#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 4.65 -0.13 1.61 0.15 -1.26 -5.10 113.70 113.61 2d9g s SER 2 Ca 0.00 -1.60 -0.13 0.00 0.70 0.00 0.00 55.95 54.92 2d9g s SER 2 Cb 0.00 -1.61 -0.05 0.00 -1.71 0.00 0.00 66.02 62.65 2d9g s SER 2 CO 0.00 -0.27 0.28 -0.55 1.20 0.00 0.00 173.24 173.90 2d9g s SER 3 N 1.12 6.48 0.00 5.45 0.15 -1.26 -4.94 113.70 120.69 2d9g s SER 3 Ca -0.02 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.18 2d9g s SER 3 Cb -0.20 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 2d9g s SER 3 CO -0.05 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.18 2d9g n GLY 4 N 2.96 0.94 0.14 9.45 0.00 -1.26 -5.02 105.19 112.39 2d9g n GLY 4 Ca -0.13 0.41 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 2d9g n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2d9g h SER 5 N 0.00 0.44 -3.41 1.61 0.02 -2.08 -3.43 113.55 106.71 2d9g h SER 5 Ca 0.00 -0.57 -0.65 0.00 -0.84 0.00 0.00 61.79 59.72 2d9g h SER 5 Cb 0.00 -0.13 -0.23 0.00 0.14 0.00 0.00 62.40 62.18 2d9g h SER 5 CO 0.00 0.94 -0.71 -0.55 -1.14 0.00 0.00 176.83 175.36 2d9g s SER 6 N -6.34 4.43 -0.36 3.07 0.15 -1.26 -5.02 113.70 108.38 2d9g s SER 6 Ca -0.14 -0.19 0.14 0.00 0.70 0.00 0.00 55.95 56.46 2d9g s SER 6 Cb 0.05 -1.57 0.42 0.00 -1.71 0.00 0.00 66.02 63.21 2d9g s SER 6 CO 0.78 0.21 1.10 0.61 1.20 0.00 0.00 173.24 177.13 2d9g n GLY 7 N 3.25 1.53 3.67 9.45 0.00 -1.26 -4.84 105.19 116.99 2d9g n GLY 7 Ca -0.18 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 2d9g n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2d9g s ASP 8 N -2.27 0.20 1.05 1.61 -4.77 -1.26 -5.11 116.67 106.12 2d9g s ASP 8 Ca 0.26 -1.11 -0.16 0.00 -3.30 0.00 0.00 52.55 48.23 2d9g s ASP 8 Cb 0.42 0.71 0.22 0.00 -1.09 0.00 0.00 42.92 43.18 2d9g s ASP 8 CO -0.02 -1.39 1.17 -1.83 0.70 0.00 0.00 175.17 173.81 2d9g s GLU 9 N -3.19 -0.02 0.00 2.11 -1.05 -1.26 -4.65 118.70 110.64 2d9g s GLU 9 Ca 0.21 -0.04 0.00 0.00 -0.15 0.00 0.00 54.97 54.99 2d9g s GLU 9 Cb -0.03 -1.73 0.00 0.00 -0.44 0.00 0.00 34.13 31.93 2d9g s GLU 9 CO 0.13 -2.92 0.00 0.41 0.95 0.00 0.00 175.26 173.83 2d9g n GLY 10 N -2.05 3.67 3.65 -3.83 0.00 -1.26 -5.00 105.19 100.37 2d9g n GLY 10 Ca 0.12 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 2d9g n GLY 10 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2d9g n TYR 11 N 0.00 0.92 -4.77 1.61 0.18 -1.26 -4.05 117.16 109.79 2d9g n TYR 11 Ca 0.00 0.39 -0.33 0.00 1.88 0.00 0.00 57.90 59.85 2d9g n TYR 11 Cb 0.00 -2.09 -0.16 