#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dan h SER 2 N 0.00 -0.02 -4.46 1.61 0.87 -2.12 -3.43 113.55 106.00 2dan h SER 2 Ca 0.00 0.01 -0.48 0.00 -1.23 0.00 0.00 61.79 60.09 2dan h SER 2 Cb 0.00 0.02 0.10 0.00 -0.44 0.00 0.00 62.40 62.08 2dan h SER 2 CO 0.00 0.00 0.39 -0.55 -0.53 0.00 0.00 176.83 176.14 2dan s SER 3 N -5.21 4.83 0.00 6.23 0.15 -1.26 -4.67 113.70 113.76 2dan s SER 3 Ca -0.13 1.05 0.00 0.00 0.70 0.00 0.00 55.95 57.57 2dan s SER 3 Cb 0.07 -1.73 0.00 0.00 -1.71 0.00 0.00 66.02 62.65 2dan s SER 3 CO 0.67 -1.73 0.00 0.61 1.20 0.00 0.00 173.24 173.99 2dan n GLY 4 N -2.84 4.09 1.68 9.45 0.00 -1.26 -4.97 105.19 111.33 2dan n GLY 4 Ca 0.07 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 45.32 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 5.69 -4.44 1.61 7.64 -1.26 -4.75 113.62 118.10 2dan n SER 5 Ca 0.00 -2.62 -0.44 0.00 1.01 0.00 0.00 58.87 56.82 2dan n SER 5 Cb 0.00 -1.14 -0.00 0.00 -1.01 0.00 0.00 64.21 62.06 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 1.44 7.07 -0.14 6.43 1.04 -1.26 -4.99 113.70 123.30 2dan s SER 6 Ca 0.15 -3.01 -0.29 0.00 0.48 0.00 0.00 55.95 53.28 2dan s SER 6 Cb 0.10 -2.37 -0.05 0.00 0.10 0.00 0.00 66.02 63.80 2dan s SER 6 CO -0.01 -0.70 1.90 -0.83 0.98 0.00 0.00 173.24 174.58 2dan s GLY 7 N 2.65 1.10 -0.62 7.32 0.00 -1.26 -4.87 107.32 111.63 2dan s GLY 7 Ca 0.40 0.83 -0.00 0.00 0.00 0.00 0.00 44.72 45.95 2dan s GLY 7 CO -0.02 3.38 1.87 1.04 0.00 0.00 0.00 173.10 179.37 2dan n LEU 8 N 9.05 7.16 -4.57 0.66 4.77 -1.26 -4.96 117.00 127.86 2dan n LEU 8 Ca 0.22 -4.46 -0.37 0.00 -0.03 0.00 0.00 56.01 51.37 2dan n LEU 8 Cb 0.44 -0.87 -0.11 0.00 -2.33 0.00 0.00 43.42 40.55 2dan n LEU 8 CO 0.66 1.63 -0.22 -1.83 -1.33 0.00 0.00 177.39 176.31 2dan s GLU 9 N -3.82 3.89 -0.36 3.23 4.04 -1.26 -5.05 118.70 119.37 2dan s GLU 9 Ca 0.61 -0.36 0.01 0.00 0.04 0.00 0.00 54.97 55.27 2dan s GLU 9 Cb 0.48 -3.47 0.11 0.00 0.02 0.00 0.00 34.13 31.27 2dan s GLU 9 CO -0.06 -0.07 0.14 0.00 -1.84 0.00 0.00 175.26 173.43 2dan s ALA 10 N 1.38 1.97 -0.38 -0.84 0.00 -1.26 -5.08 121.76 117.55 2dan s ALA 10 Ca 0.06 -2.12 -0.04 0.00 0.00 0.00 0.00 51.96 49.86 2dan s ALA 10 Cb -0.15 -1.77 0.09 0.00 0.00 0.00 0.00 23.12 21.29 2dan s ALA 10 CO 0.06 -1.80 0.16 0.08 0.00 0.00 0.00 175.76 174.26 2dan s VAL 11 N 1.08 3.39 0.07 0.00 1.01 -1.26 -5.09 120.40 119.61 2dan s VAL 11 Ca 0.13 -1.75 0.02 0.00 0.00 0.00 0.00 61.98 60.37 2dan s VAL 11 Cb -0.20 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2dan s VAL 11 CO -0.14 -0.51 0.11 0.00 0.00 0.00 0.00 