#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9g s SER 2 N 0.00 5.90 -0.08 1.61 0.01 -1.26 -4.85 113.70 115.03 2d9g s SER 2 Ca 0.00 0.12 -0.25 0.00 1.31 0.00 0.00 55.95 57.13 2d9g s SER 2 Cb 0.00 -2.54 -0.26 0.00 0.21 0.00 0.00 66.02 63.42 2d9g s SER 2 CO 0.00 -1.93 0.92 -1.28 0.41 0.00 0.00 173.24 171.37 2d9g h SER 3 N 11.88 0.22 -2.09 2.44 0.87 -2.15 -3.44 113.55 121.29 2d9g h SER 3 Ca -0.27 -0.88 -0.57 0.00 -1.23 0.00 0.00 61.79 58.83 2d9g h SER 3 Cb 1.10 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 63.00 2d9g h SER 3 CO 1.21 1.08 1.43 0.61 -0.53 0.00 0.00 176.83 180.63 2d9g n GLY 4 N 1.36 1.26 3.58 5.77 0.00 -1.26 -4.95 105.19 110.95 2d9g n GLY 4 Ca -0.11 0.79 -0.29 0.00 0.00 0.00 0.00 46.02 46.41 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 7.27 1.91 0.32 1.61 0.15 -1.26 -5.06 113.70 118.64 2d9g s SER 5 Ca 0.98 1.74 -0.06 0.00 0.70 0.00 0.00 55.95 59.30 2d9g s SER 5 Cb -0.36 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 2d9g s SER 5 CO 0.37 -3.66 0.49 -0.44 1.20 0.00 0.00 173.24 171.20 2d9g s SER 6 N -2.68 0.55 0.00 5.45 0.01 -1.26 -5.09 113.70 110.68 2d9g s SER 6 Ca 0.67 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 56.62 2d9g s SER 6 Cb -0.23 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.65 2d9g s SER 6 CO 0.61 -1.28 0.00 0.61 0.41 0.00 0.00 173.24 173.60 2d9g n GLY 7 N -0.50 -0.36 0.09 3.44 0.00 -1.26 -5.07 105.19 101.52 2d9g n GLY 7 Ca -0.01 0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 2d9g n GLY 7 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2d9g n ASP 8 N 0.00 2.37 -4.54 1.61 5.68 -1.26 -5.01 116.55 115.40 2d9g n ASP 8 Ca 0.00 -0.08 -0.35 0.00 -0.50 0.00 0.00 54.79 53.87 2d9g n ASP 8 Cb 0.00 -0.03 0.09 0.00 -1.14 0.00 0.00 41.12 40.04 2d9g n ASP 8 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2d9g n GLU 9 N -2.91 0.23 0.00 0.11 0.28 -1.26 -4.79 120.64 112.30 2d9g n GLU 9 Ca -0.30 0.13 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 2d9g n GLU 9 Cb 0.86 -2.05 0.00 0.00 1.43 0.00 0.00 31.44 31.69 2d9g n GLU 9 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2d9g n GLY 10 N 1.27 0.34 3.33 -1.84 0.00 -1.26 -5.11 105.19 101.92 2d9g n GLY 10 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.21 -0.27 -0.09 1.61 1.13 -1.26 -2.45 117.35 115.80 2d9g s TYR 11 Ca 0.00 0.11 0.01 0.00 -1.41 0.00 0.00 57.07 55.77 2d9g s TYR 11 Cb 0.00 0.27 0.02 0.00 -1.10 0.00 0.00 41.96 41.15 2d9g s TYR 11 CO 0.00 -0.65 -0.08 1.67 -2.51 0.00 0.00 175.55 173.97 