#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 5.50 0.25 1.61 0.15 -1.26 -5.09 113.70 114.86 2d9g s SER 2 Ca 0.00 -0.55 0.07 0.00 0.70 0.00 0.00 55.95 56.17 2d9g s SER 2 Cb 0.00 -1.99 -0.04 0.00 -1.71 0.00 0.00 66.02 62.29 2d9g s SER 2 CO 0.00 -0.20 0.18 -0.94 1.20 0.00 0.00 173.24 173.48 2d9g s SER 3 N 1.60 5.46 0.00 5.45 1.04 -1.26 -4.99 113.70 121.00 2d9g s SER 3 Ca 0.04 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.20 2d9g s SER 3 Cb -0.17 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.58 2d9g s SER 3 CO 0.06 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.86 2d9g n GLY 4 N -1.10 0.17 3.43 7.32 0.00 -1.26 -4.97 105.19 108.78 2d9g n GLY 4 Ca -0.08 -1.43 -0.44 0.00 0.00 0.00 0.00 46.02 44.07 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 6.20 -0.00 1.61 0.01 -1.26 -5.03 113.70 111.23 2d9g s SER 5 Ca 0.00 -1.06 -0.12 0.00 1.31 0.00 0.00 55.95 56.08 2d9g s SER 5 Cb 0.00 -2.26 0.01 0.00 0.21 0.00 0.00 66.02 63.99 2d9g s SER 5 CO 0.00 -0.82 0.25 -0.55 0.41 0.00 0.00 173.24 172.52 2d9g s SER 6 N 2.69 -0.10 -0.58 2.44 0.15 -1.26 -5.09 113.70 111.95 2d9g s SER 6 Ca 0.12 -0.06 -0.26 0.00 0.70 0.00 0.00 55.95 56.44 2d9g s SER 6 Cb -0.21 0.28 -0.10 0.00 -1.71 0.00 0.00 66.02 64.28 2d9g s SER 6 CO 0.10 -0.44 2.46 0.61 1.20 0.00 0.00 173.24 177.16 2d9g n GLY 7 N 1.24 0.06 3.36 9.45 0.00 -1.26 -4.91 105.19 113.13 2d9g n GLY 7 Ca -0.22 0.69 -0.32 0.00 0.00 0.00 0.00 46.02 46.17 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 15.32 -2.17 -3.73 1.61 5.68 -1.26 -3.30 116.55 128.71 2d9g n ASP 8 Ca 0.42 0.11 -0.26 0.00 -0.50 0.00 0.00 54.79 54.56 2d9g n ASP 8 Cb 0.47 -1.10 0.05 0.00 -1.14 0.00 0.00 41.12 39.40 2d9g n ASP 8 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2d9g n GLU 9 N -2.03 -6.64 -2.45 0.11 2.13 -1.26 -4.91 120.64 105.60 2d9g n GLU 9 Ca 0.04 0.72 -0.37 0.00 0.66 0.00 0.00 57.16 58.21 2d9g n GLU 9 Cb 0.57 -5.67 0.01 0.00 0.27 0.00 0.00 31.44 26.63 2d9g n GLU 9 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2d9g n GLY 10 N -1.79 5.86 3.43 8.31 0.00 -1.21 -4.96 105.19 114.84 2d9g n GLY 10 Ca -0.02 -2.60 -0.14 0.00 0.00 0.00 0.00 46.02 43.25 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 -4.03 -0.55 -0.13 1.61 1.13 -1.26 -2.52 117.35 111.60 2d9g s TYR 11 Ca 0.46 1.22 -0.02 0.00 -1.41 0.00 0.00 57.07 57.32 2d9g s TYR 11 Cb 0.30 0.23 -0.02 0.00 -1.10 0.00 0.00 41.96 41.37 2d9g s TYR 11 CO -0.23 -0.37 -0.07 1.67 -2.51 0.00 0.00 175.55 174.04 2d9g s TRP 12 N -0.26 