#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9g n SER 2 N 0.00 -0.38 -4.92 1.61 3.41 -1.26 -4.29 113.62 107.78 2d9g n SER 2 Ca 0.00 1.27 -0.27 0.00 -0.26 0.00 0.00 58.87 59.61 2d9g n SER 2 Cb 0.00 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.59 2d9g n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2d9g s SER 3 N -5.23 6.39 0.00 4.04 0.01 -1.26 -5.08 113.70 112.57 2d9g s SER 3 Ca -0.11 0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.65 2d9g s SER 3 Cb 0.17 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.35 2d9g s SER 3 CO 0.55 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.68 2d9g n GLY 4 N -0.92 -0.94 3.83 3.44 0.00 -1.26 -5.06 105.19 104.28 2d9g n GLY 4 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 2d9g n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d9g s SER 5 N -1.65 -0.17 0.10 1.61 0.15 -1.26 -4.80 113.70 107.67 2d9g s SER 5 Ca 0.00 -0.78 0.07 0.00 0.70 0.00 0.00 55.95 55.94 2d9g s SER 5 Cb 0.00 0.76 -0.03 0.00 -1.71 0.00 0.00 66.02 65.03 2d9g s SER 5 CO 0.00 -1.43 -0.19 -0.94 1.20 0.00 0.00 173.24 171.88 2d9g s SER 6 N -2.97 2.31 0.00 5.45 1.04 -1.26 -4.60 113.70 113.67 2d9g s SER 6 Ca 0.13 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2d9g s SER 6 Cb -0.05 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.95 2d9g s SER 6 CO 0.08 0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.93 2d9g n GLY 7 N 1.09 2.67 0.05 7.32 0.00 -1.26 -4.71 105.19 110.35 2d9g n GLY 7 Ca -0.20 -0.63 -0.01 0.00 0.00 0.00 0.00 46.02 45.19 2d9g n GLY 7 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2d9g h ASP 8 N 0.00 0.00 -3.55 1.61 1.82 -2.05 -3.44 116.42 110.81 2d9g h ASP 8 Ca 0.00 0.00 -0.70 0.00 -0.39 0.00 0.00 57.03 55.94 2d9g h ASP 8 Cb 0.00 0.00 -0.31 0.00 0.68 0.00 0.00 39.33 39.70 2d9g h ASP 8 CO 0.00 0.52 -0.55 -0.70 -1.61 0.00 0.00 179.24 176.89 2d9g s GLU 9 N -1.65 2.41 0.00 0.28 2.56 -1.26 -4.88 118.70 116.16 2d9g s GLU 9 Ca -0.03 -1.48 0.00 0.00 0.00 0.00 0.00 54.97 53.46 2d9g s GLU 9 Cb 0.00 -3.57 0.00 0.00 2.00 0.00 0.00 34.13 32.57 2d9g s GLU 9 CO 0.04 -0.88 0.00 0.41 -0.56 0.00 0.00 175.26 174.27 2d9g n GLY 10 N 4.76 -1.79 3.45 -1.50 0.00 -1.26 -4.44 105.19 104.41 2d9g n GLY 10 Ca -0.09 0.74 -0.14 0.00 0.00 0.00 0.00 46.02 46.53 2d9g n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2d9g s TYR 11 N 0.00 -0.59 -0.14 1.61 -0.85 -1.26 -2.99 117.35 113.13 2d9g s TYR 11 Ca 0.00 1.37 -0.03 0.00 -0.52 0.00 0.00 57.07 57.88 2d9g s TYR 11 Cb 0.00 0.22 -0.03 0.00 0.38 0.00 0.00 41.96 42.53 2d9g s TYR 