2d9g s TRP 12 N -3.14 1.36 -0.22 -3.49 1.48 -0.96 -4.83 118.94 109.15 2d9g s TRP 12 Ca -0.01 -0.59 -0.28 0.00 -1.06 0.00 0.00 56.10 54.16 2d9g s TRP 12 Cb 0.00 -1.10 0.00 0.00 -1.16 0.00 0.00 33.47 31.22 2d9g s TRP 12 CO -0.07 -0.39 0.99 0.16 -4.06 0.00 0.00 176.95 173.57 2d9g s ASP 13 N 1.29 7.06 1.04 -2.66 -4.77 -1.26 -1.50 116.67 115.88 2d9g s ASP 13 Ca -0.03 1.33 -0.12 0.00 -3.30 0.00 0.00 52.55 50.43 2d9g s ASP 13 Cb -0.14 -2.52 0.19 0.00 -1.09 0.00 0.00 42.92 39.37 2d9g s ASP 13 CO -0.03 -0.61 0.94 0.00 0.70 0.00 0.00 175.17 176.17 2d9g n SER 15 N -4.09 3.33 0.26 0.00 2.88 -1.26 -3.72 113.62 111.02 2d9g n SER 15 Ca 0.07 -0.02 -0.11 0.00 -1.33 0.00 0.00 58.87 57.49 2d9g n SER 15 Cb 0.54 0.38 -0.05 0.00 -0.75 0.00 0.00 64.21 64.33 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 -0.33 2.46 2.07 -1.98 -3.32 116.25 115.15 2d9g h VAL 16 Ca -0.19 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.03 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 -0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2d9g n THR 18 N 1.43 -0.62 -3.33 0.00 5.66 -1.24 -4.91 114.28 111.27 2d9g n THR 18 Ca 0.18 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.80 2d9g n THR 18 Cb 0.59 -1.46 -0.06 0.00 -1.55 0.00 0.00 70.33 67.85 2d9g n THR 18 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2d9g s PHE 19 N -2.63 3.46 -0.01 1.09 5.36 -1.26 -4.71 117.98 119.28 2d9g s PHE 19 Ca 0.16 0.80 -0.31 0.00 -0.96 0.00 0.00 56.93 56.62 2d9g s PHE 19 Cb -0.08 -2.56 -0.09 0.00 -0.34 0.00 0.00 43.02 39.95 2d9g s PHE 19 CO 0.19 0.09 1.98 -2.13 -1.46 0.00 0.00 175.22 173.89 2d9g n ARG 20 N 4.01 2.68 -3.98 10.12 0.63 -1.26 -2.13 116.66 126.74 2d9g n ARG 20 Ca -0.07 0.97 -0.22 0.00 -0.92 0.00 0.00 57.85 57.61 2d9g n ARG 20 Cb 0.51 -2.96 -0.05 0.00 0.45 0.00 0.00 32.46 30.42 2d9g n ARG 20 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 2d9g s ASN 21 N 4.70 5.13 -0.11 6.15 0.02 -0.56 -4.93 114.94 125.34 2d9g s ASN 21 Ca 0.91 -0.53 -0.03 0.00 -1.02 0.00 0.00 52.86 52.19 2d9g s ASN 21 Cb -0.48 -0.99 -0.03 0.00 0.02 0.00 0.00 41.25 39.77 2d9g s ASN 21 CO 0.43 -0.25 -0.00 -0.94 0.02 0.00 0.00 177.10 176.36 2d9g s SER 22 N -3.91 5.18 0.31 -1.22 1.04 -1.26 -2.26 113.70 111.58 2d9g s SER 22 Ca 0.38 0.08 0.06 0.00 0.48 0.00 0.00 55.95 56.94 2d9g s SER 22 Cb -0.05 -1.59 0.84 0.00 0.10 0.00 0.00 66.02 65.31 2d9g s SER 22 CO 0.25 0.31 1.64 0.00 0.98 0.00 0.00 173.24 176.42 2d9g h ALA 23 N 5.68 1.47 -0.53 5.32 0.00 -1.80 0.28 119.26 129.68 2d9g h ALA 23 Ca -0.45 0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.77 2d9g h ALA 23 Cb 1.19 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 19.22 2d9g h ALA 23 CO 0.58 -0.53 0.17 0.93 0.00 0.00 0.00 179.25 180.40 2d9g h GLU 24 N 0.21 0.33 -5.97 0.00 5.08 -1.95 -3.38 114.58 108.90 2d9g h GLU 24 Ca 0.61 -0.02 -0.53 0.00 -1.00 0.00 0.00 59.36 58.43 2d9g h GLU 24 Cb 1.31 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 2d9g h GLU 24 CO -0.67 0.22 1.43 0.00 -1.00 0.00 0.00 179.01 178.98 2d9g s ALA 25 N -6.12 2.31 0.27 3.43 0.00 0.10 -4.85 121.76 116.91 2d9g s ALA 25 Ca -0.13 0.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.79 2d9g s ALA 25 Cb 0.15 -4.20 0.55 0.00 0.00 0.00 0.00 23.12 19.63 2d9g s ALA 25 CO 0.73 -3.52 1.61 0.27 0.00 0.00 0.00 175.76 174.86 2d9g h PHE 26 N 15.58 -0.06 -1.29 0.00 -0.00 -1.81 -3.43 116.94 125.93 2d9g h PHE 26 Ca -0.30 0.06 -0.63 0.00 -0.00 0.00 0.00 57.97 57.10 2d9g h PHE 26 Cb 1.20 0.16 -0.13 0.00 -0.00 0.00 0.00 35.95 37.18 2d9g h PHE 26 CO 0.98 -0.31 -0.53 0.15 -0.00 0.00 0.00 178.31 178.60 2d9g s LYS 27 N -6.08 2.07 1.08 6.09 1.02 -1.26 -4.45 119.74 118.21 2d9g s LYS 27 Ca -0.13 -2.29 -0.12 0.00 0.02 0.00 0.00 55.97 53.45 2d9g s LYS 27 Cb 0.25 -1.22 0.23 0.00 -0.52 0.00 0.00 37.83 36.56 2d9g s LYS 27 CO 0.76 -0.37 1.01 0.00 -0.92 0.00 0.00 175.35 175.83 2d9g n MET 29 N -4.50 3.07 0.05 0.00 1.56 -1.26 -3.88 117.12 112.16 2d9g n MET 29 Ca 0.06 -0.00 -0.03 0.00 -0.27 0.00 0.00 57.70 57.46 2d9g n MET 29 Cb 0.54 -1.14 -0.01 0.00 2.15 0.00 0.00 33.22 34.75 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 -0.19 0.00 2.12 1.85 -1.93 -3.37 114.93 113.40 2d9g h MET 30 Ca -0.14 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.96 2d9g h MET 30 Cb 1.31 0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.38 2d9g h MET 30 CO 0.01 -0.13 -0.89 0.00 -0.40 0.00 0.00 176.91 175.50 2d9g n ASP 32 N -2.25 -5.35 -4.87 0.00 8.00 -1.25 -4.99 116.55 105.84 2d9g n ASP 32 Ca 0.02 -0.28 -0.34 0.00 0.71 0.00 0.00 54.79 54.89 2d9g n ASP 32 Cb 0.48 -4.13 -0.05 0.00 -0.02 0.00 0.00 41.12 37.39 2d9g n ASP 32 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2d9g s VAL 33 N -3.11 5.08 0.48 2.53 0.11 -1.26 -4.76 120.40 119.48 2d9g s VAL 33 Ca 0.30 0.42 -0.24 0.00 -2.93 0.00 0.00 61.98 59.53 2d9g s VAL 33 Cb -0.13 -3.65 -0.07 0.00 -1.53 0.00 0.00 36.38 31.00 2d9g s VAL 33 CO 0.37 0.24 1.41 -0.60 -3.33 0.00 0.00 175.10 173.19 2d9g s ARG 34 N -2.04 3.54 -0.03 1.54 3.52 -1.26 -2.09 118.95 122.13 2d9g s ARG 34 Ca 0.35 