#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 -0.15 0.12 1.61 1.04 -1.26 -5.07 113.70 109.99 2d9g s SER 2 Ca 0.00 -0.39 -0.30 0.00 0.48 0.00 0.00 55.95 55.74 2d9g s SER 2 Cb 0.00 0.44 -0.10 0.00 0.10 0.00 0.00 66.02 66.46 2d9g s SER 2 CO 0.00 -0.82 1.49 0.28 0.98 0.00 0.00 173.24 175.17 2d9g h SER 3 N 2.47 -1.68 0.00 7.02 0.02 -2.08 -3.46 113.55 115.85 2d9g h SER 3 Ca -0.34 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2d9g h SER 3 Cb 1.24 0.69 0.00 0.00 0.14 0.00 0.00 62.40 64.47 2d9g h SER 3 CO 0.49 -0.37 0.00 0.61 -1.14 0.00 0.00 176.83 176.42 2d9g n GLY 4 N -1.34 1.98 0.18 -3.77 0.00 -1.26 -5.03 105.19 95.95 2d9g n GLY 4 Ca -0.03 0.38 -0.04 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.04 -2.47 1.61 0.02 -2.04 -3.41 113.55 107.23 2d9g h SER 5 Ca 0.00 0.08 -0.54 0.00 -0.84 0.00 0.00 61.79 60.49 2d9g h SER 5 Cb 0.00 0.12 0.04 0.00 0.14 0.00 0.00 62.40 62.71 2d9g h SER 5 CO 0.00 0.02 1.06 -1.54 -1.14 0.00 0.00 176.83 175.23 2d9g n SER 6 N -5.13 3.91 0.00 3.07 3.41 -1.26 -4.80 113.62 112.82 2d9g n SER 6 Ca 0.04 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 59.66 2d9g n SER 6 Cb 0.22 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.64 2d9g n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d9g n GLY 7 N 4.11 3.56 3.64 5.00 0.00 -1.26 -5.02 105.19 115.21 2d9g n GLY 7 Ca 0.18 -1.71 -0.44 0.00 0.00 0.00 0.00 46.02 44.06 2d9g n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2d9g n ASP 8 N 0.00 3.77 -4.29 1.61 -0.08 -1.26 -4.96 116.55 111.34 2d9g n ASP 8 Ca 0.00 0.72 -0.34 0.00 -1.51 0.00 0.00 54.79 53.67 2d9g n ASP 8 Cb 0.00 -1.50 -0.15 0.00 2.34 0.00 0.00 41.12 41.81 2d9g n ASP 8 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 2d9g s GLU 9 N 4.95 3.28 -0.22 -0.67 -1.05 -1.26 -4.95 118.70 118.77 2d9g s GLU 9 Ca 0.93 -0.71 0.08 0.00 -0.15 0.00 0.00 54.97 55.13 2d9g s GLU 9 Cb -0.46 -2.73 0.26 0.00 -0.44 0.00 0.00 34.13 30.76 2d9g s GLU 9 CO 0.42 -0.02 1.17 0.41 0.95 0.00 0.00 175.26 178.19 2d9g n GLY 10 N 4.18 0.90 3.47 -3.83 0.00 -1.26 -5.11 105.19 103.53 2d9g n GLY 10 Ca -0.19 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 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 0.08 -0.24 -0.05 1.61 1.13 -1.26 -1.69 117.35 116.93 2d9g s TYR 11 Ca 0.06 -0.07 0.02 0.00 -1.41 0.00 0.00 57.07 55.67 2d9g s TYR 11 Cb 0.28 0.42 0.02 0.00 -1.10 0.00 0.00 41.96 41.58 2d9g s TYR 11 CO -0.08 -0.87 -0.08 1.67 -2.51 0.00 0.00 175.55 173.68 2d9g s TRP 12 N -3.83 