#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 4.28 0.10 1.61 0.15 -1.26 -5.07 113.70 113.51 2dan s SER 2 Ca 0.00 -3.50 -0.12 0.00 0.70 0.00 0.00 55.95 53.03 2dan s SER 2 Cb 0.00 -1.46 0.01 0.00 -1.71 0.00 0.00 66.02 62.86 2dan s SER 2 CO 0.00 -0.14 0.27 -0.44 1.20 0.00 0.00 173.24 174.14 2dan s SER 3 N -0.92 -0.02 0.00 5.45 0.01 -1.26 -5.04 113.70 111.92 2dan s SER 3 Ca 0.23 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2dan s SER 3 Cb -0.10 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.52 2dan s SER 3 CO -0.12 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.37 2dan n GLY 4 N -0.07 0.11 3.37 3.44 0.00 -1.26 -5.13 105.19 105.66 2dan n GLY 4 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.10 -4.56 1.61 7.64 -1.26 -4.74 113.62 110.21 2dan n SER 5 Ca 0.00 0.77 -0.39 0.00 1.01 0.00 0.00 58.87 60.26 2dan n SER 5 Cb 0.00 -1.01 -0.03 0.00 -1.01 0.00 0.00 64.21 62.16 2dan n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dan s SER 6 N -1.04 5.18 0.00 6.43 1.04 -1.26 -4.79 113.70 119.26 2dan s SER 6 Ca 0.62 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.70 2dan s SER 6 Cb -0.53 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.07 2dan s SER 6 CO 0.60 -2.39 0.00 0.61 0.98 0.00 0.00 173.24 173.04 2dan n GLY 7 N 5.73 0.17 2.57 7.32 0.00 -1.26 -4.95 105.19 114.77 2dan n GLY 7 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.48 0.23 -4.38 0.99 4.32 -1.26 -4.80 117.00 111.62 2dan n LEU 8 Ca 0.00 0.15 -0.46 0.00 -0.02 0.00 0.00 56.01 55.69 2dan n LEU 8 Cb 0.00 -0.68 -0.02 0.00 -1.62 0.00 0.00 43.42 41.10 2dan n LEU 8 CO 0.00 -0.53 0.71 -0.70 -1.22 0.00 0.00 177.39 175.64 2dan s GLU 9 N 6.53 3.66 -0.66 3.23 2.56 -1.26 -4.99 118.70 127.77 2dan s GLU 9 Ca 1.00 -2.25 -0.26 0.00 0.00 0.00 0.00 54.97 53.46 2dan s GLU 9 Cb -0.94 -4.65 -0.10 0.00 2.00 0.00 0.00 34.13 30.44 2dan s GLU 9 CO 0.37 -1.49 2.36 0.00 -0.56 0.00 0.00 175.26 175.93 2dan s ALA 10 N 1.10 1.20 -0.37 6.30 0.00 -1.26 -4.91 121.76 123.83 2dan s ALA 10 Ca 0.26 -0.49 -0.13 0.00 0.00 0.00 0.00 51.96 51.60 2dan s ALA 10 Cb -0.08 -4.47 0.01 0.00 0.00 0.00 0.00 23.12 18.58 2dan s ALA 10 CO -0.09 -5.16 0.25 0.54 0.00 0.00 0.00 175.76 171.30 2dan s VAL 11 N 13.21 5.09 0.06 0.00 0.11 -1.26 -5.07 120.40 132.55 2dan s VAL 11 Ca 0.92 -0.52 0.04 0.00 -2.93 0.00 0.00 61.98 59.49 2dan s VAL 11 Cb -0.14 -3.74 -0.03 0.00 -1.53 0.00 0.00 36.38 30.94 2dan s VAL 11 CO 0.16 -0.16 -0.12 0.00 -3.33 0.00 0.00 175.10 171.65 2dan s ALA 12 N 1.67 0.96 1.00 1.54 0.00 -1.26 -5.16 121.76 120.51 2dan s ALA 12 Ca 0.05 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2dan s ALA 12 Cb -0.18 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.90 2dan s ALA 12 CO 0.09 0.08 0.00 -0.35 0.00 0.00 0.00 175.76 175.58 2dan n PRO 13 N 1.25 -0.74 -4.37 0.00 -0.04 -1.26 -5.08 135.00 124.76 2dan n PRO 13 Ca -0.21 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 62.97 2dan n PRO 13 Cb 0.55 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.88 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 -2.57 1.36 -0.13 0.54 2.12 -1.26 -5.14 118.70 113.62 2dan s GLU 14 Ca 0.00 -1.33 -0.25 0.00 0.36 0.00 0.00 54.97 53.75 