#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 -0.15 -5.13 1.61 0.87 -2.13 -3.44 113.55 105.18 2d9g h SER 2 Ca 0.00 0.07 -0.12 0.00 -1.23 0.00 0.00 61.79 60.51 2d9g h SER 2 Cb 0.00 0.14 -0.17 0.00 -0.44 0.00 0.00 62.40 61.93 2d9g h SER 2 CO 0.00 -0.04 -0.57 -0.55 -0.53 0.00 0.00 176.83 175.14 2d9g s SER 3 N -5.24 0.27 0.00 6.23 0.15 -1.26 -5.13 113.70 108.71 2d9g s SER 3 Ca -0.13 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 55.83 2d9g s SER 3 Cb 0.12 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2d9g s SER 3 CO 0.70 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2d9g n GLY 4 N 0.54 2.06 3.71 9.45 0.00 -1.26 -5.14 105.19 114.55 2d9g n GLY 4 Ca -0.17 0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 6.76 0.16 1.61 0.15 -1.26 -4.96 113.70 116.17 2d9g s SER 5 Ca 0.00 0.91 -0.11 0.00 0.70 0.00 0.00 55.95 57.45 2d9g s SER 5 Cb 0.00 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2d9g s SER 5 CO 0.00 -0.08 0.33 -0.55 1.20 0.00 0.00 173.24 174.14 2d9g s SER 6 N 0.79 -0.02 0.00 5.45 0.15 -1.26 -5.18 113.70 113.62 2d9g s SER 6 Ca 0.29 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2d9g s SER 6 Cb -0.16 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 2d9g s SER 6 CO 0.12 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.26 2d9g n GLY 7 N -0.23 3.06 3.56 9.45 0.00 -1.26 -5.12 105.19 114.65 2d9g n GLY 7 Ca -0.09 -2.11 -0.34 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.78 5.07 0.04 1.61 -4.77 -1.26 -5.10 116.67 111.48 2d9g s ASP 8 Ca 0.00 -0.04 -0.06 0.00 -3.30 0.00 0.00 52.55 49.15 2d9g s ASP 8 Cb 0.00 -1.79 -0.01 0.00 -1.09 0.00 0.00 42.92 40.03 2d9g s ASP 8 CO 0.00 0.20 0.12 -1.61 0.70 0.00 0.00 175.17 174.57 2d9g s GLU 9 N 0.22 0.60 0.00 2.11 0.41 -1.26 -5.06 118.70 115.72 2d9g s GLU 9 Ca -0.00 -0.72 0.00 0.00 -0.41 0.00 0.00 54.97 53.84 2d9g s GLU 9 Cb -0.13 0.24 0.00 0.00 -1.78 0.00 0.00 34.13 32.46 2d9g s GLU 9 CO 0.02 -0.16 0.00 0.41 -0.49 0.00 0.00 175.26 175.04 2d9g n GLY 10 N 0.78 -0.71 3.38 -1.39 0.00 -1.26 -5.14 105.19 100.85 2d9g n GLY 10 Ca -0.19 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 1.09 -0.01 1.61 -0.85 -1.26 -2.91 117.35 115.01 2d9g s TYR 11 Ca 0.00 -1.28 0.02 0.00 -0.52 0.00 0.00 57.07 55.30 2d9g s TYR 11 Cb 0.00 -0.30 -0.00 0.00 0.38 0.00 0.00 41.96 42.04 2d9g s TYR 11 CO 0.00 -0.90 -0.08 1.67 -1.52 0.00 0.00 175.55 174.72 2d9g s TRP 12 N -3.66 0.76 0.14 -3.49 1.48 -1.25 -4.93 118.94 107.99 2d9g s TRP 12 Ca 0.33 -0.15 -0.19 0.00 -1.06 