11 CO 0.00 -0.34 -0.04 1.67 -1.52 0.00 0.00 175.55 175.33 2d9g s TRP 12 N 0.01 3.03 -0.09 -3.49 1.48 -1.23 -4.96 118.94 113.70 2d9g s TRP 12 Ca -0.02 -0.23 -0.24 0.00 -1.06 0.00 0.00 56.10 54.56 2d9g s TRP 12 Cb -0.04 -1.92 -0.03 0.00 -1.16 0.00 0.00 33.47 30.32 2d9g s TRP 12 CO 0.02 0.04 0.72 -0.51 -4.06 0.00 0.00 176.95 173.16 2d9g s ASP 13 N 0.16 6.97 0.80 -2.66 1.11 -1.26 -2.88 116.67 118.91 2d9g s ASP 13 Ca -0.01 1.18 -0.11 0.00 0.18 0.00 0.00 52.55 53.78 2d9g s ASP 13 Cb -0.14 -2.42 0.07 0.00 1.07 0.00 0.00 42.92 41.51 2d9g s ASP 13 CO 0.03 -0.16 1.09 0.00 1.18 0.00 0.00 175.17 177.30 2d9g n SER 15 N -3.54 3.47 0.32 0.00 2.88 -1.26 -3.65 113.62 111.84 2d9g n SER 15 Ca 0.08 -0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.49 2d9g n SER 15 Cb 0.54 0.62 -0.06 0.00 -0.75 0.00 0.00 64.21 64.56 2d9g n SER 15 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2d9g h VAL 16 N 0.00 0.00 -0.15 2.46 2.07 -1.97 -3.34 116.25 115.32 2d9g h VAL 16 Ca -0.17 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2d9g h VAL 16 Cb 1.38 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2d9g h VAL 16 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 2d9g n THR 18 N 0.97 -1.04 -3.48 0.00 -2.24 -1.24 -4.95 114.28 102.31 2d9g n THR 18 Ca 0.12 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.52 2d9g n THR 18 Cb 0.45 -2.41 -0.06 0.00 -2.10 0.00 0.00 70.33 66.20 2d9g n THR 18 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2d9g s PHE 19 N -2.89 3.72 -0.00 4.78 2.19 -1.26 -4.72 117.98 119.80 2d9g s PHE 19 Ca 0.13 1.00 -0.28 0.00 0.33 0.00 0.00 56.93 58.10 2d9g s PHE 19 Cb -0.06 -2.32 -0.03 0.00 -1.31 0.00 0.00 43.02 39.30 2d9g s PHE 19 CO 0.16 0.61 0.91 0.50 1.83 0.00 0.00 175.22 179.23 2d9g s ARG 20 N -0.96 4.54 0.47 10.12 3.00 -1.26 -1.77 118.95 133.09 2d9g s ARG 20 Ca 0.24 1.30 0.02 0.00 -1.00 0.00 0.00 55.73 56.30 2d9g s ARG 20 Cb -0.17 -3.45 -0.02 0.00 0.00 0.00 0.00 34.95 31.31 2d9g s ARG 20 CO 0.13 0.01 0.05 -0.80 0.00 0.00 0.00 175.30 174.69 2d9g s ASN 21 N 0.85 3.60 0.25 -2.12 0.01 -1.14 -4.94 114.94 111.45 2d9g s ASN 21 Ca 0.48 -1.65 0.04 0.00 -0.71 0.00 0.00 52.86 51.03 2d9g s ASN 21 Cb -0.21 0.46 -0.03 0.00 0.41 0.00 0.00 41.25 41.89 2d9g s ASN 21 CO 0.26 -0.86 0.38 -0.94 -1.51 0.00 0.00 177.10 174.43 2d9g s SER 22 N -3.76 6.32 0.20 -1.22 1.04 -1.26 -3.52 113.70 111.49 2d9g s SER 22 Ca 0.14 0.13 -0.09 0.00 0.48 0.00 0.00 55.95 56.62 2d9g s SER 22 Cb 0.02 -1.89 0.12 0.00 0.10 0.00 0.00 66.02 64.37 2d9g s SER 22 CO 0.08 -0.09 1.72 0.00 0.98 0.00 0.00 173.24 