2.95 0.57 -3.49 1.48 -1.20 -4.92 118.94 114.07 2d9g s TRP 12 Ca -0.04 -0.31 -0.15 0.00 -1.06 0.00 0.00 56.10 54.53 2d9g s TRP 12 Cb -0.03 -1.87 -0.05 0.00 -1.16 0.00 0.00 33.47 30.36 2d9g s TRP 12 CO 0.03 0.01 1.02 0.34 -4.06 0.00 0.00 176.95 174.29 2d9g s ASP 13 N 0.08 6.18 0.40 -2.66 2.15 -1.26 -3.62 116.67 117.94 2d9g s ASP 13 Ca -0.02 1.65 0.02 0.00 0.43 0.00 0.00 52.55 54.63 2d9g s ASP 13 Cb -0.14 -2.51 -0.01 0.00 -0.30 0.00 0.00 42.92 39.96 2d9g s ASP 13 CO 0.03 -0.90 0.60 0.00 -0.17 0.00 0.00 175.17 174.73 2d9g n SER 15 N -1.91 2.58 0.06 0.00 7.64 -1.26 -3.60 113.62 117.12 2d9g n SER 15 Ca -0.00 -0.01 -0.03 0.00 1.01 0.00 0.00 58.87 59.84 2d9g n SER 15 Cb 0.57 0.63 -0.02 0.00 -1.01 0.00 0.00 64.21 64.38 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 0.00 -0.05 0.44 2.07 -1.97 -3.38 116.25 113.35 2d9g h VAL 16 Ca -0.27 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2d9g h VAL 16 Cb 1.60 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 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 0.96 -0.63 -2.93 0.00 -2.24 -1.24 -4.91 114.28 103.29 2d9g n THR 18 Ca 0.10 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.51 2d9g n THR 18 Cb 0.43 -1.50 -0.06 0.00 -2.10 0.00 0.00 70.33 67.10 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 -2.63 3.77 0.02 4.78 5.36 -1.26 -4.51 117.98 123.50 2d9g s PHE 19 Ca 0.14 1.64 -0.30 0.00 -0.96 0.00 0.00 56.93 57.45 2d9g s PHE 19 Cb -0.08 -2.79 -0.05 0.00 -0.34 0.00 0.00 43.02 39.76 2d9g s PHE 19 CO 0.18 0.35 1.26 0.50 -1.46 0.00 0.00 175.22 176.06 2d9g s ARG 20 N -1.71 4.37 0.12 10.12 3.52 -1.26 -3.26 118.95 130.85 2d9g s ARG 20 Ca 0.43 1.82 0.06 0.00 -0.13 0.00 0.00 55.73 57.91 2d9g s ARG 20 Cb -0.20 -3.44 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 2d9g s ARG 20 CO 0.24 -0.40 -0.14 -0.80 -0.81 0.00 0.00 175.30 173.40 2d9g s ASN 21 N 1.36 2.03 0.34 -2.12 0.01 -1.24 -4.91 114.94 110.41 2d9g s ASN 21 Ca 0.60 -0.82 -0.26 0.00 -0.71 0.00 0.00 52.86 51.67 2d9g s ASN 21 Cb -0.29 -0.07 -0.10 0.00 0.41 0.00 0.00 41.25 41.20 2d9g s ASN 21 CO 0.27 -0.14 0.97 -0.44 -1.51 0.00 0.00 177.10 176.24 2d9g s SER 22 N -2.48 7.23 0.15 -1.22 0.01 -1.26 -3.23 113.70 112.90 2d9g s SER 22 Ca 0.09 1.88 -0.25 0.00 1.31 0.00 0.00 55.95 58.98 2d9g s SER 22 Cb -0.05 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.62 2d9g s SER 22 CO 0.03 -0.15 1.59 0.00 0.41 0.00 0.00 173.24 175.13 2d9g h ALA 23 N 3.03 -0.31 -0.95 1.44 0.00 -1.84 -1.07 119.26 119.56 2d9g h ALA 23 