1.06 -0.39 -3.49 1.48 -1.21 -4.86 118.94 107.70 2d9g s TRP 12 Ca 0.06 -0.35 -0.27 0.00 -1.06 0.00 0.00 56.10 54.48 2d9g s TRP 12 Cb -0.01 -0.84 0.02 0.00 -1.16 0.00 0.00 33.47 31.49 2d9g s TRP 12 CO -0.07 -0.23 0.98 0.16 -4.06 0.00 0.00 176.95 173.74 2d9g s ASP 13 N 0.79 6.69 1.00 -2.66 -4.77 -1.26 -3.03 116.67 113.44 2d9g s ASP 13 Ca -0.13 0.59 -0.12 0.00 -3.30 0.00 0.00 52.55 49.59 2d9g s ASP 13 Cb -0.15 -2.49 0.14 0.00 -1.09 0.00 0.00 42.92 39.33 2d9g s ASP 13 CO 0.02 -0.94 0.78 0.00 0.70 0.00 0.00 175.17 175.72 2d9g n SER 15 N -3.23 3.16 0.20 0.00 2.88 -1.26 -3.67 113.62 111.69 2d9g n SER 15 Ca 0.07 -0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.53 2d9g n SER 15 Cb 0.54 0.62 -0.04 0.00 -0.75 0.00 0.00 64.21 64.58 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 -0.42 2.46 2.07 -1.98 -3.35 116.25 115.04 2d9g h VAL 16 Ca -0.20 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2d9g h VAL 16 Cb 1.45 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 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 1.21 -0.56 -3.16 0.00 5.66 -1.24 -4.90 114.28 111.29 2d9g n THR 18 Ca 0.17 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.78 2d9g n THR 18 Cb 0.53 -1.33 -0.06 0.00 -1.55 0.00 0.00 70.33 67.92 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 -2.59 3.84 -0.38 1.09 5.36 -1.26 -4.69 117.98 119.34 2d9g s PHE 19 Ca 0.15 1.41 -0.27 0.00 -0.96 0.00 0.00 56.93 57.25 2d9g s PHE 19 Cb -0.08 -2.61 0.02 0.00 -0.34 0.00 0.00 43.02 40.01 2d9g s PHE 19 CO 0.19 0.55 1.02 0.50 -1.46 0.00 0.00 175.22 176.01 2d9g s ARG 20 N -1.06 3.87 0.54 10.12 3.52 -1.26 -1.95 118.95 132.73 2d9g s ARG 20 Ca 0.32 0.71 0.05 0.00 -0.13 0.00 0.00 55.73 56.67 2d9g s ARG 20 Cb -0.21 -3.81 0.03 0.00 -1.56 0.00 0.00 34.95 29.41 2d9g s ARG 20 CO 0.22 -1.04 0.37 -0.80 -0.81 0.00 0.00 175.30 173.23 2d9g s ASN 21 N 1.95 4.58 0.20 -2.12 0.01 -1.17 -5.03 114.94 113.37 2d9g s ASN 21 Ca 0.42 -1.29 0.05 0.00 -0.71 0.00 0.00 52.86 51.33 2d9g s ASN 21 Cb -0.11 0.44 -0.04 0.00 0.41 0.00 0.00 41.25 41.96 2d9g s ASN 21 CO 0.21 -1.09 0.22 -0.44 -1.51 0.00 0.00 177.10 174.49 2d9g s SER 22 N -4.25 5.81 0.19 -1.22 0.01 -1.26 -3.33 113.70 109.65 2d9g s SER 22 Ca 0.31 -0.08 -0.12 0.00 1.31 0.00 0.00 55.95 57.37 2d9g s SER 22 Cb -0.02 -1.59 0.10 0.00 0.21 0.00 0.00 66.02 64.73 2d9g s SER 22 CO 0.19 0.01 1.82 0.00 0.41 0.00 0.00 173.24 175.67 2d9g h ALA 23 N 1.87 0.82 -0.51 1.44 0.00 -1.66 -2.80 119.26 118.41 2d9g h ALA 23 Ca -0.49 