0.00 -0.38 0.00 0.00 39.34 36.71 2d9g n TYR 11 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 2d9g s TRP 12 N -1.95 2.69 -0.18 -3.48 1.48 0.24 -4.87 118.94 112.88 2d9g s TRP 12 Ca 0.73 -1.10 -0.29 0.00 -1.06 0.00 0.00 56.10 54.38 2d9g s TRP 12 Cb -0.32 -1.82 -0.00 0.00 -1.16 0.00 0.00 33.47 30.17 2d9g s TRP 12 CO 0.51 -0.48 1.12 -0.51 -4.06 0.00 0.00 176.95 173.52 2d9g s ASP 13 N 0.65 7.07 1.04 -2.66 1.01 -1.26 -3.17 116.67 119.35 2d9g s ASP 13 Ca -0.10 1.54 -0.12 0.00 0.71 0.00 0.00 52.55 54.58 2d9g s ASP 13 Cb -0.16 -2.54 0.22 0.00 1.01 0.00 0.00 42.92 41.44 2d9g s ASP 13 CO 0.02 -0.66 1.07 0.00 0.21 0.00 0.00 175.17 175.81 2d9g n SER 15 N -4.42 4.06 0.06 0.00 7.64 -1.26 -3.71 113.62 116.00 2d9g n SER 15 Ca 0.05 -0.01 -0.12 0.00 1.01 0.00 0.00 58.87 59.80 2d9g n SER 15 Cb 0.56 0.34 -0.08 0.00 -1.01 0.00 0.00 64.21 64.01 2d9g n SER 15 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2d9g h VAL 16 N 0.00 0.93 -0.01 0.44 2.07 -1.99 -3.35 116.25 114.33 2d9g h VAL 16 Ca -0.08 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.39 2d9g h VAL 16 Cb 1.16 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 2d9g h VAL 16 CO -0.00 0.22 -0.32 0.00 0.02 0.00 0.00 177.57 177.49 2d9g n THR 18 N -0.32 -1.46 -3.41 0.00 -2.24 -1.24 -4.95 114.28 100.66 2d9g n THR 18 Ca 0.05 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.52 2d9g n THR 18 Cb 0.27 -2.39 -0.04 0.00 -2.10 0.00 0.00 70.33 66.07 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 -3.10 3.45 -0.26 4.78 5.36 -1.26 -4.69 117.98 122.26 2d9g s PHE 19 Ca 0.48 0.76 -0.27 0.00 -0.96 0.00 0.00 56.93 56.95 2d9g s PHE 19 Cb -0.24 -2.18 0.00 0.00 -0.34 0.00 0.00 43.02 40.26 2d9g s PHE 19 CO 0.59 0.25 0.94 0.50 -1.46 0.00 0.00 175.22 176.04 2d9g s ARG 20 N -3.07 4.16 -0.03 10.12 3.52 -1.26 -2.30 118.95 130.10 2d9g s ARG 20 Ca 0.46 1.07 0.06 0.00 -0.13 0.00 0.00 55.73 57.19 2d9g s ARG 20 Cb -0.11 -3.67 -0.01 0.00 -1.56 0.00 0.00 34.95 29.60 2d9g s ARG 20 CO 0.25 -0.64 -0.22 -0.80 -0.81 0.00 0.00 175.30 173.08 2d9g s ASN 21 N 1.38 2.62 1.42 -2.12 0.01 -1.19 -4.96 114.94 112.10 2d9g s ASN 21 Ca 0.40 -0.41 -0.22 0.00 -0.71 0.00 0.00 52.86 51.91 2d9g s ASN 21 Cb -0.14 -0.42 0.36 0.00 0.41 0.00 0.00 41.25 41.46 2d9g s ASN 21 CO 0.09 0.25 0.87 -1.54 -1.51 0.00 0.00 177.10 175.26 2d9g n SER 22 N 2.68 -3.79 0.02 -1.22 3.41 -1.26 -0.59 113.62 112.87 2d9g n SER 22 Ca -0.16 -0.75 -0.20 0.00 -0.26 0.00 0.00 58.87 57.50 2d9g n SER 22 Cb 0.52 -1.04 -0.14 0.00 -0.26 0.00 