0.00 0.00 56.10 55.03 2d9g s TRP 12 Cb 0.02 -0.50 -0.07 0.00 -1.16 0.00 0.00 33.47 31.76 2d9g s TRP 12 CO 0.17 -0.03 0.63 -0.51 -4.06 0.00 0.00 176.95 173.15 2d9g s ASP 13 N -0.10 7.06 0.53 -2.66 1.01 -1.26 -3.42 116.67 117.83 2d9g s ASP 13 Ca 0.02 1.32 -0.06 0.00 0.71 0.00 0.00 52.55 54.54 2d9g s ASP 13 Cb -0.04 -2.38 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 2d9g s ASP 13 CO -0.00 0.17 0.84 0.00 0.21 0.00 0.00 175.17 176.39 2d9g n SER 15 N -2.40 3.15 0.11 0.00 3.41 -1.26 -3.74 113.62 112.89 2d9g n SER 15 Ca 0.02 -0.02 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 2d9g n SER 15 Cb 0.56 0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 64.81 2d9g n SER 15 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2d9g h VAL 16 N 0.00 0.00 -0.37 -3.33 2.07 -1.99 -3.35 116.25 109.28 2d9g h VAL 16 Ca -0.21 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2d9g h VAL 16 Cb 1.42 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2d9g h VAL 16 CO -0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.58 2d9g n THR 18 N 1.19 -0.56 -3.12 0.00 5.66 -1.25 -4.89 114.28 111.31 2d9g n THR 18 Ca 0.17 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.77 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 3.41 0.04 1.09 2.19 -1.26 -4.63 117.98 116.22 2d9g s PHE 19 Ca 0.15 0.97 -0.30 0.00 0.33 0.00 0.00 56.93 58.07 2d9g s PHE 19 Cb -0.08 -2.78 -0.06 0.00 -1.31 0.00 0.00 43.02 38.79 2d9g s PHE 19 CO 0.19 -0.11 1.32 0.50 1.83 0.00 0.00 175.22 178.94 2d9g s ARG 20 N 1.66 4.34 0.37 10.12 3.52 -1.26 -3.52 118.95 134.18 2d9g s ARG 20 Ca 0.30 1.90 0.08 0.00 -0.13 0.00 0.00 55.73 57.87 2d9g s ARG 20 Cb -0.16 -3.43 -0.07 0.00 -1.56 0.00 0.00 34.95 29.72 2d9g s ARG 20 CO 0.11 -0.44 -0.03 -0.80 -0.81 0.00 0.00 175.30 173.33 2d9g s ASN 21 N 1.43 3.68 0.15 -2.12 0.01 -1.22 -4.96 114.94 111.90 2d9g s ASN 21 Ca 0.62 -1.29 -0.16 0.00 -0.71 0.00 0.00 52.86 51.32 2d9g s ASN 21 Cb -0.31 -0.35 -0.07 0.00 0.41 0.00 0.00 41.25 40.93 2d9g s ASN 21 CO 0.27 -0.36 0.57 -0.44 -1.51 0.00 0.00 177.10 175.64 2d9g s SER 22 N -3.64 6.89 0.25 -1.22 0.01 -1.26 -3.78 113.70 110.95 2d9g s SER 22 Ca 0.34 1.15 -0.04 0.00 1.31 0.00 0.00 55.95 58.70 2d9g s SER 22 Cb 0.07 -2.31 0.51 0.00 0.21 0.00 0.00 66.02 64.49 2d9g s SER 22 CO 0.17 0.12 1.65 0.00 0.41 0.00 0.00 173.24 175.59 2d9g h ALA 23 N 3.67 0.94 -0.96 1.44 0.00 -1.89 0.54 119.26 123.01 2d9g h ALA 23 Ca -0.49 0.22 0.27 0.00 0.00 0.00 0.00 54.91 54.91 2d9g h ALA 23 Cb 1.20 