#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yto s SER 2 N 0.00 6.81 0.39 1.61 0.01 -1.26 -5.09 113.70 116.17 2yto s SER 2 Ca 0.00 0.96 0.05 0.00 1.31 0.00 0.00 55.95 58.28 2yto s SER 2 Cb 0.00 -2.25 -0.06 0.00 0.21 0.00 0.00 66.02 63.91 2yto s SER 2 CO 0.00 0.32 0.03 -0.94 0.41 0.00 0.00 173.24 173.07 2yto s SER 3 N -1.09 3.31 0.00 2.44 1.04 -1.26 -5.17 113.70 112.98 2yto s SER 3 Ca 0.24 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 55.25 2yto s SER 3 Cb -0.17 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.81 2yto s SER 3 CO 0.13 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.39 2yto n GLY 4 N -0.90 6.31 3.77 7.32 0.00 -1.26 -5.14 105.19 115.29 2yto n GLY 4 Ca -0.05 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 2yto n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yto s SER 5 N 1.00 6.67 -0.79 1.61 0.15 -1.26 -4.97 113.70 116.11 2yto s SER 5 Ca 0.00 0.80 -0.29 0.00 0.70 0.00 0.00 55.95 57.16 2yto s SER 5 Cb 0.00 -2.25 -0.16 0.00 -1.71 0.00 0.00 66.02 61.90 2yto s SER 5 CO 0.00 0.15 2.57 -1.20 1.20 0.00 0.00 173.24 175.96 2yto n SER 6 N 2.94 1.09 -4.66 5.45 7.64 -1.26 -4.86 113.62 119.95 2yto n SER 6 Ca -0.11 -0.13 -0.42 0.00 1.01 0.00 0.00 58.87 59.22 2yto n SER 6 Cb 0.52 -1.19 -0.03 0.00 -1.01 0.00 0.00 64.21 62.49 2yto n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yto s GLY 7 N 10.19 1.90 -0.08 0.23 0.00 -1.26 -5.03 107.32 113.26 2yto s GLY 7 Ca 1.20 0.05 -0.21 0.00 0.00 0.00 0.00 44.72 45.76 2yto s GLY 7 CO 0.39 1.88 0.60 -1.59 0.00 0.00 0.00 173.10 174.39 2yto s THR 8 N 2.67 5.10 -1.59 0.90 2.01 -1.26 -4.95 115.64 118.52 2yto s THR 8 Ca 0.40 1.23 0.00 0.00 0.31 0.00 0.00 61.69 63.62 2yto s THR 8 Cb -0.16 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.41 2yto s THR 8 CO 0.09 0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 2yto n GLY 9 N 3.12 0.90 3.80 4.40 0.00 -1.26 -5.03 105.19 111.12 2yto n GLY 9 Ca -0.04 -2.21 -0.39 0.00 0.00 0.00 0.00 46.02 43.38 2yto n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yto s GLU 10 N -0.98 4.25 -0.67 1.61 2.02 -1.26 -4.97 118.70 118.70 2yto s GLU 10 Ca 0.00 0.77 0.05 0.00 0.02 0.00 0.00 54.97 55.81 2yto s GLU 10 Cb 0.00 -3.26 0.20 0.00 0.10 0.00 0.00 34.13 31.17 2yto s GLU 10 CO 0.00 0.58 0.59 0.36 0.02 0.00 0.00 175.26 176.81 2yto n LYS 11 N 1.92 2.06 0.00 1.61 2.85 -1.26 -4.23 118.16 121.11 2yto n LYS 11 Ca -0.09 -4.52 0.08 0.00 -1.05 0.00 0.00 58.31 52.73 2yto n LYS 11 Cb 0.51 -2.25 0.43 0.00 -0.65 0.00 0.00 35.03 33.07 2yto n LYS 11 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 2yto n PRO 12 N 1.53 0.39 -4.90 -1.58 -0.04 -1.25 -4.64 135.00 124.50 2yto n PRO 12 Ca 0.24 0.05 -0.33 0.00 -0.04 0.00 0.00 63.50 63.43 2yto n PRO 12 Cb 0.38 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 2yto n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2yto s TYR 13 N -2.21 2.71 -0.16 0.54 2.02 -1.24 -5.06 117.35 113.95 2yto s TYR 13 Ca 0.20 -0.51 -0.04 0.00 -0.37 0.00 0.00 57.07 56.35 2yto s TYR 13 Cb 0.10 -1.73 0.07 0.00 -0.40 0.00 0.00 41.96 40.01 2yto s TYR 13 CO 0.20 -0.09 0.17 0.21 -1.57 0.00 0.00 175.55 174.47 2yto s LYS 14 N -0.09 0.11 -0.20 -0.62 2.36 -1.26 -1.10 119.74 118.94 2yto s LYS 14 Ca -0.03 0.21 -0.39 0.00 -2.55 0.00 0.00 55.97 53.22 2yto s LYS 14 Cb -0.14 -1.15 -0.16 0.00 -1.05 0.00 0.00 37.83 35.34 2yto s LYS 14 CO 0.04 -0.57 1.69 0.00 1.55 0.00 0.00 175.35 178.05 2yto n SER 16 N 4.99 6.53 0.03 0.00 7.64 -1.26 -3.24 113.62 128.30 2yto n SER 16 Ca 0.25 -3.14 0.00 0.00 1.01 0.00 0.00 58.87 56.99 2yto n SER 16 Cb 0.15 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 2yto n SER 16 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2yto n ASP 17 N 0.45 0.08 -0.05 6.43 -0.08 -1.26 -4.98 116.55 117.14 2yto n ASP 17 Ca 0.37 0.09 -0.11 0.00 -1.51 0.00 0.00 54.79 53.63 2yto n ASP 17 Cb 0.58 0.03 -0.04 0.00 2.34 0.00 0.00 41.12 44.03 2yto n ASP 17 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2yto n GLY 19 N 2.43 0.36 2.98 0.00 0.00 -1.20 -5.11 105.19 104.65 2yto n GLY 19 Ca -0.21 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 2yto n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yto s LYS 20 N 0.00 1.94 0.08 1.61 1.02 -1.26 -4.96 119.74 118.17 2yto s LYS 20 Ca 0.00 -0.74 -0.20 0.00 0.02 0.00 0.00 55.97 55.06 2yto s LYS 20 Cb 0.00 -2.29 -0.07 0.00 -0.52 0.00 0.00 37.83 34.96 2yto s LYS 20 CO 0.00 -0.40 0.58 0.00 -0.92 0.00 0.00 175.35 174.61 2yto s ALA 21 N 1.46 3.58 0.14 5.17 0.00 -1.26 -1.66 121.76 129.18 2yto s ALA 21 Ca -0.00 0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.10 2yto s ALA 21 Cb -0.16 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 2yto s ALA 21 CO -0.08 0.39 -0.20 -0.06 0.00 0.00 0.00 175.76 175.81 2yto s PHE 22 N -1.08 1.82 0.02 0.00 0.40 -0.26 -4.99 117.98 113.89 2yto s PHE 22 Ca 0.29 -0.44 -0.17 0.00 -0.60 0.00 0.00 56.93 56.01 2yto s PHE 22 Cb -0.20 -0.95 -0.30 0.00 0.51 0.00 0.00 43.02 42.08 2yto s PHE 22 CO 0.19 0.28 1.03 1.79 0.70 0.00 0.00 175.22 179.21 2yto h THR 23 N 3.62 1.35 -4.36 0.64 1.35 -1.87 -3.30 112.91 110.34 2yto h THR 23 Ca -0.44 -2.47 -0.70 0.00 -0.55 0.00 0.00 66.41 62.25 2yto h THR 23 Cb 1.19 2.87 -0.27 0.00 -1.73 0.00 0.00 68.15 70.21 2yto h THR 23 CO 0.46 0.73 -0.86 -0.13 -0.25 0.00 0.00 175.52 175.47 2yto s ARG 24 N -2.81 2.05 0.29 4.72 0.52 -1.26 -4.58 118.95 117.87 2yto s ARG 24 Ca -0.11 -0.97 -0.01 0.00 -0.52 0.00 0.00 55.73 54.13 2yto s ARG 24 Cb 0.04 -2.08 0.67 0.00 0.52 0.00 0.00 34.95 34.10 2yto s ARG 24 CO 0.90 0.55 1.59 0.87 0.02 0.00 0.00 175.30 179.23 2yto h LYS 25 N 5.12 0.04 -0.02 3.54 1.57 -1.99 0.45 116.57 125.29 2yto h LYS 25 Ca -0.45 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.36 2yto h LYS 25 Cb 1.14 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.38 2yto h LYS 25 CO 0.46 0.03 -0.45 1.03 -0.57 0.00 0.00 179.45 179.95 2yto h SER 26 N 0.04 -1.39 -1.66 0.86 0.87 -1.98 0.22 113.55 110.51 2yto h SER 26 Ca 0.55 0.17 0.50 0.00 -1.23 0.00 0.00 61.79 61.78 2yto h SER 26 Cb 1.09 0.54 -0.09 0.00 -0.44 0.00 0.00 62.40 63.50 2yto h SER 26 CO -0.86 -0.47 1.16 1.23 -0.53 0.00 0.00 176.83 177.36 2yto h GLY 27 N -0.59 0.42 0.27 5.77 0.00 -1.32 0.21 103.07 107.83 2yto h GLY 27 Ca 0.04 -0.04 -0.26 0.00 0.00 0.00 0.00 47.33 47.08 2yto h GLY 27 CO -0.34 -0.13 -1.37 -2.00 0.00 0.00 0.00 176.54 172.70 2yto h LEU 28 N 0.02 