2dan s GLU 14 Cb 0.00 -1.79 0.06 0.00 0.26 0.00 0.00 34.13 32.66 2dan s GLU 14 CO 0.00 0.42 0.61 -0.98 -0.54 0.00 0.00 175.26 174.76 2dan s ARG 15 N -2.11 0.86 0.00 4.30 1.04 -1.26 -5.18 118.95 116.61 2dan s ARG 15 Ca 0.13 0.47 0.00 0.00 -1.04 0.00 0.00 55.73 55.29 2dan s ARG 15 Cb -0.10 0.41 0.00 0.00 -2.04 0.00 0.00 34.95 33.22 2dan s ARG 15 CO 0.06 -0.20 0.00 -0.35 -0.04 0.00 0.00 175.30 174.77 2dan n PRO 16 N 1.76 0.27 -3.73 3.89 -0.04 -1.26 -4.93 135.00 130.97 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 -0.10 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 -1.08 0.47 1.00 0.54 6.06 -1.26 -3.56 118.95 121.11 2dan s ARG 17 Ca 0.00 0.61 -0.12 0.00 -2.50 0.00 0.00 55.73 53.72 2dan s ARG 17 Cb 0.00 0.19 0.13 0.00 0.06 0.00 0.00 34.95 35.34 2dan s ARG 17 CO 0.00 -0.08 0.77 0.00 -2.50 0.00 0.00 175.30 173.49 2dan n ALA 19 N -4.21 2.34 0.00 0.00 0.00 -1.01 -3.26 120.51 114.37 2dan n ALA 19 Ca 0.08 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2dan n ALA 19 Cb 0.54 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 0.13 0.00 4.19 -1.26 -4.82 117.16 116.16 2dan n TYR 20 Ca 0.11 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.34 2dan n TYR 20 Cb 0.41 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 40.23 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 -1.09 -5.62 -4.80 0.00 7.64 -1.20 -4.93 113.62 103.62 2dan n SER 22 Ca 0.00 -0.50 -0.22 0.00 1.01 0.00 0.00 58.87 59.16 2dan n SER 22 Cb 0.05 -4.67 -0.05 0.00 -1.01 0.00 0.00 64.21 58.53 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 -3.30 3.60 -0.41 -0.43 0.00 -1.26 -4.54 121.76 115.42 2dan s ALA 23 Ca 0.48 -1.56 -0.37 0.00 0.00 0.00 0.00 51.96 50.51 2dan s ALA 23 Cb -0.21 -1.14 -0.14 0.00 0.00 0.00 0.00 23.12 21.63 2dan s ALA 23 CO 0.67 0.16 2.20 0.39 0.00 0.00 0.00 175.76 179.17 2dan n GLU 24 N -1.20 0.75 -3.30 0.00 1.02 -1.26 0.27 120.64 116.92 2dan n GLU 24 Ca -0.05 0.20 -0.26 0.00 -0.02 0.00 0.00 57.16 57.02 2dan n GLU 24 Cb 0.59 -2.19 -0.02 0.00 -0.02 0.00 0.00 31.44 29.80 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 7.10 3.65 0.00 0.62 0.00 -1.23 -4.48 121.76 127.42 2dan s ALA 25 Ca 1.13 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.34 2dan s ALA 25 Cb -1.03 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2dan s ALA 25 CO 0.53 0.05 0.00 0.43 0.00 0.00 0.00 175.76 176.77 2dan n SER 26 N -1.50 1.73 -4.57 0.00 7.64 -1.26 -4.25 113.62 111.42 2dan n SER 26 Ca -0.03 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.51 2dan n SER 26 Cb 0.55 0.05 -0.11 0.00 -1.01 0.00 0.00 64.21 63.69 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 -1.41 3.08 0.47 1.43 3.01 -1.26 -5.03 119.74 120.04 2dan s LYS 27 Ca 0.00 -0.52 0.03 0.00 -1.01 0.00 0.00 55.97 54.47 2dan s LYS 27 Cb 0.00 -2.72 0.02 0.00 -1.01 0.00 0.00 37.83 34.12 2dan s LYS 27 CO 0.00 0.53 0.67 1.03 0.51 0.00 0.00 175.35 178.09 2dan s ARG 28 N -0.44 2.79 -0.09 1.68 0.52 -1.26 -2.48 118.95 119.67 2dan s ARG 28 Ca 0.07 -0.85 -0.32 0.00 -0.52 0.00 0.00 55.73 54.11 2dan s ARG 28 Cb -0.12 -2.60 -0.10 0.00 0.52 0.00 0.00 34.95 32.64 2dan s ARG 28 CO 0.02 -0.42 1.97 0.00 0.02 0.00 0.00 175.30 176.89 2dan n SER 30 N 