53 0.07 0.00 0.04 0.00 0.00 61.00 61.72 2dan s PRO 13 Cb -0.10 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2dan s PRO 13 CO 0.04 -2.72 -0.19 -2.00 0.04 0.00 0.00 177.00 172.18 2dan s GLU 14 N -4.96 1.08 -0.10 4.56 2.12 -1.26 -5.15 118.70 114.99 2dan s GLU 14 Ca 0.65 -1.17 -0.26 0.00 0.36 0.00 0.00 54.97 54.55 2dan s GLU 14 Cb -0.19 -1.24 0.06 0.00 0.26 0.00 0.00 34.13 33.03 2dan s GLU 14 CO 0.58 0.28 0.62 -0.98 -0.54 0.00 0.00 175.26 175.21 2dan s ARG 15 N -2.09 0.91 0.00 4.30 1.70 -1.26 -5.18 118.95 117.33 2dan s ARG 15 Ca 0.07 0.38 0.00 0.00 -0.47 0.00 0.00 55.73 55.71 2dan s ARG 15 Cb -0.09 0.43 0.00 0.00 -0.57 0.00 0.00 34.95 34.72 2dan s ARG 15 CO 0.04 -0.24 0.00 -0.35 -1.08 0.00 0.00 175.30 173.67 2dan n PRO 16 N 1.50 0.29 -3.71 3.89 -0.04 -1.26 -4.92 135.00 130.75 2dan n PRO 16 Ca -0.18 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.16 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 -1.05 0.49 0.95 0.54 6.06 -1.26 -3.50 118.95 121.19 2dan s ARG 17 Ca 0.00 0.68 -0.12 0.00 -2.50 0.00 0.00 55.73 53.79 2dan s ARG 17 Cb 0.00 0.18 0.09 0.00 0.06 0.00 0.00 34.95 35.27 2dan s ARG 17 CO 0.00 -0.09 0.66 0.00 -2.50 0.00 0.00 175.30 173.37 2dan n ALA 19 N -3.91 2.35 0.00 0.00 0.00 -0.93 -3.14 120.51 114.89 2dan n ALA 19 Ca 0.08 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.54 2dan n ALA 19 Cb 0.53 -0.62 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 0.99 0.00 0.24 0.00 4.19 -1.26 -4.82 117.16 116.51 2dan n TYR 20 Ca 0.14 0.00 0.02 0.00 3.31 0.00 0.00 57.90 61.38 2dan n TYR 20 Cb 0.47 0.02 -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 -1.08 -5.93 -4.84 0.00 3.41 -1.19 -4.93 113.62 99.07 2dan n SER 22 Ca 0.01 -0.40 -0.24 0.00 -0.26 0.00 0.00 58.87 57.98 2dan n SER 22 Cb 0.08 -4.64 -0.04 0.00 -0.26 0.00 0.00 64.21 59.35 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 -3.22 3.66 -0.48 7.33 0.00 -1.26 -4.50 121.76 123.29 2dan s ALA 23 Ca 0.43 -1.25 -0.41 0.00 0.00 0.00 0.00 51.96 50.72 2dan s ALA 23 Cb -0.19 -1.43 -0.17 0.00 0.00 0.00 0.00 23.12 21.33 2dan s ALA 23 CO 0.53 0.41 2.17 0.39 0.00 0.00 0.00 175.76 179.25 2dan n GLU 24 N -0.72 0.26 -3.03 0.00 1.02 -1.26 0.16 120.64 117.07 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 -1.74 -0.02 0.00 -0.02 0.00 0.00 31.44 30.21 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 6.41 3.48 0.00 0.62 0.00 -1.23 -4.47 121.76 126.58 2dan s ALA 25 Ca 1.18 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2dan s ALA 25 Cb -1.33 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2dan s ALA 25 CO 0.61 0.02 0.00 0.43 0.00 0.00 0.00 175.76 176.82 2dan n SER 26 N -1.37 2.96 -4.43 0.00 7.64 -1.25 -4.31 113.62 112.86 2dan n SER 26 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 2dan n SER 26 Cb 0.54 0.14 -0.13 0.00 -1.01 0.00 0.00 64.21 63.75 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 2.05 0.39 1.43 -0.14 -1.25 -5.04 119.74 115.53 2dan s LYS 27 Ca 0.00 -0.98 0.07 0.00 -1.36 0.00 0.00 55.97 53.70 2dan s LYS 27 Cb 0.00 -2.15 0.00 0.00 -1.68 0.00 0.00 37.83 34.00 2dan s LYS 27 CO 0.00 0.54 0.55 1.03 -0.76 0.00 0.00 175.35 176.71 2dan s ARG 28 N -1.29 2.94 -0.02 1.68 0.52 -1.26 -2.27 118.95 