#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yti s SER 2 N 0.00 -0.46 0.37 1.61 0.15 -1.26 -5.18 113.70 108.92 2yti s SER 2 Ca 0.00 0.72 -0.15 0.00 0.70 0.00 0.00 55.95 57.22 2yti s SER 2 Cb 0.00 1.24 0.04 0.00 -1.71 0.00 0.00 66.02 65.59 2yti s SER 2 CO 0.00 -0.11 0.74 -0.44 1.20 0.00 0.00 173.24 174.63 2yti s SER 3 N 1.44 0.07 0.00 5.45 0.01 -1.26 -5.17 113.70 114.23 2yti s SER 3 Ca -0.08 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.06 2yti s SER 3 Cb -0.04 0.82 0.00 0.00 0.21 0.00 0.00 66.02 67.01 2yti s SER 3 CO -0.15 -1.60 0.00 0.61 0.41 0.00 0.00 173.24 172.51 2yti n GLY 4 N -0.52 -0.75 2.91 3.44 0.00 -1.26 -5.13 105.19 103.89 2yti n GLY 4 Ca -0.07 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 2yti n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yti s SER 5 N -4.00 0.33 -0.16 1.61 0.15 -1.26 -5.04 113.70 105.33 2yti s SER 5 Ca 0.00 0.22 -0.25 0.00 0.70 0.00 0.00 55.95 56.62 2yti s SER 5 Cb 0.00 1.05 -0.24 0.00 -1.71 0.00 0.00 66.02 65.13 2yti s SER 5 CO 0.00 -0.30 0.54 0.28 1.20 0.00 0.00 173.24 174.96 2yti h SER 6 N 8.20 0.05 -5.59 5.45 0.02 -2.08 -3.49 113.55 116.10 2yti h SER 6 Ca -0.19 -0.80 -0.09 0.00 -0.84 0.00 0.00 61.79 59.88 2yti h SER 6 Cb 1.15 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2yti h SER 6 CO 0.27 1.26 -0.39 0.61 -1.14 0.00 0.00 176.83 177.44 2yti n GLY 7 N 1.56 -1.16 3.78 -3.77 0.00 -1.26 -4.97 105.19 99.36 2yti n GLY 7 Ca -0.20 0.80 -0.37 0.00 0.00 0.00 0.00 46.02 46.25 2yti n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2yti s THR 8 N -2.75 5.17 0.38 2.61 -1.32 -1.26 -5.08 115.64 113.38 2yti s THR 8 Ca 0.11 0.76 -0.06 0.00 -1.21 0.00 0.00 61.69 61.29 2yti s THR 8 Cb -0.03 -3.70 0.10 0.00 -1.51 0.00 0.00 72.50 67.36 2yti s THR 8 CO 0.78 0.47 0.27 0.61 -2.21 0.00 0.00 174.62 174.54 2yti n GLY 9 N 2.59 -3.27 3.12 6.08 0.00 -1.26 -5.00 105.19 107.45 2yti n GLY 9 Ca -0.12 -1.34 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 2yti n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yti s GLU 10 N -3.62 2.09 0.01 1.61 0.41 -1.26 -5.08 118.70 112.86 2yti s GLU 10 Ca 0.19 -1.58 0.08 0.00 -0.41 0.00 0.00 54.97 53.25 2yti s GLU 10 Cb -0.03 -3.31 -0.02 0.00 -1.78 0.00 0.00 34.13 28.99 2yti s GLU 10 CO 0.15 -0.84 -0.25 0.15 -0.49 0.00 0.00 175.26 173.99 2yti s LYS 11 N 1.14 1.86 0.00 1.61 3.01 -1.26 -5.01 119.74 121.09 2yti s LYS 11 Ca 0.02 -0.95 0.14 0.00 -1.01 0.00 0.00 55.97 54.17 2yti s LYS 11 Cb -0.21 -1.89 0.82 0.00 -1.01 0.00 0.00 37.83 35.54 2yti s LYS 11 CO -0.04 0.51 1.24 -0.35 0.51 0.00 0.00 175.35 177.22 2yti n PRO 12 N 2.19 0.49 -2.79 -1.68 -0.04 -1.26 -3.91 135.00 127.99 2yti n PRO 12 Ca -0.16 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.89 2yti n PRO 12 Cb 0.52 -1.44 0.01 0.00 -0.04 0.00 0.00 33.50 32.55 2yti n PRO 12 