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 19.28 2d9g h ALA 23 CO 0.65 -0.41 0.68 1.05 0.00 0.00 0.00 179.25 181.22 2d9g h GLU 24 N 0.17 0.08 -6.44 0.00 4.11 -1.94 -3.37 114.58 107.19 2d9g h GLU 24 Ca 0.45 -0.00 -0.57 0.00 0.07 0.00 0.00 59.36 59.30 2d9g h GLU 24 Cb 0.81 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.99 2d9g h GLU 24 CO -0.62 0.05 0.94 0.00 0.07 0.00 0.00 179.01 179.46 2d9g s ALA 25 N -5.07 3.31 0.14 1.06 0.00 0.19 -4.92 121.76 116.47 2d9g s ALA 25 Ca -0.06 -0.09 -0.18 0.00 0.00 0.00 0.00 51.96 51.63 2d9g s ALA 25 Cb 0.22 -3.80 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 2d9g s ALA 25 CO 0.78 -1.88 1.76 0.35 0.00 0.00 0.00 175.76 176.78 2d9g h PHE 26 N 9.16 0.23 -1.65 0.00 3.57 -1.83 -3.45 116.94 122.96 2d9g h PHE 26 Ca -0.24 0.01 -0.62 0.00 3.53 0.00 0.00 57.97 60.65 2d9g h PHE 26 Cb 1.08 -0.06 -0.13 0.00 2.79 0.00 0.00 35.95 39.63 2d9g h PHE 26 CO 0.90 0.12 -0.59 -1.59 -2.23 0.00 0.00 178.31 174.92 2d9g s LYS 27 N -6.17 1.95 1.14 1.11 0.00 -1.26 -4.27 119.74 112.24 2d9g s LYS 27 Ca -0.13 -2.12 -0.18 0.00 0.00 0.00 0.00 55.97 53.54 2d9g s LYS 27 Cb 0.10 -1.54 0.13 0.00 0.00 0.00 0.00 37.83 36.53 2d9g s LYS 27 CO 0.70 -0.10 0.14 0.00 0.00 0.00 0.00 175.35 176.09 2d9g n MET 29 N -2.50 2.26 -0.02 0.00 1.56 -1.26 -3.92 117.12 113.23 2d9g n MET 29 Ca 0.01 0.01 -0.00 0.00 -0.27 0.00 0.00 57.70 57.44 2d9g n MET 29 Cb 0.61 -1.17 -0.00 0.00 2.15 0.00 0.00 33.22 34.82 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 -0.03 0.00 2.12 1.85 -1.93 -3.39 114.93 113.55 2d9g h MET 30 Ca -0.18 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.91 2d9g h MET 30 Cb 1.37 0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.41 2d9g h MET 30 CO -0.00 -0.02 -0.97 0.00 -0.40 0.00 0.00 176.91 175.53 2d9g n ASP 32 N -2.46 -2.81 -4.87 0.00 2.03 -1.25 -5.00 116.55 102.18 2d9g n ASP 32 Ca 0.01 -0.52 -0.35 0.00 0.52 0.00 0.00 54.79 54.44 2d9g n ASP 32 Cb 0.51 -4.48 -0.05 0.00 -0.72 0.00 0.00 41.12 36.38 2d9g n ASP 32 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2d9g s VAL 33 N -3.30 5.19 0.55 5.18 0.11 -1.26 -4.68 120.40 122.18 2d9g s VAL 33 Ca 0.11 0.38 -0.22 0.00 -2.93 0.00 0.00 61.98 59.32 2d9g s VAL 33 Cb -0.05 -3.61 -0.05 0.00 -1.53 0.00 0.00 36.38 31.15 2d9g s VAL 33 CO 0.63 0.37 1.36 -0.13 -3.33 0.00 0.00 175.10 174.00 2d9g s ARG 34 N -1.69 3.12 0.53 1.54 1.81 -1.26 -1.92 118.95 121.08 2d9g s ARG 34 Ca 0.29 2.23 0.05 0.00 -1.72 0.00 0.00 55.73 56.57 2d9g s ARG 34 Cb -0.14 -2.24 0.03 0.00 -0.45 0.00 0.00 