#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9g h SER 2 N 0.00 -1.79 -4.18 1.61 0.02 -2.14 -3.40 113.55 103.66 2d9g h SER 2 Ca 0.00 0.26 -0.53 0.00 -0.84 0.00 0.00 61.79 60.68 2d9g h SER 2 Cb 0.00 0.78 0.15 0.00 0.14 0.00 0.00 62.40 63.46 2d9g h SER 2 CO 0.00 -0.34 0.38 -0.44 -1.14 0.00 0.00 176.83 175.29 2d9g s SER 3 N -5.19 4.31 0.00 3.07 0.01 -1.26 -4.98 113.70 109.66 2d9g s SER 3 Ca -0.14 2.29 0.00 0.00 1.31 0.00 0.00 55.95 59.41 2d9g s SER 3 Cb 0.11 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2d9g s SER 3 CO 0.63 -2.18 0.00 0.61 0.41 0.00 0.00 173.24 172.71 2d9g n GLY 4 N 0.23 -1.30 3.26 3.44 0.00 -1.26 -5.14 105.19 104.41 2d9g n GLY 4 Ca 0.13 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 2d9g n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9g s SER 5 N -4.00 3.16 0.08 1.61 0.01 -1.26 -5.13 113.70 108.17 2d9g s SER 5 Ca 0.00 -0.51 -0.04 0.00 1.31 0.00 0.00 55.95 56.70 2d9g s SER 5 Cb 0.00 -1.13 -0.05 0.00 0.21 0.00 0.00 66.02 65.05 2d9g s SER 5 CO 0.00 0.21 0.30 -0.44 0.41 0.00 0.00 173.24 173.72 2d9g s SER 6 N 0.07 6.46 -0.07 2.44 0.01 -1.26 -5.11 113.70 116.25 2d9g s SER 6 Ca -0.10 0.51 -0.11 0.00 1.31 0.00 0.00 55.95 57.55 2d9g s SER 6 Cb -0.16 -2.06 0.02 0.00 0.21 0.00 0.00 66.02 64.04 2d9g s SER 6 CO 0.06 0.14 0.28 -0.83 0.41 0.00 0.00 173.24 173.31 2d9g s GLY 7 N -2.22 -0.17 -0.24 3.44 0.00 -1.26 -5.14 107.32 101.74 2d9g s GLY 7 Ca 0.35 0.56 -0.00 0.00 0.00 0.00 0.00 44.72 45.63 2d9g s GLY 7 CO 0.23 0.41 -0.01 -0.35 0.00 0.00 0.00 173.10 173.38 2d9g s ASP 8 N -0.50 3.69 0.44 1.64 2.15 -1.26 -4.99 116.67 117.83 2d9g s ASP 8 Ca -0.06 -1.20 0.25 0.00 0.43 0.00 0.00 52.55 51.97 2d9g s ASP 8 Cb -0.04 -1.02 1.26 0.00 -0.30 0.00 0.00 42.92 42.83 2d9g s ASP 8 CO 0.02 -0.28 1.74 1.05 -0.17 0.00 0.00 175.17 177.53 2d9g h GLU 9 N 8.02 0.24 -4.67 4.34 4.11 -2.02 -3.14 114.58 121.47 2d9g h GLU 9 Ca -0.16 -0.01 -0.68 0.00 0.07 0.00 0.00 59.36 58.57 2d9g h GLU 9 Cb 1.07 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 2d9g h GLU 9 CO 0.41 0.16 2.69 0.41 0.07 0.00 0.00 179.01 182.75 2d9g n GLY 10 N -1.55 3.55 3.20 1.06 0.00 -1.26 -4.89 105.19 105.30 2d9g n GLY 10 Ca 0.28 -1.49 -0.15 0.00 0.00 0.00 0.00 46.02 44.66 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 4.02 1.15 -0.08 1.61 1.13 -1.19 -0.72 117.35 123.27 2d9g s TYR 11 Ca 0.51 -0.65 0.02 0.00 -1.41 0.00 0.00 57.07 55.54 2d9g s TYR 11 Cb 0.10 -0.62 0.01 0.00 -1.10 0.00 0.00 41.96 40.36 2d9g s TYR 11 CO -0.01 0.04 -0.13 1.67 -2.51 