2.37 -0.03 0.00 -0.13 0.00 0.00 55.73 58.29 2d9g s ARG 34 Cb -0.14 -2.55 -0.04 0.00 -1.56 0.00 0.00 34.95 30.66 2d9g s ARG 34 CO 0.19 -0.92 0.16 -1.59 -0.81 0.00 0.00 175.30 172.33 2d9g s LYS 35 N -2.57 3.38 0.00 5.12 -2.85 -1.26 -4.88 119.74 116.67 2d9g s LYS 35 Ca 0.64 -0.32 0.00 0.00 -1.00 0.00 0.00 55.97 55.29 2d9g s LYS 35 Cb -0.43 -3.07 0.00 0.00 -2.06 0.00 0.00 37.83 32.27 2d9g s LYS 35 CO 0.54 0.69 0.00 0.41 0.10 0.00 0.00 175.35 177.09 2d9g n GLY 36 N 1.15 2.06 0.23 0.59 0.00 -1.26 -5.02 105.19 102.95 2d9g n GLY 36 Ca -0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 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 0.41 -3.20 2.61 2.02 -1.97 -3.40 112.91 109.38 2d9g h THR 37 Ca 0.00 0.00 -0.66 0.00 0.77 0.00 0.00 66.41 66.52 2d9g h THR 37 Cb 0.00 0.41 -0.12 0.00 -1.74 0.00 0.00 68.15 66.70 2d9g h THR 37 CO 0.00 0.00 -0.60 -0.55 0.37 0.00 0.00 175.52 174.74 2d9g s SER 38 N -5.23 5.46 0.16 4.18 0.15 -1.26 -5.02 113.70 112.14 2d9g s SER 38 Ca -0.14 0.11 -0.10 0.00 0.70 0.00 0.00 55.95 56.51 2d9g s SER 38 Cb 0.18 -1.53 0.02 0.00 -1.71 0.00 0.00 66.02 62.99 2d9g s SER 38 CO 0.73 0.29 1.57 0.00 1.20 0.00 0.00 173.24 177.04 2d9g h THR 39 N 3.47 1.27 -4.23 6.45 1.03 -2.00 -3.44 112.91 115.46 2d9g h THR 39 Ca -0.49 -1.28 -0.53 0.00 -0.01 0.00 0.00 66.41 64.10 2d9g h THR 39 Cb 1.18 1.03 0.18 0.00 -1.07 0.00 0.00 68.15 69.48 2d9g h THR 39 CO 0.59 0.45 0.30 -0.60 -0.01 0.00 0.00 175.52 176.25 2d9g s ARG 40 N -4.81 1.44 0.01 0.00 6.06 -1.26 -5.05 118.95 115.35 2d9g s ARG 40 Ca -0.12 1.68 0.01 0.00 -2.50 0.00 0.00 55.73 54.80 2d9g s ARG 40 Cb 0.12 -1.76 -0.01 0.00 0.06 0.00 0.00 34.95 33.36 2d9g s ARG 40 CO 0.86 -2.34 -0.04 0.15 -2.50 0.00 0.00 175.30 171.42 2d9g s LYS 41 N -4.33 0.32 0.00 5.12 1.02 -1.26 -5.02 119.74 115.59 2d9g s LYS 41 Ca 0.71 -0.39 0.06 0.00 0.02 0.00 0.00 55.97 56.36 2d9g s LYS 41 Cb -0.26 -0.15 0.35 0.00 -0.52 0.00 0.00 37.83 37.24 2d9g s LYS 41 CO 0.53 0.03 0.81 -0.35 -0.92 0.00 0.00 175.35 175.44 2d9g n PRO 42 N 2.26 0.49 -1.50 -1.68 -0.04 -1.26 -4.80 135.00 128.47 2d9g n PRO 42 Ca -0.18 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 62.81 2d9g n PRO 42 Cb 0.57 -1.19 -0.06 0.00 -0.04 0.00 0.00 33.50 32.79 2d9g n PRO 42 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2d9g n ARG 43 N -0.69 1.30 0.00 0.54 0.63 -1.26 -4.78 116.66 112.41 2d9g n ARG 43 Ca 0.04 0.33 0.05 0.00 -0.92 0.00 0.00 57.85 57.35 2d9g n ARG 43 Cb 0.02 -2.75 0.30 0.00 0.45 0.00 0.00 32.46 30.48 2d9g n ARG 43 