Ca -0.47 0.07 0.24 0.00 0.00 0.00 0.00 54.91 54.75 2d9g h ALA 23 Cb 1.20 0.72 -0.18 0.00 0.00 0.00 0.00 17.79 19.53 2d9g h ALA 23 CO 0.64 -0.79 -0.03 1.05 0.00 0.00 0.00 179.25 180.13 2d9g h GLU 24 N -0.32 0.02 -6.48 0.00 4.11 -1.93 -3.39 114.58 106.59 2d9g h GLU 24 Ca 0.14 -0.00 -0.56 0.00 0.07 0.00 0.00 59.36 59.01 2d9g h GLU 24 Cb 0.56 -0.01 0.04 0.00 0.50 0.00 0.00 28.75 29.84 2d9g h GLU 24 CO -0.49 0.02 1.02 0.00 0.07 0.00 0.00 179.01 179.63 2d9g n ALA 25 N -3.20 1.80 0.03 1.06 0.00 -0.41 -4.89 120.51 114.90 2d9g n ALA 25 Ca 0.20 0.35 -0.19 0.00 0.00 0.00 0.00 53.44 53.80 2d9g n ALA 25 Cb 0.66 -2.51 -0.10 0.00 0.00 0.00 0.00 19.45 17.50 2d9g n ALA 25 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2d9g h PHE 26 N 7.88 0.95 -1.89 0.00 -0.00 -1.84 -3.46 116.94 118.57 2d9g h PHE 26 Ca -0.46 -0.51 -0.62 0.00 -0.00 0.00 0.00 57.97 56.38 2d9g h PHE 26 Cb 1.24 -0.11 -0.13 0.00 -0.00 0.00 0.00 35.95 36.95 2d9g h PHE 26 CO 0.75 1.34 -0.66 -1.59 -0.00 0.00 0.00 178.31 178.15 2d9g s LYS 27 N -3.32 1.86 1.05 6.09 -2.85 -1.26 -4.24 119.74 117.07 2d9g s LYS 27 Ca -0.11 -1.95 -0.13 0.00 -1.00 0.00 0.00 55.97 52.79 2d9g s LYS 27 Cb 0.06 -1.72 0.17 0.00 -2.06 0.00 0.00 37.83 34.28 2d9g s LYS 27 CO 0.90 0.11 0.74 0.00 0.10 0.00 0.00 175.35 177.20 2d9g n MET 29 N -3.57 1.17 0.04 0.00 0.00 -1.26 -3.70 117.12 109.79 2d9g n MET 29 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 57.70 57.78 2d9g n MET 29 Cb 0.55 -1.30 -0.01 0.00 0.00 0.00 0.00 33.22 32.46 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 -0.13 0.00 0.03 1.85 -1.93 -3.38 114.93 111.37 2d9g h MET 30 Ca -0.32 0.01 -0.05 0.00 -0.61 0.00 0.00 59.70 58.73 2d9g h MET 30 Cb 1.61 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 33.66 2d9g h MET 30 CO -0.02 -0.09 -0.77 0.00 -0.40 0.00 0.00 176.91 175.63 2d9g n ASP 32 N -2.90 -3.30 -4.89 0.00 8.00 -1.24 -5.00 116.55 107.21 2d9g n ASP 32 Ca -0.01 -0.54 -0.35 0.00 0.71 0.00 0.00 54.79 54.61 2d9g n ASP 32 Cb 0.63 -4.66 -0.05 0.00 -0.02 0.00 0.00 41.12 37.02 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 -3.31 5.43 0.45 2.53 0.11 -1.26 -4.73 120.40 119.61 2d9g s VAL 33 Ca 0.17 0.02 -0.24 0.00 -2.93 0.00 0.00 61.98 59.00 2d9g s VAL 33 Cb -0.08 -3.51 -0.09 0.00 -1.53 0.00 0.00 36.38 31.18 2d9g s VAL 33 CO 0.66 0.42 1.26 -1.14 -3.33 0.00 0.00 175.10 172.98 2d9g n ARG 34 N 1.30 1.82 -3.70 1.54 0.63 -1.26 -2.58 116.66 114.41 2d9g n ARG 34 Ca -0.14 0.65 -0.22 0.00 -0.92 0.00 0.00 57.85 57.23 2d9g n ARG 34 Cb 