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2yti n TYR 13 N -0.94 2.64 -4.30 0.54 4.02 -1.26 -4.99 117.16 112.87 2yti n TYR 13 Ca 0.10 -2.65 -0.35 0.00 -0.01 0.00 0.00 57.90 55.00 2yti n TYR 13 Cb 0.05 -1.18 -0.10 0.00 -0.02 0.00 0.00 39.34 38.09 2yti n TYR 13 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 2yti s LYS 14 N -3.74 3.36 0.56 -0.72 2.20 -1.25 -0.91 119.74 119.24 2yti s LYS 14 Ca 0.37 -0.42 -0.17 0.00 -0.36 0.00 0.00 55.97 55.39 2yti s LYS 14 Cb 0.14 -2.91 -0.05 0.00 -1.51 0.00 0.00 37.83 33.50 2yti s LYS 14 CO -0.04 0.50 1.04 0.00 -0.36 0.00 0.00 175.35 176.49 2yti n ASN 16 N -1.77 1.09 0.12 0.00 4.13 -1.26 -3.06 115.26 114.51 2yti n ASN 16 Ca 0.08 -0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.22 2yti n ASN 16 Cb 0.53 0.89 -0.06 0.00 -1.54 0.00 0.00 39.78 39.60 2yti n ASN 16 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2yti h GLU 17 N 0.00 -0.29 0.00 3.52 3.07 -1.99 -3.38 114.58 115.51 2yti h GLU 17 Ca -0.43 0.02 -0.23 0.00 -0.50 0.00 0.00 59.36 58.22 2yti h GLU 17 Cb 1.98 0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 29.92 2yti h GLU 17 CO 0.02 -0.19 -1.80 0.00 -1.40 0.00 0.00 179.01 175.64 2yti n GLY 19 N 2.30 1.98 3.91 0.00 0.00 -1.17 -5.07 105.19 107.15 2yti n GLY 19 Ca -0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 2yti n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yti s LYS 20 N -0.08 1.72 0.05 1.61 2.20 -1.25 -4.71 119.74 119.28 2yti s LYS 20 Ca 0.00 -0.05 0.03 0.00 -0.36 0.00 0.00 55.97 55.59 2yti s LYS 20 Cb 0.00 -1.96 -0.03 0.00 -1.51 0.00 0.00 37.83 34.33 2yti s LYS 20 CO 0.00 -1.72 -0.10 0.08 -0.36 0.00 0.00 175.35 173.25 2yti s VAL 21 N -3.60 0.77 0.30 4.02 1.01 -1.26 0.13 120.40 121.77 2yti s VAL 21 Ca 0.64 -1.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 2yti s VAL 21 Cb -0.09 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 2yti s VAL 21 CO 0.49 -0.32 0.41 -0.36 0.00 0.00 0.00 175.10 175.32 2yti s PHE 22 N -1.35 0.98 -0.07 5.22 0.40 -0.08 -4.98 117.98 118.10 2yti s PHE 22 Ca -0.07 -1.21 0.07 0.00 -0.60 0.00 0.00 56.93 55.12 2yti s PHE 22 Cb -0.10 -0.15 -0.09 0.00 0.51 0.00 0.00 43.02 43.19 2yti s PHE 22 CO 0.01 -1.01 0.04 2.41 0.70 0.00 0.00 175.22 177.37 2yti n THR 23 N -0.48 0.47 -4.10 0.64 -1.04 -1.26 -4.21 114.28 104.29 2yti n THR 23 Ca 0.01 -0.30 -0.29 0.00 -2.04 0.00 0.00 64.05 61.43 2yti n THR 23 Cb 0.62 -0.72 -0.07 0.00 -1.82 0.00 0.00 70.33 68.35 2yti n THR 23 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2yti s GLN 24 N -2.21 2.70 0.15 -2.82 -1.52 -1.26 -4.97 119.66 109.73 2yti s GLN 24 Ca -0.04 -0.84 -0.12 0.00 -1.95 0.00 0.00 55.36 52.42 2yti s GLN 24 Cb 0.02 -2.59 -0.00 0.00 -0.22 0.00 0.00 33.01 30.22 2yti s GLN 24 CO 0.30 0.52 1.55 -0.97 -0.25 0.00 0.00 175.29 176.45 2yti h ASN 25 N 3.06 0.93 0.23 5.90 -0.73 -1.99 -2.68 115.58 120.30 