0.00 0.00 175.55 174.61 2d9g s TRP 12 N -2.47 1.61 -0.04 -3.49 1.48 -1.17 -4.87 118.94 109.99 2d9g s TRP 12 Ca 0.07 -0.66 -0.30 0.00 -1.06 0.00 0.00 56.10 54.16 2d9g s TRP 12 Cb -0.03 -1.19 -0.02 0.00 -1.16 0.00 0.00 33.47 31.07 2d9g s TRP 12 CO 0.01 -0.35 1.01 -0.51 -4.06 0.00 0.00 176.95 173.05 2d9g s ASP 13 N 0.81 7.30 0.77 -2.66 1.01 -1.26 -3.15 116.67 119.50 2d9g s ASP 13 Ca -0.11 1.63 -0.11 0.00 0.71 0.00 0.00 52.55 54.67 2d9g s ASP 13 Cb -0.15 -2.56 0.06 0.00 1.01 0.00 0.00 42.92 41.27 2d9g s ASP 13 CO 0.02 -0.35 1.08 0.00 0.21 0.00 0.00 175.17 176.13 2d9g n SER 15 N -3.44 3.66 0.37 0.00 2.88 -1.26 -3.69 113.62 112.14 2d9g n SER 15 Ca 0.08 -0.01 -0.15 0.00 -1.33 0.00 0.00 58.87 57.46 2d9g n SER 15 Cb 0.54 0.49 -0.07 0.00 -0.75 0.00 0.00 64.21 64.43 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 -0.19 2.46 2.07 -1.94 -3.33 116.25 115.31 2d9g h VAL 16 Ca -0.14 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2d9g h VAL 16 Cb 1.31 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2d9g h VAL 16 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2d9g n THR 18 N 0.69 -1.06 -3.29 0.00 -2.24 -1.24 -4.95 114.28 102.20 2d9g n THR 18 Ca 0.10 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.53 2d9g n THR 18 Cb 0.38 -2.41 -0.06 0.00 -2.10 0.00 0.00 70.33 66.14 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 3.59 -0.12 4.78 5.36 -1.26 -4.70 117.98 122.75 2d9g s PHE 19 Ca 0.14 1.13 -0.26 0.00 -0.96 0.00 0.00 56.93 56.98 2d9g s PHE 19 Cb -0.07 -2.43 -0.02 0.00 -0.34 0.00 0.00 43.02 40.17 2d9g s PHE 19 CO 0.17 0.38 0.87 0.50 -1.46 0.00 0.00 175.22 175.68 2d9g s ARG 20 N -2.06 4.38 0.37 10.12 3.52 -1.26 -1.80 118.95 132.21 2d9g s ARG 20 Ca 0.40 1.13 0.05 0.00 -0.13 0.00 0.00 55.73 57.18 2d9g s ARG 20 Cb -0.15 -3.53 -0.07 0.00 -1.56 0.00 0.00 34.95 29.64 2d9g s ARG 20 CO 0.20 -0.22 0.04 -0.80 -0.81 0.00 0.00 175.30 173.70 2d9g s ASN 21 N 1.06 3.09 0.06 -2.12 0.01 -1.19 -4.96 114.94 110.89 2d9g s ASN 21 Ca 0.42 -1.38 0.00 0.00 -0.71 0.00 0.00 52.86 51.19 2d9g s ASN 21 Cb -0.18 -0.23 -0.04 0.00 0.41 0.00 0.00 41.25 41.22 2d9g s ASN 21 CO 0.16 -0.54 0.21 -0.44 -1.51 0.00 0.00 177.10 174.99 2d9g s SER 22 N -3.59 6.34 0.24 -1.22 0.01 -1.26 -3.04 113.70 111.17 2d9g s SER 22 Ca 0.36 0.26 -0.06 0.00 1.31 0.00 0.00 55.95 57.82 2d9g s SER 22 Cb 0.09 -1.95 0.43 0.00 0.21 0.00 0.00 66.02 64.80 2d9g s SER 22 CO 0.17 0.17 1.67 0.00 0.41 0.00 0.00 173.24 175.65 2d9g h ALA 23 N 3.06 0.86 -0.27 1.44 0.00 -1.26 -1.93 119.26 121.16 