0.53 -2.40 -0.04 0.00 0.45 0.00 0.00 32.46 31.01 2d9g n ARG 34 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 2d9g s LYS 35 N -2.35 2.44 0.00 -0.14 -2.85 -1.26 -4.92 119.74 110.67 2d9g s LYS 35 Ca 0.64 -1.65 0.00 0.00 -1.00 0.00 0.00 55.97 53.96 2d9g s LYS 35 Cb -0.49 -2.28 0.00 0.00 -2.06 0.00 0.00 37.83 33.01 2d9g s LYS 35 CO 0.56 -0.23 0.00 0.41 0.10 0.00 0.00 175.35 176.19 2d9g n GLY 36 N -1.52 0.28 0.20 0.59 0.00 -1.26 -5.04 105.19 98.44 2d9g n GLY 36 Ca 0.02 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 2d9g n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d9g h THR 37 N 0.00 1.28 0.32 2.61 1.03 -1.94 -2.53 112.91 113.68 2d9g h THR 37 Ca 0.00 -2.23 -0.02 0.00 -0.01 0.00 0.00 66.41 64.16 2d9g h THR 37 Cb 0.00 2.36 0.00 0.00 -1.07 0.00 0.00 68.15 69.45 2d9g h THR 37 CO 0.00 0.69 -0.15 -1.28 -0.01 0.00 0.00 175.52 174.77 2d9g h SER 38 N 0.39 -0.36 -0.09 0.00 0.87 -2.04 -2.92 113.55 109.40 2d9g h SER 38 Ca -0.13 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.32 2d9g h SER 38 Cb 1.68 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.72 2d9g h SER 38 CO 0.20 -0.11 0.04 0.00 -0.53 0.00 0.00 176.83 176.43 2d9g h THR 39 N -0.62 1.07 -2.63 2.23 1.03 -1.98 -3.38 112.91 108.62 2d9g h THR 39 Ca -0.04 -0.24 -0.54 0.00 -0.01 0.00 0.00 66.41 65.57 2d9g h THR 39 Cb 0.45 0.93 -0.08 0.00 -1.07 0.00 0.00 68.15 68.38 2d9g h THR 39 CO 0.07 0.09 1.04 -0.13 -0.01 0.00 0.00 175.52 176.58 2d9g s ARG 40 N -5.09 3.29 -0.12 0.00 0.52 -0.95 -4.99 118.95 111.61 2d9g s ARG 40 Ca -0.06 -0.07 -0.30 0.00 -0.52 0.00 0.00 55.73 54.79 2d9g s ARG 40 Cb 0.17 -4.13 -0.02 0.00 0.52 0.00 0.00 34.95 31.49 2d9g s ARG 40 CO 0.70 -2.00 1.22 0.15 0.02 0.00 0.00 175.30 175.39 2d9g s LYS 41 N 5.49 4.29 0.00 3.54 -0.14 -1.26 -4.86 119.74 126.80 2d9g s LYS 41 Ca 0.38 1.64 0.11 0.00 -1.36 0.00 0.00 55.97 56.75 2d9g s LYS 41 Cb -0.08 -3.66 0.68 0.00 -1.68 0.00 0.00 37.83 33.08 2d9g s LYS 41 CO 0.19 -0.58 1.11 -0.35 -0.76 0.00 0.00 175.35 174.95 2d9g n PRO 42 N 5.95 0.49 -1.76 -1.68 -0.04 -1.26 -4.83 135.00 131.87 2d9g n PRO 42 Ca 0.12 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.19 2d9g n PRO 42 Cb 0.46 -1.36 0.03 0.00 -0.04 0.00 0.00 33.50 32.58 2d9g n PRO 42 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2d9g n ARG 43 N -0.86 2.02 0.00 0.54 1.74 -1.26 -4.85 116.66 113.99 2d9g n ARG 43 Ca 0.08 0.73 0.03 0.00 -0.77 0.00 0.00 57.85 57.92 2d9g n ARG 43 Cb 0.04 -2.61 0.18 0.00 -1.02 0.00 0.00 32.46 29.04 2d9g n ARG 43 