175.10 174.57 2dan s ALA 12 N 1.22 3.68 1.13 5.51 0.00 -1.26 -5.12 121.76 126.92 2dan s ALA 12 Ca 0.04 -0.97 -0.17 0.00 0.00 0.00 0.00 51.96 50.87 2dan s ALA 12 Cb -0.22 -1.53 0.25 0.00 0.00 0.00 0.00 23.12 21.62 2dan s ALA 12 CO -0.02 0.77 1.10 -1.25 0.00 0.00 0.00 175.76 176.36 2dan s PRO 13 N -2.41 -0.61 0.12 0.00 0.04 -1.26 -5.07 135.00 125.81 2dan s PRO 13 Ca 0.31 0.15 0.07 0.00 0.04 0.00 0.00 61.00 61.57 2dan s PRO 13 Cb -0.12 -1.65 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 2dan s PRO 13 CO 0.23 -3.35 -0.08 -2.00 0.04 0.00 0.00 177.00 171.84 2dan s GLU 14 N -5.23 2.17 -0.09 4.56 2.12 -1.26 -5.13 118.70 115.84 2dan s GLU 14 Ca 0.69 -1.06 -0.25 0.00 0.36 0.00 0.00 54.97 54.71 2dan s GLU 14 Cb -0.13 -2.31 0.06 0.00 0.26 0.00 0.00 34.13 32.01 2dan s GLU 14 CO 0.57 0.49 0.59 -0.98 -0.54 0.00 0.00 175.26 175.39 2dan s ARG 15 N -2.39 0.88 0.00 4.30 1.04 -1.26 -5.17 118.95 116.35 2dan s ARG 15 Ca 0.23 0.34 0.00 0.00 -1.04 0.00 0.00 55.73 55.26 2dan s ARG 15 Cb -0.11 0.42 0.00 0.00 -2.04 0.00 0.00 34.95 33.22 2dan s ARG 15 CO 0.15 -0.23 0.00 -0.35 -0.04 0.00 0.00 175.30 174.83 2dan n PRO 16 N 1.51 0.24 -3.74 3.89 -0.04 -1.26 -4.91 135.00 130.69 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 -1.13 0.44 1.03 0.54 6.06 -1.26 -3.44 118.95 121.20 2dan s ARG 17 Ca 0.00 0.55 -0.12 0.00 -2.50 0.00 0.00 55.73 53.65 2dan s ARG 17 Cb 0.00 0.20 0.17 0.00 0.06 0.00 0.00 34.95 35.38 2dan s ARG 17 CO 0.00 -0.06 0.83 0.00 -2.50 0.00 0.00 175.30 173.57 2dan n ALA 19 N -4.38 2.39 0.00 0.00 0.00 -1.04 -3.31 120.51 114.16 2dan n ALA 19 Ca 0.07 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2dan n ALA 19 Cb 0.54 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 0.68 0.00 0.06 0.00 4.19 -1.26 -4.81 117.16 116.02 2dan n TYR 20 Ca 0.09 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.31 2dan n TYR 20 Cb 0.36 0.00 -0.01 0.00 0.49 0.00 0.00 39.34 40.18 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 -0.88 -4.39 -4.67 0.00 7.64 -1.21 -4.93 113.62 105.19 2dan n SER 22 Ca 0.00 -0.60 -0.25 0.00 1.01 0.00 0.00 58.87 59.04 2dan n SER 22 Cb 0.02 -4.95 -0.07 0.00 -1.01 0.00 0.00 64.21 58.20 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 3.21 -0.45 -0.43 0.00 -1.26 -4.55 121.76 114.93 2dan s ALA 23 Ca 0.34 -1.48 -0.42 0.00 0.00 0.00 0.00 51.96 50.40 2dan s ALA 23 Cb -0.15 -0.93 -0.17 0.00 0.00 0.00 0.00 23.12 21.87 2dan s ALA 23 CO 0.74 0.38 2.13 0.39 0.00 0.00 0.00 175.76 179.40 2dan n GLU 24 N -0.51 0.33 -3.18 0.00 1.02 -1.26 0.10 120.64 117.13 2dan n GLU 24 Ca -0.08 0.09 -0.27 0.00 -0.02 0.00 0.00 57.16 56.88 2dan n GLU 24 Cb 0.57 -1.78 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 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 6.25 3.58 0.00 0.62 0.00 -1.22 -4.47 121.76 126.53 2dan s ALA 25 Ca 1.16 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.49 2dan s ALA 25 Cb -1.31 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2dan s ALA 25 CO 0.62 0.03 0.00 0.43 0.00 0.00 0.00 175.76 176.84 2dan n SER 26 N -1.48 2.40 -4.32 0.00 7.64 -1.26 -4.27 113.62 112.34 2dan n SER 26 Ca -0.02 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.55 2dan n SER 26 Cb 0.55 0.18 -0.16 0.00 -1.01 0.00 0.00 64.21 63.77 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 -1.51 2.15 0.38 1.43 -0.14 -1.25 -5.05 119.74 115.75 2dan s LYS 27 Ca 0.00 -0.91 0.05 0.00 -1.36 0.00 0.00 55.97 53.76 2dan s LYS 27 Cb 0.00 -2.07 -0.00 0.00 -1.68 0.00 0.00 37.83 34.07 2dan s LYS 27 CO 0.00 0.56 0.54 1.03 -0.76 0.00 0.00 175.35 176.72 2dan s ARG 28 N -0.61 3.03 -0.24 1.68 0.52 -1.26 -2.41 118.95 119.65 2dan s ARG 28 Ca 0.10 -0.94 -0.34 0.00 -0.52 0.00 0.00 55.73 54.03 2dan s ARG 28 Cb -0.10 -2.75 -0.11 0.00 0.52 0.00 0.00 34.95 32.51 2dan s ARG 28 CO -0.01 -0.09 2.08 0.00 0.02 0.00 0.00 175.30 177.30 2dan n SER 30 N 8.95 0.00 -0.08 0.00 2.88 -1.26 0.26 113.62 124.36 2dan n SER 30 Ca 0.33 -0.41 -0.22 0.00 -1.33 0.00 0.00 58.87 57.23 2dan n SER 30 Cb 0.28 -0.04 -0.12 0.00 -0.75 0.00 0.00 64.21 63.59 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 -1.04 0.61 0.00 -1.46 1.74 -1.26 -4.74 116.66 110.52 2dan n ARG 31 Ca 0.11 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 2dan n ARG 31 Cb 0.06 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 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 -1.14 -2.41 -0.08 0.00 3.00 0.71 -4.77 117.38 112.70 2dan n GLN 33 Ca 0.00 0.88 0.03 0.00 -0.01 0.00 0.00 57.00 57.91 2dan n GLN 33 Cb 0.05 -5.46 0.07 0.00 0.00 0.00 0.00 30.24 24.90 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 -1.74 2.28 -4.20 1.08 3.02 -1.26 -4.81 115.26 109.64 2dan n ASN 34 Ca -0.19 -1.79 -0.12 0.00 -0.03 0.00 0.00 54.58 52.46 2dan n ASN 34 Cb 0.65 -0.10 -0.10 0.00 -0.61 0.00 0.00 39.78 39.62 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 -0.87 1.03 0.14 3.52 2.56 -1.26 -5.01 118.70 118.81 2dan s GLU 35 Ca 0.12 -1.50 0.10 0.00 0.00 0.00 0.00 54.97 53.70 2dan s GLU 35 Cb 0.07 0.02 -0.04 0.00 2.00 0.00 0.00 34.13 36.18 2dan s GLU 35 CO 0.09 -0.22 -0.24 -1.58 -0.56 0.00 0.00 175.26 172.76 2dan s TRP 36 N -3.88 