34.95 32.15 2d9g s ARG 34 CO 0.16 -1.20 0.35 -1.59 -0.68 0.00 0.00 175.30 172.34 2d9g s LYS 35 N -2.93 2.26 -1.54 3.54 -2.85 -1.26 -4.71 119.74 112.25 2d9g s LYS 35 Ca 0.72 -2.04 -0.09 0.00 -1.00 0.00 0.00 55.97 53.57 2d9g s LYS 35 Cb -0.40 -2.05 0.07 0.00 -2.06 0.00 0.00 37.83 33.39 2d9g s LYS 35 CO 0.47 -0.56 0.60 0.41 0.10 0.00 0.00 175.35 176.38 2d9g n GLY 36 N -1.69 -0.33 0.13 0.59 0.00 -1.26 -4.88 105.19 97.76 2d9g n GLY 36 Ca -0.03 0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 2d9g n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2d9g n THR 37 N -4.42 1.53 -0.23 2.61 -2.24 -1.26 -4.49 114.28 105.78 2d9g n THR 37 Ca -0.13 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 2d9g n THR 37 Cb 0.59 -1.89 0.12 0.00 -2.10 0.00 0.00 70.33 67.06 2d9g n THR 37 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2d9g h SER 38 N -0.93 0.39 -2.88 3.42 0.02 -1.96 -3.41 113.55 108.19 2d9g h SER 38 Ca -0.63 0.06 -0.52 0.00 -0.84 0.00 0.00 61.79 59.86 2d9g h SER 38 Cb 1.58 -0.00 0.07 0.00 0.14 0.00 0.00 62.40 64.18 2d9g h SER 38 CO -0.36 0.23 0.98 0.42 -1.14 0.00 0.00 176.83 176.96 2d9g s THR 39 N -6.08 2.01 -0.24 -2.27 -4.23 -1.26 -4.99 115.64 98.58 2d9g s THR 39 Ca -0.13 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 2d9g s THR 39 Cb 0.17 -3.00 0.04 0.00 1.34 0.00 0.00 72.50 71.05 2d9g s THR 39 CO 0.75 0.00 -0.10 -0.60 -0.54 0.00 0.00 174.62 174.13 2d9g s ARG 40 N 0.61 2.64 -0.14 3.99 6.06 -1.26 -5.04 118.95 125.81 2d9g s ARG 40 Ca 0.71 -1.09 -0.07 0.00 -2.50 0.00 0.00 55.73 52.78 2d9g s ARG 40 Cb -0.49 -2.88 -0.04 0.00 0.06 0.00 0.00 34.95 31.60 2d9g s ARG 40 CO 0.38 -0.43 0.13 0.15 -2.50 0.00 0.00 175.30 173.03 2d9g s LYS 41 N 1.24 3.58 -0.80 5.12 1.02 -1.26 -5.03 119.74 123.60 2d9g s LYS 41 Ca -0.02 -0.16 -0.25 0.00 0.02 0.00 0.00 55.97 55.55 2d9g s LYS 41 Cb -0.17 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 2d9g s LYS 41 CO -0.06 0.68 1.92 -1.25 -0.92 0.00 0.00 175.35 175.71 2d9g s PRO 42 N -0.73 2.58 -0.14 -1.68 0.04 -1.26 -4.96 135.00 128.85 2d9g s PRO 42 Ca 0.13 0.02 -0.17 0.00 0.04 0.00 0.00 61.00 61.02 2d9g s PRO 42 Cb -0.12 -4.83 -0.04 0.00 0.04 0.00 0.00 34.50 29.55 2d9g s PRO 42 CO 0.03 -3.15 0.43 1.03 0.04 0.00 0.00 177.00 175.37 2d9g s ARG 43 N 7.02 4.30 0.54 4.56 3.00 -1.26 -4.96 118.95 132.15 2d9g s ARG 43 Ca 0.69 0.34 0.34 0.00 0.00 0.00 0.00 55.73 57.10 2d9g s ARG 43 Cb -0.09 -3.45 1.40 0.00 0.00 0.00 0.00 34.95 32.82 2d9g s ARG 43 CO 0.07 0.15 1.99 -1.00 0.00 0.00 0.00 175.30 