0.00 64.21 63.29 2d9g n SER 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d9g h ALA 23 N -3.48 0.02 -1.00 7.33 0.00 -1.90 -3.34 119.26 116.88 2d9g h ALA 23 Ca -0.43 -0.82 0.07 0.00 0.00 0.00 0.00 54.91 53.72 2d9g h ALA 23 Cb 1.32 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 19.28 2d9g h ALA 23 CO 0.28 0.49 0.65 1.49 0.00 0.00 0.00 179.25 182.16 2d9g h GLU 24 N -0.44 1.12 -6.06 0.00 4.57 -1.93 -3.41 114.58 108.42 2d9g h GLU 24 Ca -0.19 -0.07 -0.64 0.00 -1.18 0.00 0.00 59.36 57.28 2d9g h GLU 24 Cb 1.60 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 29.93 2d9g h GLU 24 CO 0.09 0.74 1.33 0.00 -1.18 0.00 0.00 179.01 179.99 2d9g n ALA 25 N -2.36 1.12 -0.19 2.92 0.00 -1.25 -4.84 120.51 115.90 2d9g n ALA 25 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.52 2d9g n ALA 25 Cb 0.20 -2.60 0.01 0.00 0.00 0.00 0.00 19.45 17.07 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 11.95 0.84 -2.21 0.00 3.57 -1.91 -3.46 116.94 125.73 2d9g h PHE 26 Ca -0.36 -0.08 -0.55 0.00 3.53 0.00 0.00 57.97 60.50 2d9g h PHE 26 Cb 1.29 -0.24 -0.13 0.00 2.79 0.00 0.00 35.95 39.65 2d9g h PHE 26 CO 0.93 0.71 -0.60 -1.59 -2.23 0.00 0.00 178.31 175.53 2d9g s LYS 27 N -5.43 1.82 0.82 1.11 -2.85 -1.26 -4.43 119.74 109.52 2d9g s LYS 27 Ca -0.13 -2.03 -0.12 0.00 -1.00 0.00 0.00 55.97 52.69 2d9g s LYS 27 Cb 0.12 -1.22 0.09 0.00 -2.06 0.00 0.00 37.83 34.76 2d9g s LYS 27 CO 0.79 -0.15 1.15 0.00 0.10 0.00 0.00 175.35 177.24 2d9g n MET 29 N -3.58 1.42 0.02 0.00 0.00 -1.26 -3.58 117.12 110.15 2d9g n MET 29 Ca 0.12 0.02 -0.01 0.00 0.00 0.00 0.00 57.70 57.82 2d9g n MET 29 Cb 0.52 -1.36 -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 -0.09 0.00 3.17 1.85 -1.94 -3.39 114.93 114.53 2d9g h MET 30 Ca -0.38 0.01 -0.18 0.00 -0.61 0.00 0.00 59.70 58.54 2d9g h MET 30 Cb 1.80 0.02 -0.03 0.00 0.43 0.00 0.00 31.60 33.82 2d9g h MET 30 CO 0.00 -0.06 -1.21 0.00 -0.40 0.00 0.00 176.91 175.24 2d9g n ASP 32 N -3.04 -3.25 -4.72 0.00 8.00 -1.23 -5.02 116.55 107.29 2d9g n ASP 32 Ca -0.07 -0.35 -0.35 0.00 0.71 0.00 0.00 54.79 54.72 2d9g n ASP 32 Cb 0.86 -3.28 -0.08 0.00 -0.02 0.00 0.00 41.12 38.59 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 -3.21 5.20 0.31 2.53 0.11 -1.26 -4.76 120.40 119.32 2d9g s VAL 33 Ca 0.17 0.11 -0.28 0.00 -2.93 0.00 0.00 61.98 59.05 2d9g s VAL 33 Cb -0.07 -3.34 -0.13 0.00 -1.53 0.00 0.00 36.38 31.30 2d9g s VAL 33 CO 0.44 0.48 1.11 -1.14 -3.33 0.00 0.00 175.10 172.67 2d9g n ARG 34 N 3.22 1.63 -0.04 1.54 