2.12 -0.24 5.30 0.52 -1.26 -1.75 118.94 119.75 2dan s TRP 36 Ca 0.25 -0.39 -0.11 0.00 0.02 0.00 0.00 56.10 55.87 2dan s TRP 36 Cb 0.07 -1.12 0.09 0.00 -1.15 0.00 0.00 33.47 31.36 2dan s TRP 36 CO 0.03 0.34 0.55 0.71 0.02 0.00 0.00 176.95 178.61 2dan s TYR 37 N -1.34 -0.98 0.31 -1.98 2.02 -1.01 -2.50 117.35 111.87 2dan s TYR 37 Ca 0.14 1.86 0.01 0.00 -0.37 0.00 0.00 57.07 58.71 2dan s TYR 37 Cb -0.09 0.53 0.52 0.00 -0.40 0.00 0.00 41.96 42.51 2dan s TYR 37 CO 0.07 -0.52 1.92 0.00 -1.57 0.00 0.00 175.55 175.45 2dan h ARG 40 N 3.18 0.30 -0.60 0.00 9.65 -1.99 -2.84 114.38 122.09 2dan h ARG 40 Ca -0.34 -0.02 0.11 0.00 -1.10 0.00 0.00 59.98 58.63 2dan h ARG 40 Cb 1.15 -0.07 -0.12 0.00 -1.39 0.00 0.00 29.97 29.55 2dan h ARG 40 CO 0.64 0.20 -0.31 1.49 2.80 0.00 0.00 179.97 184.80 2dan h GLU 41 N 0.31 -0.13 -0.31 0.20 4.81 -1.99 -0.35 114.58 117.12 2dan h GLU 41 Ca 0.11 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.41 2dan h GLU 41 Cb 0.01 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 2dan h GLU 41 CO -0.06 -0.09 -0.11 0.00 -0.73 0.00 0.00 179.01 178.03 2dan n GLN 43 N -5.29 0.10 -0.10 0.00 7.27 -0.20 -1.01 117.38 118.14 2dan n GLN 43 Ca 0.00 0.58 -0.14 0.00 0.07 0.00 0.00 57.00 57.51 2dan n GLN 43 Cb 0.21 -1.91 -0.14 0.00 2.41 0.00 0.00 30.24 30.80 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 -2.03 1.46 -0.03 1.69 0.31 0.10 -3.73 118.33 116.10 2dan n VAL 44 Ca -0.01 -0.73 -0.13 0.00 -0.01 0.00 0.00 64.34 63.46 2dan n VAL 44 Cb 0.11 -0.95 -0.09 0.00 -0.91 0.00 0.00 33.84 32.00 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 0.12 0.00 5.55 1.57 0.85 -3.00 116.57 121.67 2dan h LYS 45 Ca -0.54 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 2dan h LYS 45 Cb 2.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.40 2dan h LYS 45 CO -0.01 0.60 0.00 1.58 -0.57 0.00 0.00 179.45 181.05 2dan n HIS 46 N -4.74 0.14 -0.28 -1.35 -0.00 -0.43 -3.90 115.22 104.66 2dan n HIS 46 Ca -0.08 0.05 -0.10 0.00 0.46 0.00 0.00 57.72 58.06 2dan n HIS 46 Cb 0.30 -0.58 -0.08 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 -1.50 -1.53 1.57 2.91 -1.61 0.86 115.95 116.65 2dan h TRP 47 Ca 0.00 0.10 0.45 0.00 1.13 0.00 0.00 58.89 60.57 2dan h TRP 47 Cb 0.36 0.74 -0.07 0.00 -0.51 0.00 0.00 29.16 29.68 2dan h TRP 47 CO 0.00 -0.33 1.09 -1.91 -1.03 0.00 0.00 178.44 176.26 2dan n GLU 48 N -4.83 -0.00 -0.09 2.65 2.13 -1.25 0.19 120.64 119.43 2dan n GLU 48 Ca 0.00 0.90 -0.16 0.00 0.66 0.00 0.00 57.16 58.56 2dan n GLU 48 Cb 0.23 -2.02 -0.14 0.00 0.27 0.00 0.00 31.44 29.78 