7.72 0.00 -0.12 0.00 2.88 -1.26 0.24 113.62 123.08 2dan n SER 30 Ca 0.24 -0.85 -0.24 0.00 -1.33 0.00 0.00 58.87 56.69 2dan n SER 30 Cb 0.34 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.69 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 -0.84 0.62 0.00 -1.46 1.74 -1.26 -4.76 116.66 110.69 2dan n ARG 31 Ca 0.11 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 2dan n ARG 31 Cb 0.05 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 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 -0.81 -2.78 -0.02 0.00 3.00 0.66 -4.81 117.38 112.63 2dan n GLN 33 Ca 0.00 0.73 0.03 0.00 -0.01 0.00 0.00 57.00 57.76 2dan n GLN 33 Cb 0.00 -5.42 0.04 0.00 0.00 0.00 0.00 30.24 24.86 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 -2.07 1.73 -4.41 1.08 3.02 -1.26 -4.78 115.26 108.57 2dan n ASN 34 Ca -0.14 -1.40 -0.20 0.00 -0.03 0.00 0.00 54.58 52.81 2dan n ASN 34 Cb 0.62 -0.02 -0.10 0.00 -0.61 0.00 0.00 39.78 39.66 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 -0.64 1.55 0.11 3.52 2.56 -1.26 -5.00 118.70 119.54 2dan s GLU 35 Ca 0.09 -1.84 0.08 0.00 0.00 0.00 0.00 54.97 53.31 2dan s GLU 35 Cb 0.06 -0.76 -0.04 0.00 2.00 0.00 0.00 34.13 35.39 2dan s GLU 35 CO 0.09 -0.16 -0.21 -1.58 -0.56 0.00 0.00 175.26 172.83 2dan s TRP 36 N -3.36 1.82 -0.24 5.30 0.52 -1.26 -1.96 118.94 119.75 2dan s TRP 36 Ca 0.34 -0.42 -0.09 0.00 0.02 0.00 0.00 56.10 55.95 2dan s TRP 36 Cb 0.08 -0.99 0.10 0.00 -1.15 0.00 0.00 33.47 31.51 2dan s TRP 36 CO 0.14 0.22 0.54 0.71 0.02 0.00 0.00 176.95 178.57 2dan s TYR 37 N -1.23 -1.03 0.34 -1.98 2.02 -1.04 -2.40 117.35 112.04 2dan s TYR 37 Ca 0.08 1.89 0.03 0.00 -0.37 0.00 0.00 57.07 58.69 2dan s TYR 37 Cb -0.10 0.53 0.64 0.00 -0.40 0.00 0.00 41.96 42.63 2dan s TYR 37 CO 0.05 -0.55 1.98 0.00 -1.57 0.00 0.00 175.55 175.45 2dan h ARG 40 N 2.99 0.62 -0.47 0.00 9.65 -1.99 -2.95 114.38 122.23 2dan h ARG 40 Ca -0.35 -0.06 0.09 0.00 -1.10 0.00 0.00 59.98 58.56 2dan h ARG 40 Cb 1.17 -0.13 -0.10 0.00 -1.39 0.00 0.00 29.97 29.52 2dan h ARG 40 CO 0.64 0.47 -0.30 1.49 2.80 0.00 0.00 179.97 185.06 2dan h GLU 41 N 0.59 -0.19 -0.40 0.20 4.81 -1.98 -0.78 114.58 116.83 2dan h GLU 41 Ca 0.16 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.48 2dan h GLU 41 Cb 0.02 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.37 2dan h GLU 41 CO -0.03 -0.13 -0.04 0.00 -0.73 0.00 0.00 179.01 178.09 2dan n GLN 43 N -5.24 0.11 -0.11 0.00 7.27 -0.38 -1.16 117.38 117.87 2dan n GLN 43 Ca 0.03 0.61 -0.15 0.00 0.07 0.00 0.00 57.00 57.56 2dan n GLN 43 Cb 0.22 -1.87 -0.14 0.00 2.41 0.00 0.00 30.24 30.86 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 -2.10 1.46 -0.04 1.69 0.31 0.12 -3.78 118.33 115.99 2dan n VAL 44 Ca -0.01 -0.69 -0.13 0.00 -0.01 0.00 0.00 64.34 63.49 2dan n VAL 44 Cb 0.03 -1.03 -0.09 0.00 -0.91 0.00 0.00 33.84 31.85 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 0.19 0.00 5.55 1.57 0.50 -2.98 116.57 121.40 2dan h LYS 45 Ca -0.56 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 2dan h LYS 45 Cb 2.05 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.36 2dan h LYS 45 CO -0.04 0.65 0.00 1.58 -0.57 0.00 0.00 179.45 181.07 2dan n HIS 46 N -4.68 0.18 -0.31 -1.35 -0.00 -0.31 -3.93 115.22 104.82 2dan n HIS 46 Ca -0.07 0.06 -0.08 0.00 0.46 0.00 0.00 57.72 58.09 2dan n HIS 46 Cb 0.32 -0.60 -0.07 0.00 -0.12 0.00 0.00 29.99 29.52 2dan n HIS 46 CO 0.00 0.00 0.00 1.87 0.46 0.00 0.00 176.34 178.67 2dan n TRP 47 N -1.65 -0.32 -0.32 1.57 -0.00 -1.13 0.89 117.44 116.48 2dan n TRP 47 Ca 0.04 0.91 0.29 0.00 -0.00 0.00 0.00 57.50 58.74 2dan n TRP 47 Cb 0.24 -0.55 0.51 0.00 -0.00 0.00 0.00 31.31 31.50 2dan n TRP 47 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 2dan n GLU 48 N -4.65 -0.04 -0.02 5.87 2.13 -1.25 0.25 120.64 122.93 2dan n GLU 48 Ca 0.01 1.06 -0.11 0.00 0.66 0.00 0.00 57.16 58.79 2dan n GLU 48 Cb 0.19 -1.99 -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 -4.57 0.65 0.08 5.31 4.01 0.26 -4.33 118.16 119.58 2dan n LYS 49 Ca 0.32 0.29 -0.05 0.00 -0.51 0.00 0.00 58.31 58.36 2dan n LYS 49 Cb 1.15 -1.78 -0.02 0.00 -0.51 0.00 0.00 35.03 33.87 2dan n LYS 49 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 2dan h HIS 50 N 0.01 -0.29 -0.99 2.13 2.76 0.83 -3.29 115.15 116.32 2dan h HIS 50 Ca -0.31 -0.01 0.32 0.00 -2.20 0.00 0.00 60.37 58.17 2dan h HIS 50 Cb 2.02 0.09 -0.08 0.00 1.55 0.00 0.00 27.41 31.00 2dan h HIS 50 CO 0.01 -0.18 0.66 0.41 -1.30 0.00 0.00 177.93 177.54 2dan n GLY 51 N 0.99 -0.56 0.33 5.26 0.00 0.34 0.69 105.19 112.23 2dan n GLY 51 Ca -0.04 0.47 -0.09 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.29 -0.35 1.61 1.57 -1.75 -2.29 116.57 115.07 2dan h LYS 52 Ca 0.57 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.37 2dan h LYS 52 Cb 1.98 0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.36 2dan h LYS 52 CO -0.22 -0.20 0.00 0.25 -0.57 0.00 0.00 179.45 178.72 2dan n THR 53 N -5.41 2.04 -1.35 -0.16 -2.24 0.22 -5.02 114.28 102.36 2dan n THR 53 Ca -0.01 -1.58 -0.30 0.00 -2.27 0.00 0.00 64.05 59.90 2dan n THR 53 Cb 0.33 -0.07 0.13 0.00 -2.10 0.00 0.00 70.33 68.62 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 -3.76 -5.60 -4.43 0.00 7.64 -1.26 -4.81 113.62 101.41 2dan n SER 55 Ca 0.07 0.13 -0.48 0.00 1.01 0.00 0.00 58.87 59.60 2dan n SER 55 Cb 0.56 -4.69 -0.10 0.00 -1.01 0.00 0.00 64.21 58.97 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 -0.88 -0.03 0.00 0.23 0.00 -1.24 -4.75 105.19 98.51 2dan n GLY 56 Ca -0.23 1.02 0.07 0.00 0.00 0.00 0.00 46.02 46.88 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 8.23 0.03 -1.72 1.61 -0.04 -1.26 -4.60 135.00 137.25 2dan n PRO 57 Ca 0.52 0.24 -0.18 0.00 -0.04 0.00 0.00 63.50 64.05 2dan n PRO 57 Cb 0.14 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.02 2dan n PRO 57 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dan s SER 58 N -2.94 4.07 0.00 3.54 1.04 -1.26 -4.89 113.70 113.26 2dan s SER 58 Ca 0.08 -0.61 -0.30 0.00 0.48 0.00 0.00 55.95 55.60 2dan s SER 58 Cb 0.09 -2.57 -0.07 0.00 0.10 0.00 0.00 66.02 63.57 2dan s SER 58 CO 0.25 -3.90 1.66 -0.44 0.98 0.00 0.00 173.24 171.80 2dan s SER 59 N 9.12 6.64 0.00 7.02 0.01 -1.26 -5.17 113.70 130.06 2dan s SER 59 Ca 0.82 2.35 0.28 0.00 1.31 0.00 0.00 55.95 60.72 2dan s SER 59 Cb -0.08 -2.55 1.02 0.00 0.21 0.00 0.00 66.02 64.63 2dan s SER 59 CO 0.10 -0.91 1.73 0.61 0.41 0.00 0.00 173.24 175.19