119.25 2dan s ARG 28 Ca 0.13 -1.10 -0.33 0.00 -0.52 0.00 0.00 55.73 53.92 2dan s ARG 28 Cb -0.10 -2.76 -0.11 0.00 0.52 0.00 0.00 34.95 32.50 2dan s ARG 28 CO 0.04 -0.16 1.90 0.00 0.02 0.00 0.00 175.30 177.09 2dan n SER 30 N 6.72 0.00 -0.12 0.00 7.64 -1.26 0.16 113.62 126.76 2dan n SER 30 Ca 0.21 -1.30 -0.20 0.00 1.01 0.00 0.00 58.87 58.59 2dan n SER 30 Cb 0.34 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.44 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 -0.64 0.55 0.00 1.43 1.74 -1.26 -4.80 116.66 113.68 2dan n ARG 31 Ca 0.05 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 2dan n ARG 31 Cb 0.02 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 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 -0.87 -1.59 0.00 0.00 3.00 0.42 -4.82 117.38 113.52 2dan n GLN 33 Ca 0.00 1.08 0.07 0.00 -0.01 0.00 0.00 57.00 58.15 2dan n GLN 33 Cb 0.00 -5.60 0.01 0.00 0.00 0.00 0.00 30.24 24.65 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 -1.65 1.74 -4.54 1.08 3.02 -1.26 -4.77 115.26 108.88 2dan n ASN 34 Ca -0.22 -1.37 -0.25 0.00 -0.03 0.00 0.00 54.58 52.71 2dan n ASN 34 Cb 0.67 0.35 -0.11 0.00 -0.61 0.00 0.00 39.78 40.09 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 -1.68 1.82 0.11 3.52 2.56 -1.26 -5.01 118.70 118.77 2dan s GLU 35 Ca 0.14 -2.02 0.07 0.00 0.00 0.00 0.00 54.97 53.16 2dan s GLU 35 Cb 0.12 -1.30 -0.04 0.00 2.00 0.00 0.00 34.13 34.92 2dan s GLU 35 CO 0.33 -0.10 -0.18 -1.58 -0.56 0.00 0.00 175.26 173.17 2dan s TRP 36 N -2.97 1.60 -0.24 5.30 0.52 -1.26 -2.21 118.94 119.68 2dan s TRP 36 Ca 0.36 -0.46 -0.12 0.00 0.02 0.00 0.00 56.10 55.89 2dan s TRP 36 Cb 0.09 -0.86 0.08 0.00 -1.15 0.00 0.00 33.47 31.64 2dan s TRP 36 CO 0.17 0.19 0.57 0.71 0.02 0.00 0.00 176.95 178.61 2dan s TYR 37 N -1.56 -0.93 0.30 -1.98 2.02 -0.96 -2.18 117.35 112.07 2dan s TYR 37 Ca 0.07 1.83 0.02 0.00 -0.37 0.00 0.00 57.07 58.63 2dan s TYR 37 Cb -0.08 0.51 0.49 0.00 -0.40 0.00 0.00 41.96 42.48 2dan s TYR 37 CO 0.04 -0.48 1.82 0.00 -1.57 0.00 0.00 175.55 175.36 2dan h ARG 40 N 3.06 0.42 -0.49 0.00 9.65 -1.99 -2.87 114.38 122.16 2dan h ARG 40 Ca -0.34 -0.04 0.09 0.00 -1.10 0.00 0.00 59.98 58.59 2dan h ARG 40 Cb 1.16 -0.09 -0.10 0.00 -1.39 0.00 0.00 29.97 29.55 2dan h ARG 40 CO 0.64 0.33 -0.30 1.49 2.80 0.00 0.00 179.97 184.93 2dan h GLU 41 N 0.39 -0.18 -0.27 0.20 4.81 -1.99 -1.11 114.58 116.42 2dan h GLU 41 Ca 0.11 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.41 2dan h GLU 41 Cb 0.03 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.38 2dan h GLU 41 CO -0.02 -0.12 -0.15 0.00 -0.73 0.00 0.00 179.01 177.99 2dan n GLN 43 N -5.32 0.06 -0.11 0.00 7.27 -0.47 -0.95 117.38 117.87 2dan n GLN 43 Ca -0.00 0.51 -0.14 0.00 0.07 0.00 0.00 57.00 57.44 2dan n GLN 43 Cb 0.23 -1.83 -0.12 0.00 2.41 0.00 0.00 30.24 30.93 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 -1.81 1.33 -0.01 1.69 0.31 0.11 -3.80 118.33 116.15 2dan n VAL 44 Ca -0.01 -0.63 -0.12 0.00 -0.01 0.00 0.00 64.34 63.57 2dan n VAL 44 Cb 0.14 -1.02 -0.08 0.00 -0.91 0.00 0.00 33.84 31.96 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 0.06 0.00 5.55 1.57 0.11 -2.72 116.57 121.14 2dan h LYS 45 Ca -0.52 