2yti h ASN 25 Ca -0.47 -0.37 -0.01 0.00 1.87 0.00 0.00 56.30 57.31 2yti h ASN 25 Cb 1.18 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 39.51 2yti h ASN 25 CO 0.62 1.09 -0.11 0.28 -0.37 0.00 0.00 177.43 178.94 2yti h SER 26 N 0.76 -0.26 -0.98 1.15 0.02 -1.98 0.10 113.55 112.37 2yti h SER 26 Ca 0.11 -0.09 0.16 0.00 -0.84 0.00 0.00 61.79 61.13 2yti h SER 26 Cb 0.70 0.07 -0.09 0.00 0.14 0.00 0.00 62.40 63.22 2yti h SER 26 CO 0.05 -0.07 0.61 0.45 -1.14 0.00 0.00 176.83 176.73 2yti h HIS 27 N -0.43 1.01 0.16 3.45 3.86 -1.98 0.27 115.15 121.49 2yti h HIS 27 Ca -0.03 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2yti h HIS 27 Cb 0.33 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.48 2yti h HIS 27 CO -0.03 0.32 -0.08 1.25 0.86 0.00 0.00 177.93 180.26 2yti h LEU 28 N 0.81 -0.18 0.29 2.43 5.85 -1.22 -2.72 115.31 120.57 2yti h LEU 28 Ca 0.51 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2yti h LEU 28 Cb 0.73 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 2yti h LEU 28 CO -0.29 0.35 -0.35 0.00 -0.34 0.00 0.00 178.44 177.81 2yti h ALA 29 N -0.19 -0.72 -0.91 1.25 0.00 -0.31 -1.55 119.26 116.83 2yti h ALA 29 Ca -0.02 -0.10 0.22 0.00 0.00 0.00 0.00 54.91 55.00 2yti h ALA 29 Cb 0.53 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 2yti h ALA 29 CO 0.04 -0.95 0.61 0.07 0.00 0.00 0.00 179.25 179.02 2yti h ARG 30 N -0.69 0.33 -0.04 0.00 0.11 -0.60 -0.78 114.38 112.70 2yti h ARG 30 Ca -0.01 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 2yti h ARG 30 Cb 0.65 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.65 2yti h ARG 30 CO -0.10 0.22 0.00 1.25 0.10 0.00 0.00 179.97 181.43 2yti h HIS 31 N 0.34 0.08 -0.12 4.08 2.76 -0.97 -2.59 115.15 118.71 2yti h HIS 31 Ca 0.47 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.66 2yti h HIS 31 Cb 1.29 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 30.22 2yti h HIS 31 CO -0.00 0.34 0.39 0.00 -1.30 0.00 0.00 177.93 177.36 2yti h ARG 32 N -0.20 0.00 0.00 5.26 3.08 -0.29 0.04 114.38 122.27 2yti h ARG 32 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2yti h ARG 32 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2yti h ARG 32 CO 0.00 0.00 0.16 0.78 -1.07 0.00 0.00 179.97 179.84 2yti h GLY 33 N 0.00 0.00 2.00 0.04 0.00 -1.28 0.13 103.07 103.96 2yti h GLY 33 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.23 2yti h GLY 33 CO -0.00 0.00 -0.74 0.16 0.00 0.00 0.00 176.54 175.96 2yti h ILE 34 N 0.00 1.39 0.14 2.60 3.07 -1.17 -0.90 117.51 122.64 2yti h ILE 34 Ca 0.00 -2.66 -0.32 0.00 1.55 0.00 0.00 64.86 63.44 2yti h ILE 34 Cb 0.31 2.49 -0.00 0.00 -0.27 0.00 0.00 36.82 39.35 2yti h ILE 34 CO 0.00 0.72 -1.63 0.45 -1.05 0.00 0.00 178.15 176.65 2yti h HIS 35 N 0.00 0.53 0.00 0.16 3.86 -0.96 -3.34 115.15 115.40 2yti h HIS 35 Ca -0.01 -0.39 