0.00 -1.26 -3.36 116.66 118.38 2d9g n ARG 34 Ca -0.17 0.57 -0.06 0.00 -0.00 0.00 0.00 57.85 58.19 2d9g n ARG 34 Cb 0.53 -2.02 -0.05 0.00 0.00 0.00 0.00 32.46 30.92 2d9g n ARG 34 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2d9g n LYS 35 N 0.67 0.76 0.00 -0.14 2.85 -1.26 -4.96 118.16 116.07 2d9g n LYS 35 Ca 0.08 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 2d9g n LYS 35 Cb 0.33 -1.19 0.00 0.00 -0.65 0.00 0.00 35.03 33.53 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 2.95 -1.00 3.65 2.58 0.00 -1.26 -4.94 105.19 107.17 2d9g n GLY 36 Ca -0.16 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.30 2d9g n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d9g s THR 37 N 0.00 4.38 -0.11 2.61 2.01 -1.26 -4.91 115.64 118.37 2d9g s THR 37 Ca 0.00 1.63 -0.12 0.00 0.31 0.00 0.00 61.69 63.51 2d9g s THR 37 Cb 0.00 -4.21 -0.27 0.00 0.01 0.00 0.00 72.50 68.03 2d9g s THR 37 CO 0.00 -0.32 0.47 0.77 -0.69 0.00 0.00 174.62 174.85 2d9g h SER 38 N 8.30 0.41 -2.20 3.53 4.64 -1.96 -3.45 113.55 122.82 2d9g h SER 38 Ca -0.23 -0.88 -0.57 0.00 -0.47 0.00 0.00 61.79 59.64 2d9g h SER 38 Cb 1.08 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 2d9g h SER 38 CO 1.00 1.74 1.42 0.42 -0.87 0.00 0.00 176.83 180.55 2d9g s THR 39 N -2.52 3.19 0.13 2.95 -4.23 -1.26 -4.86 115.64 109.04 2d9g s THR 39 Ca -0.21 0.19 -0.20 0.00 -1.18 0.00 0.00 61.69 60.29 2d9g s THR 39 Cb 0.06 -3.28 -0.02 0.00 1.34 0.00 0.00 72.50 70.59 2d9g s THR 39 CO 0.77 -0.19 1.70 -0.09 -0.54 0.00 0.00 174.62 176.26 2d9g h ARG 40 N 14.68 -0.02 -4.59 3.99 2.43 -2.04 -3.35 114.38 125.48 2d9g h ARG 40 Ca -0.36 0.00 -0.71 0.00 -0.81 0.00 0.00 59.98 58.10 2d9g h ARG 40 Cb 1.21 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 30.56 2d9g h ARG 40 CO 1.01 -0.01 -0.08 0.21 -1.51 0.00 0.00 179.97 179.59 2d9g s LYS 41 N -6.20 3.04 0.53 0.20 2.20 -1.26 -5.06 119.74 113.19 2d9g s LYS 41 Ca -0.14 -1.24 -0.09 0.00 -0.36 0.00 0.00 55.97 54.15 2d9g s LYS 41 Cb 0.10 -4.18 0.13 0.00 -1.51 0.00 0.00 37.83 32.38 2d9g s LYS 41 CO 0.68 -1.26 0.47 -0.35 -0.36 0.00 0.00 175.35 174.54 2d9g n PRO 42 N 5.80 -1.93 -4.87 4.03 -0.04 -1.26 -5.06 135.00 131.67 2d9g n PRO 42 Ca -0.10 -0.75 -0.33 0.00 -0.04 0.00 0.00 63.50 62.28 2d9g n PRO 42 Cb 0.43 -0.70 -0.13 0.00 -0.04 0.00 0.00 33.50 33.06 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 -4.06 2.57 -0.02 0.54 0.52 -1.26 -5.04 118.95 112.19 2d9g s ARG 43 Ca 0.30 -0.69 -0.26 0.00 -0.52 0.00 0.00 55.73 54.57 2d9g s ARG 