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2d9g n PRO 44 N -0.55 0.49 -2.69 5.56 -0.04 -1.26 -4.75 135.00 131.76 2d9g n PRO 44 Ca 0.07 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.11 2d9g n PRO 44 Cb 0.43 -1.19 -0.03 0.00 -0.04 0.00 0.00 33.50 32.67 2d9g n PRO 44 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2d9g s VAL 45 N -2.00 4.81 0.01 0.52 -7.23 -1.26 -5.04 120.40 110.21 2d9g s VAL 45 Ca 0.09 2.04 0.02 0.00 -1.81 0.00 0.00 61.98 62.31 2d9g s VAL 45 Cb 0.04 -4.31 -0.04 0.00 0.56 0.00 0.00 36.38 32.64 2d9g s VAL 45 CO 0.07 0.09 0.01 -0.55 -0.31 0.00 0.00 175.10 174.41 2d9g s SER 46 N 1.06 5.19 -0.21 4.85 0.15 -1.26 -5.09 113.70 118.38 2d9g s SER 46 Ca 0.51 -0.01 -0.22 0.00 0.70 0.00 0.00 55.95 56.92 2d9g s SER 46 Cb -0.20 -1.36 0.06 0.00 -1.71 0.00 0.00 66.02 62.81 2d9g s SER 46 CO 0.24 0.26 0.61 -1.58 1.20 0.00 0.00 173.24 173.97 2d9g s GLN 47 N -1.72 0.75 0.07 5.44 0.74 -1.26 -5.17 119.66 118.50 2d9g s GLN 47 Ca 0.21 0.78 0.05 0.00 0.05 0.00 0.00 55.36 56.45 2d9g s GLN 47 Cb -0.12 0.36 -0.03 0.00 1.10 0.00 0.00 33.01 34.33 2d9g s GLN 47 CO 0.12 -0.11 -0.14 -1.54 -0.55 0.00 0.00 175.29 173.07 2d9g s SER 48 N 0.15 1.66 0.00 6.67 1.04 -1.26 -5.12 113.70 116.85 2d9g s SER 48 Ca -0.01 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2d9g s SER 48 Cb -0.04 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.03 2d9g s SER 48 CO 0.02 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.78 2d9g n GLY 49 N 1.35 3.87 3.58 7.32 0.00 -1.26 -5.03 105.19 115.02 2d9g n GLY 49 Ca -0.21 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 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 -3.49 3.07 0.06 1.61 0.04 -1.26 -4.95 135.00 130.08 2d9g s PRO 50 Ca 0.00 1.01 -0.30 0.00 0.04 0.00 0.00 61.00 61.75 2d9g s PRO 50 Cb 0.00 -4.25 -0.08 0.00 0.04 0.00 0.00 34.50 30.20 2d9g s PRO 50 CO 0.00 -2.19 1.74 -1.54 0.04 0.00 0.00 177.00 175.05 2d9g s SER 51 N 6.64 6.55 -0.05 6.66 1.04 -1.26 -4.96 113.70 128.32 2d9g s SER 51 Ca 0.72 2.54 -0.29 0.00 0.48 0.00 0.00 55.95 59.39 2d9g s SER 51 Cb -0.17 -2.55 0.10 0.00 0.10 0.00 0.00 66.02 63.50 2d9g s SER 51 CO 0.28 -0.94 0.88 -0.55 0.98 0.00 0.00 173.24 173.88 2d9g s SER 52 N 2.94 -0.42 0.00 7.02 0.15 -1.26 -5.32 113.70 116.82 2d9g s SER 52 Ca 0.78 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.64 2d9g s SER 52 Cb -0.41 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 2d9g s SER 52 CO 0.34 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.83