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2dan h LYS 45 Cb 1.95 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.25 2dan h LYS 45 CO -0.04 0.33 0.00 1.58 -0.57 0.00 0.00 179.45 180.75 2dan n HIS 46 N -4.91 0.00 -0.29 -1.35 -0.00 -0.61 -4.00 115.22 104.05 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 0.17 -0.49 -0.08 0.00 -0.12 0.00 0.00 29.99 29.48 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 -1.47 -1.33 1.57 2.91 -1.58 0.86 115.95 116.91 2dan h TRP 47 Ca 0.00 0.10 0.42 0.00 1.13 0.00 0.00 58.89 60.54 2dan h TRP 47 Cb 0.38 0.73 -0.09 0.00 -0.51 0.00 0.00 29.16 29.67 2dan h TRP 47 CO 0.00 -0.31 0.91 -1.91 -1.03 0.00 0.00 178.44 176.10 2dan n GLU 48 N -4.77 -0.02 -0.06 2.65 2.13 -1.26 0.21 120.64 119.53 2dan n GLU 48 Ca 0.01 0.96 -0.15 0.00 0.66 0.00 0.00 57.16 58.64 2dan n GLU 48 Cb 0.21 -2.02 -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 -3.99 0.68 0.13 5.31 5.02 0.25 -4.41 118.16 121.15 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 1.44 -1.65 -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 -0.37 -0.92 2.13 2.76 0.72 -3.27 115.15 116.22 2dan h HIS 50 Ca -0.45 -0.01 0.32 0.00 -2.20 0.00 0.00 60.37 58.03 2dan h HIS 50 Cb 2.05 0.12 -0.10 0.00 1.55 0.00 0.00 27.41 31.03 2dan h HIS 50 CO 0.03 -0.16 0.59 0.41 -1.30 0.00 0.00 177.93 177.50 2dan n GLY 51 N 0.65 -0.57 0.25 5.26 0.00 0.29 0.10 105.19 111.18 2dan n GLY 51 Ca -0.06 0.52 -0.06 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 -0.16 0.00 1.61 1.57 -1.74 -2.48 116.57 115.38 2dan h LYS 52 Ca 0.60 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 2dan h LYS 52 Cb 1.91 0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.25 2dan h LYS 52 CO -0.33 -0.10 -1.14 0.25 -0.57 0.00 0.00 179.45 177.56 2dan n THR 53 N -5.37 0.05 -0.80 -0.16 -2.24 0.28 -4.99 114.28 101.05 2dan n THR 53 Ca 0.01 -0.15 -0.34 0.00 -2.27 0.00 0.00 64.05 61.29 2dan n THR 53 Cb 0.28 0.54 0.12 0.00 -2.10 0.00 0.00 70.33 69.17 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 -3.10 0.00 0.00 7.64 -1.26 -4.94 113.62 112.07 2dan n SER 55 Ca 0.01 -0.90 0.00 0.00 1.01 0.00 0.00 58.87 58.99 2dan n SER 55 Cb 0.63 -3.41 0.00 0.00 -1.01 0.00 0.00 64.21 60.43 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 -1.64 -1.39 3.57 0.23 0.00 -1.18 -4.11 105.19 100.67 2dan n GLY 56 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 1.61 0.00 1.61 -0.04 -1.26 -4.16 135.00 132.75 2dan n PRO 57 Ca 0.00 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 60.99 2dan n PRO 57 Cb 0.00 -3.72 0.00 0.00 -0.04 0.00 0.00 33.50 29.74 2dan n PRO 57 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dan n SER 58 N 14.28 0.34 -3.96 3.54 7.64 -1.26 -5.12 113.62 129.09 2dan n SER 58 Ca 0.45 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 60.24 2dan n SER 58 Cb 0.46 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.57 2dan n SER 58 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dan s SER 59 N -4.42 0.23 0.00 6.43 1.04 -1.26 -5.23 113.70 110.49 2dan s SER 59 Ca 0.00 -0.61 0.03 0.00 0.48 0.00 0.00 55.95 55.85 2dan s SER 59 Cb 0.00 0.21 0.19 0.00 0.10 0.00 0.00 66.02 66.52 2dan s SER 59 CO 0.00 -0.51 0.67 0.61 0.98 0.00 0.00 173.24 174.99