175.93 2d9g h ALA 23 N 1.18 0.94 -0.68 5.32 0.00 -1.91 -2.90 119.26 121.21 2d9g h ALA 23 Ca -0.51 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.25 2d9g h ALA 23 Cb 1.23 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 2d9g h ALA 23 CO 0.62 0.64 0.34 0.93 0.00 0.00 0.00 179.25 181.78 2d9g h GLU 24 N 1.07 0.57 -6.54 0.00 4.39 -1.95 -3.41 114.58 108.71 2d9g h GLU 24 Ca 0.23 -0.03 -0.53 0.00 0.34 0.00 0.00 59.36 59.37 2d9g h GLU 24 Cb 0.34 -0.13 0.03 0.00 -0.10 0.00 0.00 28.75 28.89 2d9g h GLU 24 CO -0.00 0.38 0.91 0.00 -1.16 0.00 0.00 179.01 179.14 2d9g s ALA 25 N -6.07 3.73 0.10 3.43 0.00 -1.10 -4.91 121.76 116.94 2d9g s ALA 25 Ca -0.13 1.29 -0.06 0.00 0.00 0.00 0.00 51.96 53.06 2d9g s ALA 25 Cb 0.17 -3.64 -0.17 0.00 0.00 0.00 0.00 23.12 19.48 2d9g s ALA 25 CO 0.76 -0.89 1.24 0.27 0.00 0.00 0.00 175.76 177.13 2d9g h PHE 26 N 7.38 0.67 -1.34 0.00 -0.00 -1.85 -3.46 116.94 118.35 2d9g h PHE 26 Ca -0.42 -0.40 -0.63 0.00 -0.00 0.00 0.00 57.97 56.51 2d9g h PHE 26 Cb 1.20 -0.06 -0.13 0.00 -0.00 0.00 0.00 35.95 36.96 2d9g h PHE 26 CO 0.70 1.24 -0.57 -1.59 -0.00 0.00 0.00 178.31 178.09 2d9g s LYS 27 N -3.10 2.02 1.05 6.09 -2.85 -1.26 -4.37 119.74 117.31 2d9g s LYS 27 Ca -0.06 -2.20 -0.12 0.00 -1.00 0.00 0.00 55.97 52.59 2d9g s LYS 27 Cb 0.08 -1.52 0.22 0.00 -2.06 0.00 0.00 37.83 34.54 2d9g s LYS 27 CO 0.88 -0.17 1.07 0.00 0.10 0.00 0.00 175.35 177.23 2d9g n MET 29 N -4.49 1.29 0.00 0.00 1.56 -1.26 -3.66 117.12 110.56 2d9g n MET 29 Ca 0.05 0.04 -0.01 0.00 -0.27 0.00 0.00 57.70 57.51 2d9g n MET 29 Cb 0.55 -1.32 -0.00 0.00 2.15 0.00 0.00 33.22 34.59 2d9g n MET 29 CO 0.00 0.00 0.00 1.98 -0.73 0.00 0.00 175.97 177.22 2d9g h MET 30 N 0.00 -0.04 0.00 2.12 1.85 -1.95 -3.38 114.93 113.53 2d9g h MET 30 Ca -0.35 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.74 2d9g h MET 30 Cb 1.68 0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.72 2d9g h MET 30 CO -0.01 -0.03 -0.62 0.00 -0.40 0.00 0.00 176.91 175.85 2d9g n ASP 32 N -1.77 -3.81 -4.75 0.00 5.75 -1.24 -4.93 116.55 105.81 2d9g n ASP 32 Ca 0.04 -0.85 -0.38 0.00 -0.01 0.00 0.00 54.79 53.59 2d9g n ASP 32 Cb 0.38 -3.61 -0.06 0.00 -1.03 0.00 0.00 41.12 36.81 2d9g n ASP 32 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2d9g s VAL 33 N -3.38 5.09 0.33 2.12 0.11 -1.26 -4.63 120.40 118.78 2d9g s VAL 33 Ca 0.57 1.02 -0.27 0.00 -2.93 0.00 0.00 61.98 60.37 2d9g s VAL 33 Cb -0.29 -3.84 -0.13 0.00 -1.53 0.00 0.00 36.38 30.59 2d9g s VAL 33 CO 0.85 0.38 1.08 -1.14 -3.33 0.00 0.00 175.10 172.95 2d9g n ARG 34 N 3.19 1.56 -0.05 