43 Cb -0.03 -2.40 -0.20 0.00 0.52 0.00 0.00 34.95 32.84 2d9g s ARG 43 CO 0.23 0.60 1.24 -1.00 0.02 0.00 0.00 175.30 176.39 2d9g h PRO 44 N 5.42 -0.04 -3.66 3.54 0.13 -2.07 -3.45 132.00 131.87 2d9g h PRO 44 Ca -0.45 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.45 2d9g h PRO 44 Cb 1.16 0.01 -0.28 0.00 0.13 0.00 0.00 31.00 32.02 2d9g h PRO 44 CO 0.51 0.44 -0.69 0.14 -0.23 0.00 0.00 178.00 178.16 2d9g s VAL 45 N -4.23 -0.00 -0.19 1.56 -7.23 -1.26 -5.14 120.40 103.91 2d9g s VAL 45 Ca -0.16 0.01 0.01 0.00 -1.81 0.00 0.00 61.98 60.03 2d9g s VAL 45 Cb 0.02 -0.05 0.02 0.00 0.56 0.00 0.00 36.38 36.93 2d9g s VAL 45 CO 0.65 0.00 -0.18 -0.44 -0.31 0.00 0.00 175.10 174.82 2d9g s SER 46 N 0.06 3.31 0.01 4.85 0.01 -1.26 -4.99 113.70 115.69 2d9g s SER 46 Ca -0.00 -0.71 -0.03 0.00 1.31 0.00 0.00 55.95 56.52 2d9g s SER 46 Cb -0.01 -1.50 -0.28 0.00 0.21 0.00 0.00 66.02 64.45 2d9g s SER 46 CO -0.00 -0.02 0.89 0.06 0.41 0.00 0.00 173.24 174.58 2d9g h GLN 47 N 7.93 0.25 0.73 12.44 3.07 -2.00 -3.37 115.11 134.16 2d9g h GLN 47 Ca -0.43 -0.42 -0.04 0.00 0.09 0.00 0.00 58.65 57.85 2d9g h GLN 47 Cb 1.13 0.16 0.01 0.00 0.08 0.00 0.00 27.48 28.86 2d9g h GLN 47 CO 0.62 1.12 -0.35 0.77 0.09 0.00 0.00 178.83 181.08 2d9g h SER 48 N 0.07 -0.83 0.00 0.06 0.02 -1.92 -3.47 113.55 107.48 2d9g h SER 48 Ca -0.23 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2d9g h SER 48 Cb 2.01 0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.76 2d9g h SER 48 CO 0.17 -0.50 0.00 0.61 -1.14 0.00 0.00 176.83 175.96 2d9g n GLY 49 N -0.91 2.18 0.00 -3.77 0.00 -1.26 -2.93 105.19 98.49 2d9g n GLY 49 Ca -0.12 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 5.16 0.48 -3.92 1.61 -0.04 -1.26 -4.74 135.00 132.30 2d9g n PRO 50 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 2d9g n PRO 50 Cb 0.00 -1.36 -0.02 0.00 -0.04 0.00 0.00 33.50 32.08 2d9g n PRO 50 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2d9g s SER 51 N -1.86 6.19 -0.15 3.54 0.01 -1.15 -5.01 113.70 115.27 2d9g s SER 51 Ca 0.17 -0.00 0.13 0.00 1.31 0.00 0.00 55.95 57.55 2d9g s SER 51 Cb 0.08 -1.72 0.63 0.00 0.21 0.00 0.00 66.02 65.21 2d9g s SER 51 CO 0.13 -0.12 1.48 -1.20 0.41 0.00 0.00 173.24 173.94 2d9g n SER 52 N -1.42 4.42 0.00 2.44 7.64 -1.26 -4.92 113.62 120.52 2d9g n SER 52 Ca -0.08 -2.57 0.00 0.00 1.01 0.00 0.00 58.87 57.23 2d9g n SER 52 Cb 0.57 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 2d9g n SER 52 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64