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 2yti h HIS 35 Cb 1.43 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.88 2yti h HIS 35 CO 0.00 1.64 0.00 0.25 0.86 0.00 0.00 177.93 180.68 2yti n THR 36 N -3.75 0.44 -2.63 2.45 -2.24 -0.80 -4.84 114.28 102.91 2yti n THR 36 Ca -0.26 -0.18 -0.25 0.00 -2.27 0.00 0.00 64.05 61.09 2yti n THR 36 Cb 0.98 -0.59 0.02 0.00 -2.10 0.00 0.00 70.33 68.64 2yti n THR 36 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2yti s GLY 37 N -3.40 1.58 -0.24 3.38 0.00 -0.34 -4.98 107.32 103.32 2yti s GLY 37 Ca 0.11 -0.81 0.06 0.00 0.00 0.00 0.00 44.72 44.08 2yti s GLY 37 CO 0.56 -0.58 1.49 -2.21 0.00 0.00 0.00 173.10 172.37 2yti n GLU 38 N -2.37 2.66 0.49 2.90 2.13 -1.26 -4.50 120.64 120.69 2yti n GLU 38 Ca 0.03 -2.06 -0.19 0.00 0.66 0.00 0.00 57.16 55.60 2yti n GLU 38 Cb 0.57 -1.89 -0.09 0.00 0.27 0.00 0.00 31.44 30.30 2yti n GLU 38 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2yti h LYS 39 N 1.60 -1.21 -7.34 5.31 1.79 -1.90 -3.44 116.57 111.37 2yti h LYS 39 Ca 0.23 0.08 -0.47 0.00 -2.18 0.00 0.00 60.65 58.31 2yti h LYS 39 Cb 1.91 0.27 0.15 0.00 -1.58 0.00 0.00 32.23 32.98 2yti h LYS 39 CO 0.55 -0.80 0.23 -1.25 -1.08 0.00 0.00 179.45 177.10 2yti s PRO 40 N -5.62 0.94 -0.21 3.15 0.04 -1.26 -5.03 135.00 127.01 2yti s PRO 40 Ca -0.18 0.70 -0.16 0.00 0.04 0.00 0.00 61.00 61.40 2yti s PRO 40 Cb 0.02 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.69 2yti s PRO 40 CO 0.55 -2.43 -0.30 0.45 0.04 0.00 0.00 177.00 175.31 2yti n SER 41 N -4.00 1.93 0.00 6.66 2.88 -1.26 -5.10 113.62 114.73 2yti n SER 41 Ca 0.06 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 2yti n SER 41 Cb 0.56 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 2yti n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yti n GLY 42 N 1.41 -1.06 3.66 0.46 0.00 -1.26 -5.12 105.19 103.28 2yti n GLY 42 Ca -0.28 0.65 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 2yti n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yti s PRO 43 N 0.92 4.17 0.02 1.61 0.04 -1.26 -5.01 135.00 135.50 2yti s PRO 43 Ca 0.00 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2yti s PRO 43 Cb 0.00 -3.92 -0.01 0.00 0.04 0.00 0.00 34.50 30.61 2yti s PRO 43 CO 0.00 -0.83 -0.03 0.45 0.04 0.00 0.00 177.00 176.63 2yti s SER 44 N 2.97 0.27 0.23 6.66 0.15 -1.26 -5.03 113.70 117.69 2yti s SER 44 Ca 0.67 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.97 2yti s SER 44 Cb -0.29 0.06 0.56 0.00 -1.71 0.00 0.00 66.02 64.64 2yti s SER 44 CO 0.25 -0.20 1.18 -1.20 1.20 0.00 0.00 173.24 174.47 2yti n SER 45 N 2.01 -0.10 0.00 5.45 7.64 -1.26 -5.24 113.62 122.12 2yti n SER 45 Ca -0.20 1.28 0.00 0.00 1.01 0.00 0.00 58.87 60.96 2yti n SER 45 Cb 0.56 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2yti n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64