1.54 0.63 -1.26 -3.26 116.66 119.01 2d9g n ARG 34 Ca -0.08 0.55 -0.07 0.00 -0.92 0.00 0.00 57.85 57.33 2d9g n ARG 34 Cb 0.52 -2.01 -0.06 0.00 0.45 0.00 0.00 32.46 31.35 2d9g n ARG 34 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 2d9g n LYS 35 N 0.56 0.96 -1.49 -0.14 2.85 -1.26 -4.96 118.16 114.68 2d9g n LYS 35 Ca 0.08 0.05 -0.47 0.00 -1.05 0.00 0.00 58.31 56.92 2d9g n LYS 35 Cb 0.35 -1.23 -0.06 0.00 -0.65 0.00 0.00 35.03 33.43 2d9g n LYS 35 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2d9g n GLY 36 N 2.80 0.50 0.44 2.58 0.00 -1.26 -4.85 105.19 105.40 2d9g n GLY 36 Ca -0.19 0.88 -0.15 0.00 0.00 0.00 0.00 46.02 46.56 2d9g n GLY 36 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2d9g h THR 37 N 7.25 0.00 -3.00 2.61 2.02 -2.01 -3.38 112.91 116.39 2d9g h THR 37 Ca -0.28 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.33 2d9g h THR 37 Cb 1.30 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.66 2d9g h THR 37 CO 1.05 0.00 0.89 -0.44 0.37 0.00 0.00 175.52 177.39 2d9g s SER 38 N -4.46 6.92 0.01 4.18 0.01 -1.26 -5.01 113.70 114.09 2d9g s SER 38 Ca -0.15 1.52 0.01 0.00 1.31 0.00 0.00 55.95 58.63 2d9g s SER 38 Cb 0.06 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 2d9g s SER 38 CO 0.55 -0.81 -0.03 -0.89 0.41 0.00 0.00 173.24 172.47 2d9g s THR 39 N 3.61 0.18 0.87 1.44 2.01 -1.26 -5.15 115.64 117.33 2d9g s THR 39 Ca 0.52 -0.52 -0.12 0.00 0.31 0.00 0.00 61.69 61.88 2d9g s THR 39 Cb -0.19 -0.24 0.09 0.00 0.01 0.00 0.00 72.50 72.17 2d9g s THR 39 CO 0.14 -0.22 0.98 -1.14 -0.69 0.00 0.00 174.62 173.69 2d9g n ARG 40 N 2.28 -0.13 -3.00 4.92 3.00 -1.26 -4.97 116.66 117.51 2d9g n ARG 40 Ca -0.18 0.03 -0.39 0.00 -0.00 0.00 0.00 57.85 57.31 2d9g n ARG 40 Cb 0.57 -2.26 -0.06 0.00 0.00 0.00 0.00 32.46 30.71 2d9g n ARG 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 2d9g s LYS 41 N -4.10 4.54 -1.09 -0.14 -2.85 -1.26 -4.97 119.74 109.87 2d9g s LYS 41 Ca 0.67 1.13 -0.23 0.00 -1.00 0.00 0.00 55.97 56.54 2d9g s LYS 41 Cb -0.26 -3.27 -0.07 0.00 -2.06 0.00 0.00 37.83 32.16 2d9g s LYS 41 CO 0.57 0.54 1.94 -1.25 0.10 0.00 0.00 175.35 177.25 2d9g s PRO 42 N -1.02 2.51 -0.14 1.78 0.04 -1.26 -4.86 135.00 132.05 2d9g s PRO 42 Ca 0.36 -0.89 -0.18 0.00 0.04 0.00 0.00 61.00 60.33 2d9g s PRO 42 Cb -0.23 -5.19 0.05 0.00 0.04 0.00 0.00 34.50 29.17 2d9g s PRO 42 CO 0.26 -3.79 0.47 1.03 0.04 0.00 0.00 177.00 175.01 2d9g s ARG 43 N 6.64 0.62 -0.36 4.56 0.52 -1.26 -5.12 118.95 124.55 2d9g s ARG 43 Ca 0.69 0.50 -0.28 0.00 -0.52 0.00 0.00 55.73 56.12 2d9g s ARG 43 Cb -0.03 