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 -3.67 0.68 0.13 5.31 5.02 0.25 -4.52 118.16 121.36 2dan n LYS 49 Ca 0.36 0.13 -0.11 0.00 -2.02 0.00 0.00 58.31 56.67 2dan n LYS 49 Cb 1.58 -1.57 -0.07 0.00 -0.02 0.00 0.00 35.03 34.96 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 -0.36 -0.87 2.13 2.76 0.68 -3.22 115.15 116.28 2dan h HIS 50 Ca -0.53 -0.01 0.31 0.00 -2.20 0.00 0.00 60.37 57.95 2dan h HIS 50 Cb 2.02 0.12 -0.10 0.00 1.55 0.00 0.00 27.41 31.00 2dan h HIS 50 CO 0.03 -0.01 0.54 0.41 -1.30 0.00 0.00 177.93 177.60 2dan n GLY 51 N 0.26 -0.55 0.42 5.26 0.00 0.25 0.34 105.19 111.17 2dan n GLY 51 Ca -0.08 0.52 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.44 -0.01 1.61 1.57 -1.75 -2.39 116.57 115.16 2dan h LYS 52 Ca 0.59 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 2dan h LYS 52 Cb 1.83 0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.24 2dan h LYS 52 CO -0.36 -0.29 -0.66 0.25 -0.57 0.00 0.00 179.45 177.81 2dan n THR 53 N -5.43 0.00 -0.77 -0.16 -2.24 0.15 -4.98 114.28 100.86 2dan n THR 53 Ca -0.03 -0.09 -0.34 0.00 -2.27 0.00 0.00 64.05 61.33 2dan n THR 53 Cb 0.36 0.83 0.13 0.00 -2.10 0.00 0.00 70.33 69.56 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 -0.60 -5.60 -4.61 0.00 3.41 -1.26 -4.86 113.62 100.10 2dan n SER 55 Ca 0.02 -0.37 -0.43 0.00 -0.26 0.00 0.00 58.87 57.83 2dan n SER 55 Cb 0.61 -4.52 -0.03 0.00 -0.26 0.00 0.00 64.21 60.01 2dan n SER 55 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dan s GLY 56 N -2.81 0.71 0.00 5.00 0.00 -1.18 -4.97 107.32 104.06 2dan s GLY 56 Ca 0.38 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.73 2dan s GLY 56 CO 0.47 3.56 0.00 -1.55 0.00 0.00 0.00 173.10 175.57 2dan n PRO 57 N 8.50 -0.53 -2.74 2.90 -0.04 -1.26 -4.94 135.00 136.89 2dan n PRO 57 Ca 0.26 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.30 2dan n PRO 57 Cb 0.45 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.89 2dan n PRO 57 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dan s SER 58 N -1.51 7.01 -0.04 3.54 0.01 -1.26 -4.95 113.70 116.50 2dan s SER 58 Ca 0.00 1.27 -0.22 0.00 1.31 0.00 0.00 55.95 58.30 2dan s SER 58 Cb 0.00 -2.51 -0.16 0.00 0.21 0.00 0.00 66.02 63.56 2dan s SER 58 CO 0.00 -0.62 0.98 0.28 0.41 0.00 0.00 173.24 174.29 2dan h SER 59 N 7.52 -0.21 0.00 2.44 0.02 -2.04 -3.57 113.55 117.71 2dan h SER 59 Ca -0.20 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 2dan h SER 59 Cb 1.07 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2dan h SER 59 CO 0.94 0.30 0.00 0.61 -1.14 0.00 0.00 176.83 177.54