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.43 2d9g h ALA 23 Cb 1.22 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 2d9g h ALA 23 CO 0.63 0.30 0.08 1.49 0.00 0.00 0.00 179.25 181.75 2d9g h GLU 24 N 0.87 0.20 -6.37 0.00 4.57 -1.96 -3.41 114.58 108.49 2d9g h GLU 24 Ca 0.23 -0.01 -0.58 0.00 -1.18 0.00 0.00 59.36 57.82 2d9g h GLU 24 Cb -0.01 -0.04 0.03 0.00 -0.16 0.00 0.00 28.75 28.56 2d9g h GLU 24 CO -0.04 0.13 1.08 0.00 -1.18 0.00 0.00 179.01 179.00 2d9g n ALA 25 N -2.57 1.32 -0.12 2.92 0.00 -1.06 -4.88 120.51 116.11 2d9g n ALA 25 Ca 0.06 0.30 -0.12 0.00 0.00 0.00 0.00 53.44 53.68 2d9g n ALA 25 Cb 0.26 -2.52 -0.02 0.00 0.00 0.00 0.00 19.45 17.17 2d9g n ALA 25 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2d9g h PHE 26 N 8.80 0.93 -2.40 0.00 0.04 -1.86 -3.46 116.94 118.99 2d9g h PHE 26 Ca -0.48 -0.24 -0.53 0.00 2.80 0.00 0.00 57.97 59.52 2d9g h PHE 26 Cb 1.25 -0.21 -0.14 0.00 2.20 0.00 0.00 35.95 39.06 2d9g h PHE 26 CO 0.84 1.00 -0.59 -1.59 -0.60 0.00 0.00 178.31 177.37 2d9g s LYS 27 N -4.58 1.79 0.90 1.51 0.00 -1.26 -4.37 119.74 113.73 2d9g s LYS 27 Ca -0.12 -2.02 -0.10 0.00 0.00 0.00 0.00 55.97 53.72 2d9g s LYS 27 Cb 0.10 -1.03 0.14 0.00 0.00 0.00 0.00 37.83 37.04 2d9g s LYS 27 CO 0.84 -0.21 1.13 0.00 0.00 0.00 0.00 175.35 177.10 2d9g n MET 29 N -4.14 1.96 -0.01 0.00 2.81 -1.26 -3.72 117.12 112.77 2d9g n MET 29 Ca 0.11 -0.02 -0.00 0.00 -1.81 0.00 0.00 57.70 55.98 2d9g n MET 29 Cb 0.52 -1.29 -0.00 0.00 -0.71 0.00 0.00 33.22 31.74 2d9g n MET 29 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 2d9g h MET 30 N 0.00 -0.02 0.00 0.03 1.85 -1.96 -3.39 114.93 111.43 2d9g h MET 30 Ca -0.28 0.00 -0.09 0.00 -0.61 0.00 0.00 59.70 58.72 2d9g h MET 30 Cb 1.58 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 33.60 2d9g h MET 30 CO 0.02 -0.02 -1.12 0.00 -0.40 0.00 0.00 176.91 175.39 2d9g n ASP 32 N -2.85 -3.00 -4.78 0.00 8.00 -1.24 -5.01 116.55 107.66 2d9g n ASP 32 Ca -0.04 -0.36 -0.37 0.00 0.71 0.00 0.00 54.79 54.72 2d9g n ASP 32 Cb 0.71 -3.33 -0.07 0.00 -0.02 0.00 0.00 41.12 38.41 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 5.26 0.34 2.53 0.11 -1.26 -4.74 120.40 119.43 2d9g s VAL 33 Ca 0.13 0.58 -0.29 0.00 -2.93 0.00 0.00 61.98 59.48 2d9g s VAL 33 Cb -0.06 -3.62 -0.12 0.00 -1.53 0.00 0.00 36.38 31.06 2d9g s VAL 33 CO 0.45 0.48 1.45 -1.14 -3.33 0.00 0.00 175.10 173.00 2d9g n ARG 34 N 2.84 2.49 -3.34 1.54 0.63 -1.26 -3.01 116.66 116.55 2d9g n ARG 34 Ca -0.14 0.88 -0.19 0.00 -0.92 0.00 0.00 57.85 57.48 2d9g n ARG 34 Cb 0.52 -2.57 -0.01 0.00 0.45 0.00 0.00 32.46 30.85 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 -1.66 2.65 0.00 -0.14 -2.85 -1.26 -4.97 119.74 111.50 2d9g s LYS 35 Ca 0.57 -1.42 0.00 0.00 -1.00 0.00 0.00 55.97 54.11 2d9g s LYS 35 Cb -0.52 -2.53 0.00 0.00 -2.06 0.00 0.00 37.83 32.73 2d9g s LYS 35 CO 0.60 -0.23 0.00 0.41 0.10 0.00 0.00 175.35 176.23 2d9g n GLY 36 N -1.67 2.93 0.13 0.59 0.00 -1.26 -4.81 105.19 101.09 2d9g n GLY 36 Ca 0.05 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 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 0.83 -0.40 2.61 2.02 -1.97 -3.04 112.91 112.97 2d9g h THR 37 Ca 0.00 -0.04 -0.08 0.00 0.77 0.00 0.00 66.41 67.06 2d9g h THR 37 Cb 0.00 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2d9g h THR 37 CO 0.00 0.01 -0.05 0.77 0.37 0.00 0.00 175.52 176.62 2d9g h SER 38 N -0.26 0.74 -0.97 4.18 4.64 -2.05 -3.12 113.55 116.72 2d9g h SER 38 Ca -0.02 -0.34 0.25 0.00 -0.47 0.00 0.00 61.79 61.21 2d9g h SER 38 Cb 0.20 -0.20 -0.18 0.00 -0.31 0.00 0.00 62.40 61.91 2d9g h SER 38 CO 0.04 0.90 -0.03 0.74 -0.87 0.00 0.00 176.83 177.61 2d9g h THR 39 N 0.56 0.05 -2.97 2.95 2.02 -1.85 -3.35 112.91 110.32 2d9g h THR 39 Ca 0.11 -0.01 -0.57 0.00 0.77 0.00 0.00 66.41 66.72 2d9g h THR 39 Cb 0.55 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 2d9g h THR 39 CO 0.03 0.00 0.98 -0.13 0.37 0.00 0.00 175.52 176.77 2d9g s ARG 40 N -6.07 4.03 0.13 6.66 0.52 -1.16 -5.01 118.95 118.05 2d9g s ARG 40 Ca -0.13 1.52 0.08 0.00 -0.52 0.00 0.00 55.73 56.67 2d9g s ARG 40 Cb 0.28 -3.87 -0.04 0.00 0.52 0.00 0.00 34.95 31.85 2d9g s ARG 40 CO 0.78 -0.97 -0.19 -1.59 0.02 0.00 0.00 175.30 173.34 2d9g s LYS 41 N 3.98 1.17 1.15 3.54 -2.85 -1.26 -4.99 119.74 120.48 2d9g s LYS 41 Ca 0.59 -1.27 -0.17 0.00 -1.00 0.00 0.00 55.97 54.11 2d9g s LYS 41 Cb -0.21 -1.30 0.26 0.00 -2.06 0.00 0.00 37.83 34.53 2d9g s LYS 41 CO 0.21 0.28 1.11 -1.25 0.10 0.00 0.00 175.35 175.80 2d9g s PRO 42 N -2.37 -0.80 -0.14 1.78 0.04 -1.26 -4.94 135.00 127.31 2d9g s PRO 42 Ca 0.10 0.08 -0.29 0.00 0.04 0.00 0.00 61.00 60.93 2d9g s PRO 42 Cb -0.08 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.80 2d9g s PRO 42 CO 0.05 -3.46 1.52 1.03 0.04 0.00 0.00 177.00 176.17 2d9g s ARG 43 N -5.29 4.08 0.18 4.56 0.52 -1.26 -5.01 118.95 116.74 2d9g s ARG 43 Ca 0.69 1.86 -0.03 0.00 -0.52 0.00 0.00 55.73 57.73 2d9g s ARG 43 Cb -0.12 -3.93 0.05 0.00 0.52 0.00 0.00 34.95 31.46 2d9g s ARG 43 CO 0.56 -0.93 0.16 -0.35 0.02 0.00 0.00 175.30 174.76 2d9g n PRO 44 N 7.13 -1.34 -0.29 3.54 -0.04 -1.26 -4.90 135.00 137.83 2d9g n PRO 44 Ca 0.17 -0.26 0.06 0.00 -0.04 0.00 0.00 63.50 63.43 2d9g n PRO 44 Cb 0.44 -0.24 0.21 0.00 -0.04 0.00 0.00 33.50 33.87 2d9g n PRO 44 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2d9g h VAL 45 N -1.69 0.74 -5.36 0.52 3.04 -2.04 -3.46 116.25 108.00 2d9g h VAL 45 Ca -0.06 -0.21 -0.32 0.00 -1.01 0.00 0.00 66.70 65.10 2d9g h VAL 45 Cb 0.19 0.08 0.15 0.00 -2.01 0.00 0.00 31.29 29.69 2d9g h VAL 45 CO 0.04 0.11 -0.68 -0.24 -1.01 0.00 0.00 177.57 175.79 2d9g n SER 46 N -4.88 -3.07 -3.50 3.17 2.88 -1.26 -5.01 113.62 101.96 2d9g n SER 46 Ca 0.16 -0.55 -0.11 0.00 -1.33 0.00 0.00 58.87 57.04 2d9g n SER 46 Cb 0.41 -4.70 -0.02 0.00 -0.75 0.00 0.00 64.21 59.14 2d9g n SER 46 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2d9g s GLN 47 N -5.49 1.37 0.28 -1.46 2.00 -1.26 -5.04 119.66 110.05 2d9g s GLN 47 Ca 0.14 -0.56 -0.02 0.00 -2.00 0.00 0.00 55.36 52.92 2d9g s GLN 47 Cb -0.06 0.59 0.61 0.00 0.80 0.00 0.00 33.01 34.95 2d9g s GLN 47 CO 0.67 -0.60 1.61 0.77 -0.50 0.00 0.00 175.29 177.23 2d9g h SER 48 N 2.00 -0.36 -2.29 6.67 0.02 -2.03 -3.47 113.55 114.09 2d9g h SER 48 Ca -0.31 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2d9g h SER 48 Cb 1.30 0.40 0.00 0.00 0.14 0.00 0.00 62.40 64.24 2d9g h SER 48 CO 0.35 -0.25 0.00 0.61 -1.14 0.00 0.00 176.83 176.40 2d9g n GLY 49 N -1.45 -2.20 0.24 -3.77 0.00 -1.26 -4.95 105.19 91.79 2d9g n GLY 49 Ca 0.19 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.93 2d9g n GLY 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9g h PRO 50 N 0.00 0.00 -4.04 1.61 0.13 -2.06 -3.44 132.00 124.19 2d9g h PRO 50 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 2d9g h PRO 50 Cb 0.00 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 30.93 2d9g h PRO 50 CO 0.00 0.19 -0.70 0.45 -0.23 0.00 0.00 178.00 177.71 2d9g s SER 51 N -6.15 0.30 0.53 1.44 0.15 -1.26 -5.17 113.70 103.55 2d9g s SER 51 Ca -0.00 -0.60 0.03 0.00 0.70 0.00 0.00 55.95 56.08 2d9g s SER 51 Cb 0.11 0.12 0.04 0.00 -1.71 0.00 0.00 66.02 64.57 2d9g s SER 51 CO 0.62 -0.36 0.74 -0.44 1.20 0.00 0.00 173.24 175.01 2d9g s SER 52 N -1.74 5.28 0.00 5.45 0.01 -1.26 -5.19 113.70 116.25 2d9g s SER 52 Ca -0.11 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2d9g s SER 52 Cb -0.07 -0.68 0.00 0.00 0.21 0.00 0.00 66.02 65.49 2d9g s SER 52 CO -0.03 -1.12 0.43 0.61 0.41 0.00 0.00 173.24 173.54