2d9g h ALA 23 Ca -0.45 0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.69 2d9g h ALA 23 Cb 1.16 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 19.17 2d9g h ALA 23 CO 0.76 -0.37 -0.51 0.93 0.00 0.00 0.00 179.25 180.05 2d9g h GLU 24 N 0.20 -0.45 -6.20 0.00 5.08 -1.95 -3.39 114.58 107.86 2d9g h GLU 24 Ca 0.40 0.03 -0.62 0.00 -1.00 0.00 0.00 59.36 58.17 2d9g h GLU 24 Cb 0.69 0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.05 2d9g h GLU 24 CO -0.55 -0.30 1.18 0.00 -1.00 0.00 0.00 179.01 178.34 2d9g n ALA 25 N -3.03 0.98 -0.15 3.43 0.00 -0.72 -4.86 120.51 116.15 2d9g n ALA 25 Ca -0.04 0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.47 2d9g n ALA 25 Cb 0.36 -2.55 -0.01 0.00 0.00 0.00 0.00 19.45 17.26 2d9g n ALA 25 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2d9g h PHE 26 N 10.23 1.08 -0.54 0.00 3.04 -1.84 -3.45 116.94 125.47 2d9g h PHE 26 Ca -0.45 -0.26 -0.64 0.00 3.98 0.00 0.00 57.97 60.60 2d9g h PHE 26 Cb 1.28 -0.25 -0.10 0.00 2.56 0.00 0.00 35.95 39.43 2d9g h PHE 26 CO 0.90 1.06 -0.45 -1.59 -2.02 0.00 0.00 178.31 176.21 2d9g s LYS 27 N -4.69 2.21 0.74 1.11 -2.85 -1.26 -4.36 119.74 110.64 2d9g s LYS 27 Ca -0.12 -2.24 -0.11 0.00 -1.00 0.00 0.00 55.97 52.50 2d9g s LYS 27 Cb 0.12 -1.74 0.04 0.00 -2.06 0.00 0.00 37.83 34.19 2d9g s LYS 27 CO 0.86 -0.41 1.08 0.00 0.10 0.00 0.00 175.35 176.97 2d9g n MET 29 N -3.34 1.30 -0.05 0.00 0.00 -1.26 -3.47 117.12 110.30 2d9g n MET 29 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 57.70 57.72 2d9g n MET 29 Cb 0.54 -1.38 -0.01 0.00 0.00 0.00 0.00 33.22 32.37 2d9g n MET 29 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 175.97 177.95 2d9g h MET 30 N 0.00 0.00 0.00 0.03 1.85 -1.95 -3.39 114.93 111.47 2d9g h MET 30 Ca -0.30 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.79 2d9g h MET 30 Cb 1.60 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.63 2d9g h MET 30 CO 0.02 0.00 -0.45 0.00 -0.40 0.00 0.00 176.91 176.08 2d9g n ASP 32 N -2.23 -3.93 -4.54 0.00 8.00 -1.23 -4.97 116.55 107.64 2d9g n ASP 32 Ca 0.04 -0.79 -0.31 0.00 0.71 0.00 0.00 54.79 54.43 2d9g n ASP 32 Cb 0.45 -3.90 -0.11 0.00 -0.02 0.00 0.00 41.12 37.54 2d9g n ASP 32 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2d9g s VAL 33 N -3.40 3.31 0.61 2.53 1.01 -1.26 -4.78 120.40 118.42 2d9g s VAL 33 Ca 0.51 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 2d9g s VAL 33 Cb -0.26 -2.44 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 2d9g s VAL 33 CO 0.83 0.33 0.71 -2.11 