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2d9g n PRO 44 N 8.46 0.49 -3.70 -0.14 -0.04 -1.26 -4.71 135.00 134.10 2d9g n PRO 44 Ca 0.38 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.48 2d9g n PRO 44 Cb 0.32 -1.33 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 2d9g n PRO 44 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2d9g s VAL 45 N -2.00 5.34 0.61 0.52 1.01 -1.26 -5.07 120.40 119.55 2d9g s VAL 45 Ca 0.15 0.42 -0.19 0.00 0.00 0.00 0.00 61.98 62.37 2d9g s VAL 45 Cb 0.07 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 2d9g s VAL 45 CO 0.12 0.54 1.25 -0.55 0.00 0.00 0.00 175.10 176.46 2d9g s SER 46 N -0.55 4.94 -0.00 3.32 0.15 -1.26 -4.88 113.70 115.41 2d9g s SER 46 Ca 0.16 2.50 0.02 0.00 0.70 0.00 0.00 55.95 59.33 2d9g s SER 46 Cb -0.13 -2.61 0.06 0.00 -1.71 0.00 0.00 66.02 61.63 2d9g s SER 46 CO 0.05 -1.77 0.96 0.00 1.20 0.00 0.00 173.24 173.69 2d9g n GLN 47 N -1.70 1.19 0.21 5.44 3.00 -1.26 -4.15 117.38 120.11 2d9g n GLN 47 Ca 0.14 -0.24 -0.08 0.00 -0.01 0.00 0.00 57.00 56.81 2d9g n GLN 47 Cb 0.49 -1.15 -0.04 0.00 0.00 0.00 0.00 30.24 29.54 2d9g n GLN 47 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 2d9g h SER 48 N 0.37 -0.47 0.00 1.08 0.02 -2.05 -3.49 113.55 109.02 2d9g h SER 48 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2d9g h SER 48 Cb 0.19 0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2d9g h SER 48 CO 0.01 -0.27 0.00 0.61 -1.14 0.00 0.00 176.83 176.04 2d9g n GLY 49 N -0.55 2.42 3.56 -3.77 0.00 -1.26 -5.01 105.19 100.59 2d9g n GLY 49 Ca -0.07 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.96 2d9g n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d9g s PRO 50 N 0.00 2.55 -0.04 1.61 0.04 -1.26 -4.90 135.00 133.00 2d9g s PRO 50 Ca 0.00 -0.41 -0.01 0.00 0.04 0.00 0.00 61.00 60.62 2d9g s PRO 50 Cb 0.00 -5.09 0.03 0.00 0.04 0.00 0.00 34.50 29.48 2d9g s PRO 50 CO 0.00 -3.45 0.03 -1.12 0.04 0.00 0.00 177.00 172.49 2d9g s SER 51 N 7.81 0.88 -0.04 6.66 0.01 -1.26 -5.06 113.70 122.70 2d9g s SER 51 Ca 0.70 0.01 -0.10 0.00 1.31 0.00 0.00 55.95 57.87 2d9g s SER 51 Cb -0.06 -0.22 -0.06 0.00 0.21 0.00 0.00 66.02 65.90 2d9g s SER 51 CO 0.01 -0.18 0.47 0.28 0.41 0.00 0.00 173.24 174.23 2d9g h SER 52 N 7.92 -0.31 0.00 2.44 0.02 -2.07 -3.55 113.55 118.00 2d9g h SER 52 Ca -0.27 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2d9g h SER 52 Cb 1.12 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2d9g h SER 52 CO 0.31 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 176.67