176.50 2d9g h PRO 44 N 6.80 0.00 -4.22 3.54 0.13 -2.02 -3.43 132.00 132.80 2d9g h PRO 44 Ca -0.40 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.44 2d9g h PRO 44 Cb 1.17 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.04 2d9g h PRO 44 CO 0.75 0.00 -0.74 0.14 -0.23 0.00 0.00 178.00 177.92 2d9g s VAL 45 N -3.67 0.33 -0.08 1.56 -7.23 -1.26 -5.08 120.40 104.97 2d9g s VAL 45 Ca 0.01 -0.38 -0.01 0.00 -1.81 0.00 0.00 61.98 59.79 2d9g s VAL 45 Cb 0.09 -0.32 -0.01 0.00 0.56 0.00 0.00 36.38 36.70 2d9g s VAL 45 CO 0.53 -0.04 0.06 0.28 -0.31 0.00 0.00 175.10 175.62 2d9g h SER 46 N 5.68 -0.04 -1.32 4.85 0.02 -2.05 -3.47 113.55 117.22 2d9g h SER 46 Ca -0.29 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.22 2d9g h SER 46 Cb 1.20 0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.76 2d9g h SER 46 CO 0.48 0.38 -0.25 0.00 -1.14 0.00 0.00 176.83 176.30 2d9g s GLN 47 N -1.62 2.70 0.31 3.45 1.03 -1.26 -5.14 119.66 119.13 2d9g s GLN 47 Ca -0.01 -1.36 -0.02 0.00 0.04 0.00 0.00 55.36 54.02 2d9g s GLN 47 Cb 0.00 -2.69 -0.01 0.00 0.03 0.00 0.00 33.01 30.35 2d9g s GLN 47 CO 0.02 -0.37 0.40 -1.54 -2.54 0.00 0.00 175.29 171.27 2d9g s SER 48 N -4.38 0.81 0.02 12.60 1.04 -1.26 -5.05 113.70 117.48 2d9g s SER 48 Ca 0.55 -1.44 -0.28 0.00 0.48 0.00 0.00 55.95 55.26 2d9g s SER 48 Cb -0.08 0.60 -0.16 0.00 0.10 0.00 0.00 66.02 66.48 2d9g s SER 48 CO 0.33 -1.19 1.18 1.23 0.98 0.00 0.00 173.24 175.77 2d9g h GLY 49 N 2.19 -0.98 0.25 7.32 0.00 -2.03 -2.95 103.07 106.87 2d9g h GLY 49 Ca -0.28 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2d9g h GLY 49 CO 0.40 -0.36 0.00 -1.55 0.00 0.00 0.00 176.54 175.03 2d9g n PRO 50 N -5.41 0.49 0.15 4.80 -0.04 -1.26 -3.67 135.00 130.06 2d9g n PRO 50 Ca -0.12 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.41 2d9g n PRO 50 Cb 0.38 -1.13 0.40 0.00 -0.04 0.00 0.00 33.50 33.11 2d9g n PRO 50 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2d9g n SER 51 N -0.63 0.38 -4.57 3.54 7.64 -1.12 -4.49 113.62 114.37 2d9g n SER 51 Ca 0.03 0.60 -0.40 0.00 1.01 0.00 0.00 58.87 60.12 2d9g n SER 51 Cb 0.01 -0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 62.59 2d9g n SER 51 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2d9g s SER 52 N -3.54 5.12 0.00 6.43 1.04 -1.24 -5.01 113.70 116.49 2d9g s SER 52 Ca -0.02 1.22 0.00 0.00 0.48 0.00 0.00 55.95 57.63 2d9g s SER 52 Cb 0.04 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.65 2d9g s SER 52 CO 0.13 -2.33 0.00 0.61 0.98 0.00 0.00 173.24 172.63