0.30 -0.01 0.00 0.52 0.00 0.00 34.95 35.73 2d9g s ARG 43 CO 0.09 -0.11 1.71 -1.25 0.02 0.00 0.00 175.30 175.76 2d9g s PRO 44 N -0.11 3.37 -0.22 3.54 0.04 -1.26 -4.99 135.00 135.37 2d9g s PRO 44 Ca -0.03 1.28 -0.10 0.00 0.04 0.00 0.00 61.00 62.19 2d9g s PRO 44 Cb -0.03 -4.16 -0.05 0.00 0.04 0.00 0.00 34.50 30.29 2d9g s PRO 44 CO 0.02 -1.82 0.14 0.54 0.04 0.00 0.00 177.00 175.92 2d9g s VAL 45 N 6.61 5.37 -0.24 -0.36 0.11 -1.26 -5.07 120.40 125.56 2d9g s VAL 45 Ca 0.75 0.18 -0.23 0.00 -2.93 0.00 0.00 61.98 59.75 2d9g s VAL 45 Cb -0.20 -3.47 -0.01 0.00 -1.53 0.00 0.00 36.38 31.17 2d9g s VAL 45 CO 0.33 0.40 0.76 -0.94 -3.33 0.00 0.00 175.10 172.32 2d9g s SER 46 N 0.65 6.75 0.37 3.54 1.04 -1.26 -5.05 113.70 119.74 2d9g s SER 46 Ca 0.08 0.93 0.08 0.00 0.48 0.00 0.00 55.95 57.52 2d9g s SER 46 Cb -0.12 -2.40 -0.07 0.00 0.10 0.00 0.00 66.02 63.53 2d9g s SER 46 CO 0.01 -0.46 -0.05 0.00 0.98 0.00 0.00 173.24 173.72 2d9g s GLN 47 N 2.68 1.88 0.04 4.02 -2.07 -1.26 -5.08 119.66 119.87 2d9g s GLN 47 Ca 0.32 -2.01 -0.27 0.00 -1.82 0.00 0.00 55.36 51.58 2d9g s GLN 47 Cb -0.15 -1.68 -0.15 0.00 -1.09 0.00 0.00 33.01 29.94 2d9g s GLN 47 CO 0.08 0.06 1.33 1.03 -1.32 0.00 0.00 175.29 176.47 2d9g h SER 48 N 1.92 -0.82 0.00 12.60 0.87 -2.01 -3.50 113.55 122.61 2d9g h SER 48 Ca -0.43 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2d9g h SER 48 Cb 1.25 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.42 2d9g h SER 48 CO 0.75 -0.56 0.00 0.61 -0.53 0.00 0.00 176.83 177.10 2d9g n GLY 49 N -1.28 0.49 0.38 5.77 0.00 -1.26 -4.90 105.19 104.39 2d9g n GLY 49 Ca -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2d9g n GLY 49 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d9g n PRO 50 N 0.00 0.49 -1.38 1.61 -0.04 -1.26 -4.86 135.00 129.55 2d9g n PRO 50 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 2d9g n PRO 50 Cb 0.00 -1.19 0.07 0.00 -0.04 0.00 0.00 33.50 32.34 2d9g n PRO 50 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2d9g n SER 51 N 0.08 -0.32 -4.35 3.54 7.64 -1.26 -5.02 113.62 113.92 2d9g n SER 51 Ca 0.00 0.67 -0.18 0.00 1.01 0.00 0.00 58.87 60.37 2d9g n SER 51 Cb 0.09 -1.30 -0.10 0.00 -1.01 0.00 0.00 64.21 61.89 2d9g n SER 51 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d9g s SER 52 N -1.45 1.95 0.00 6.43 0.15 -1.26 -5.15 113.70 114.37 2d9g s SER 52 Ca 0.70 -1.24 0.00 0.00 0.70 0.00 0.00 55.95 56.11 2d9g s SER 52 Cb -0.37 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 2d9g s SER 52 CO 0.53 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 175.06