0.00 0.00 0.00 175.10 174.86 2d9g n ARG 34 N 1.42 0.62 -0.05 2.72 1.85 -1.26 -2.71 116.66 119.25 2d9g n ARG 34 Ca -0.15 0.25 -0.06 0.00 -1.00 0.00 0.00 57.85 56.88 2d9g n ARG 34 Cb 0.52 -1.92 -0.07 0.00 -1.05 0.00 0.00 32.46 29.94 2d9g n ARG 34 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2d9g n LYS 35 N -0.62 1.70 0.00 2.89 2.85 -1.26 -4.87 118.16 118.85 2d9g n LYS 35 Ca 0.12 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 2d9g n LYS 35 Cb 0.48 -1.25 0.00 0.00 -0.65 0.00 0.00 35.03 33.61 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 2.58 1.86 0.32 2.58 0.00 -1.26 -5.00 105.19 106.27 2d9g n GLY 36 Ca -0.18 -0.08 0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.16 -1.00 2.61 2.02 -1.97 -3.41 112.91 111.32 2d9g h THR 37 Ca 0.00 -0.03 -0.62 0.00 0.77 0.00 0.00 66.41 66.53 2d9g h THR 37 Cb 0.00 0.05 -0.10 0.00 -1.74 0.00 0.00 68.15 66.36 2d9g h THR 37 CO 0.00 0.02 -0.48 -0.44 0.37 0.00 0.00 175.52 174.98 2d9g s SER 38 N -4.98 4.27 0.13 4.18 0.01 -1.26 -5.16 113.70 110.89 2d9g s SER 38 Ca -0.12 -1.36 0.08 0.00 1.31 0.00 0.00 55.95 55.86 2d9g s SER 38 Cb 0.28 0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.52 2d9g s SER 38 CO 0.78 -0.74 -0.18 0.42 0.41 0.00 0.00 173.24 173.93 2d9g s THR 39 N -2.75 1.67 0.21 1.44 -4.23 -1.26 -5.04 115.64 105.68 2d9g s THR 39 Ca 0.27 -1.75 -0.16 0.00 -1.18 0.00 0.00 61.69 58.88 2d9g s THR 39 Cb 0.03 -1.67 0.21 0.00 1.34 0.00 0.00 72.50 72.41 2d9g s THR 39 CO 0.15 -0.25 1.38 -1.14 -0.54 0.00 0.00 174.62 174.22 2d9g n ARG 40 N 0.61 -0.21 -2.97 3.99 0.63 -1.26 -3.66 116.66 113.79 2d9g n ARG 40 Ca -0.16 1.37 -0.43 0.00 -0.92 0.00 0.00 57.85 57.71 2d9g n ARG 40 Cb 0.56 -2.04 -0.05 0.00 0.45 0.00 0.00 32.46 31.38 2d9g n ARG 40 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2d9g s LYS 41 N -5.84 3.37 0.11 -0.14 2.20 -1.26 -4.90 119.74 113.27 2d9g s LYS 41 Ca -0.12 -0.18 0.18 0.00 -0.36 0.00 0.00 55.97 55.48 2d9g s LYS 41 Cb 0.18 -3.96 0.76 0.00 -1.51 0.00 0.00 37.83 33.30 2d9g s LYS 41 CO 0.64 -1.15 1.56 -0.35 -0.36 0.00 0.00 175.35 175.69 2d9g n PRO 42 N 6.72 0.08 -2.11 4.03 -0.04 -1.24 -4.77 135.00 137.67 2d9g n PRO 42 Ca 0.01 0.32 -0.30 0.00 -0.04 0.00 0.00 63.50 63.50 2d9g n PRO 42 Cb 0.48 -1.65 0.02 0.00 -0.04 0.00 0.00 33.50 32.30 2d9g n PRO 42 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2d9g s ARG 43 N -3.13 3.38 0.66 0.54 3.00 -1.26 -5.05 118.95 117.08 2d9g s ARG 43 Ca 0.06 0.49 -0.15 0.00 0.00 0.00 0.00 55.73 56.12 2d9g s ARG 43 Cb 0.09 -2.16 -0.00 0.00 0.00 0.00 0.00 34.95 32.88 2d9g s ARG 43 CO 0.31 -0.59 1.11 -1.25 0.00 0.00 0.00 175.30 174.89 2d9g s PRO 44 N -5.09 2.81 -0.05 3.54 0.04 -1.26 -4.98 135.00 130.00 2d9g s PRO 44 Ca 0.54 1.39 0.07 0.00 0.04 0.00 0.00 61.00 63.04 2d9g s PRO 44 Cb -0.11 -1.95 -0.24 0.00 0.04 0.00 0.00 34.50 32.24 2d9g s PRO 44 CO 0.51 -1.24 0.62 -0.39 0.04 0.00 0.00 177.00 176.54 2d9g h VAL 45 N 0.05 0.84 -2.16 -0.36 -1.51 -1.96 -3.49 116.25 107.66 2d9g h VAL 45 Ca -0.47 -2.65 0.12 0.00 -1.23 0.00 0.00 66.70 62.47 2d9g h VAL 45 Cb 1.25 2.47 -0.16 0.00 -2.13 0.00 0.00 31.29 32.71 2d9g h VAL 45 CO 0.54 0.61 0.52 -0.55 -1.23 0.00 0.00 177.57 177.46 2d9g s SER 46 N -6.37 -0.35 0.29 4.19 0.15 -1.26 -5.14 113.70 105.20 2d9g s SER 46 Ca -0.09 0.04 -0.29 0.00 0.70 0.00 0.00 55.95 56.31 2d9g s SER 46 Cb 0.08 0.36 -0.13 0.00 -1.71 0.00 0.00 66.02 64.62 2d9g s SER 46 CO 0.81 -0.57 1.28 1.67 1.20 0.00 0.00 173.24 177.64 2d9g n GLN 47 N -0.13 1.92 -3.35 5.44 0.00 -1.26 -4.95 117.38 115.05 2d9g n GLN 47 Ca -0.08 0.68 -0.38 0.00 -0.00 0.00 0.00 57.00 57.21 2d9g n GLN 47 Cb 0.61 -2.25 -0.07 0.00 0.00 0.00 0.00 30.24 28.53 2d9g n GLN 47 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2d9g s SER 48 N -0.11 6.52 0.20 1.69 0.01 -1.26 -5.08 113.70 115.66 2d9g s SER 48 Ca 0.61 0.61 0.07 0.00 1.31 0.00 0.00 55.95 58.56 2d9g s SER 48 Cb -0.63 -2.25 -0.04 0.00 0.21 0.00 0.00 66.02 63.30 2d9g s SER 48 CO 0.57 -0.07 0.07 -0.83 0.41 0.00 0.00 173.24 173.39 2d9g s GLY 49 N 0.94 1.66 -0.61 3.44 0.00 -1.26 -5.05 107.32 106.44 2d9g s GLY 49 Ca 0.21 -1.37 -0.27 0.00 0.00 0.00 0.00 44.72 43.30 2d9g s GLY 49 CO 0.08 -1.39 1.86 2.56 0.00 0.00 0.00 173.10 176.22 2d9g s PRO 50 N -3.23 2.63 -0.16 2.90 0.04 -1.26 -4.97 135.00 130.95 2d9g s PRO 50 Ca 0.30 0.61 -0.03 0.00 0.04 0.00 0.00 61.00 61.92 2d9g s PRO 50 Cb -0.09 -4.39 -0.02 0.00 0.04 0.00 0.00 34.50 30.04 2d9g s PRO 50 CO 0.21 -2.73 -0.06 0.45 0.04 0.00 0.00 177.00 174.92 2d9g s SER 51 N 8.09 4.55 -0.08 6.66 0.15 -1.26 -5.02 113.70 126.79 2d9g s SER 51 Ca 0.67 -0.22 -0.19 0.00 0.70 0.00 0.00 55.95 56.92 2d9g s SER 51 Cb -0.13 -1.74 -0.15 0.00 -1.71 0.00 0.00 66.02 62.29 2d9g s SER 51 CO 0.21 0.13 0.68 0.28 1.20 0.00 0.00 173.24 175.74 2d9g h SER 52 N 6.95 -0.11 0.00 5.45 0.02 -2.08 -3.57 113.55 120.21 2d9g h SER 52 Ca -0.31 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 2d9g h SER 52 Cb 1.19 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2d9g h SER 52 CO 0.61 0.53 0.00 0.61 -1.14 0.00 0.00 176.83 177.43