0.18 -0.45 3.11 5.85 -0.94 -3.30 115.31 119.78 2yto h LEU 28 Ca 0.85 -0.72 0.07 0.00 0.84 0.00 0.00 57.88 58.92 2yto h LEU 28 Cb 3.19 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 44.07 2yto h LEU 28 CO -0.14 1.57 -0.46 0.45 -0.34 0.00 0.00 178.44 179.51 2yto h HIS 29 N -0.60 -1.38 -0.84 1.25 3.86 0.24 0.23 115.15 117.92 2yto h HIS 29 Ca -0.33 0.08 0.10 0.00 -1.16 0.00 0.00 60.37 59.06 2yto h HIS 29 Cb 1.55 0.66 -0.06 0.00 1.06 0.00 0.00 27.41 30.63 2yto h HIS 29 CO 0.11 -0.45 0.55 0.82 0.86 0.00 0.00 177.93 179.82 2yto h ILE 30 N -0.32 0.94 -0.15 2.45 5.03 -1.52 -2.06 117.51 121.89 2yto h ILE 30 Ca 0.13 -0.27 -0.02 0.00 -0.12 0.00 0.00 64.86 64.59 2yto h ILE 30 Cb 0.58 0.10 -0.01 0.00 -3.03 0.00 0.00 36.82 34.46 2yto h ILE 30 CO -0.61 0.14 0.03 -0.74 -0.68 0.00 0.00 178.15 176.29 2yto h HIS 31 N 0.78 0.25 -0.91 1.37 -0.00 -0.78 -3.03 115.15 112.82 2yto h HIS 31 Ca 0.39 -0.03 0.28 0.00 -0.00 0.00 0.00 60.37 61.01 2yto h HIS 31 Cb 0.47 -0.07 -0.17 0.00 -0.00 0.00 0.00 27.41 27.64 2yto h HIS 31 CO -0.00 0.39 0.13 1.04 -0.00 0.00 0.00 177.93 179.49 2yto n GLN 32 N -4.82 -0.07 -0.38 5.26 1.13 0.51 -0.00 117.38 119.00 2yto n GLN 32 Ca -0.05 1.34 -0.01 0.00 -1.94 0.00 0.00 57.00 56.35 2yto n GLN 32 Cb 0.16 -2.20 0.05 0.00 0.11 0.00 0.00 30.24 28.36 2yto n GLN 32 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2yto n GLN 33 N -5.28 -0.22 -0.27 -1.09 1.13 -1.15 0.28 117.38 110.79 2yto n GLN 33 Ca 0.25 1.54 0.16 0.00 -1.94 0.00 0.00 57.00 57.00 2yto n GLN 33 Cb 0.82 -2.28 0.30 0.00 0.11 0.00 0.00 30.24 29.19 2yto n GLN 33 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2yto n SER 34 N -5.48 0.02 -2.78 1.08 7.64 0.99 0.15 113.62 115.24 2yto n SER 34 Ca 0.11 1.33 -0.29 0.00 1.01 0.00 0.00 58.87 61.03 2yto n SER 34 Cb 0.41 -0.53 -0.07 0.00 -1.01 0.00 0.00 64.21 63.00 2yto n SER 34 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2yto n HIS 35 N -5.01 1.59 0.77 1.43 8.25 0.14 -4.21 115.22 118.19 2yto n HIS 35 Ca 0.22 -2.29 0.08 0.00 -0.26 0.00 0.00 57.72 55.47 2yto n HIS 35 Cb 0.73 -1.80 -0.08 0.00 1.12 0.00 0.00 29.99 29.96 2yto n HIS 35 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2yto n THR 36 N 2.13 0.00 0.00 1.59 5.66 0.12 -5.02 114.28 118.76 2yto n THR 36 Ca 0.57 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 61.44 2yto n THR 36 Cb 0.51 1.02 0.00 0.00 -1.55 0.00 0.00 70.33 70.30 2yto n THR 36 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2yto n GLY 37 N 1.37 2.17 3.55 1.09 0.00 -1.26 -4.89 105.19 107.22 2yto n GLY 37 Ca 0.03 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 2yto n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yto n GLU 38 N 0.00 0.75 0.20 1.61 1.02 -1.26 -4.80 120.64 118.17 2yto n GLU 38 Ca 0.00 -0.47 -0.13 0.00 -0.02 0.00 0.00 57.16 56.55 2yto n GLU 38 Cb 0.00 -3.53 -0.07 0.00 -0.02 0.00 0.00 31.44 27.81 2yto n GLU 38 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2yto h ARG 39 N 15.72 -0.54 -5.59 3.49 2.43 -1.95 -3.47 114.38 124.47 2yto h ARG 39 Ca -0.10 0.04 -0.63 0.00 -0.81 0.00 0.00 59.98 58.47 2yto h ARG 39 Cb 1.12 0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 30.71 2yto h ARG 39 CO 1.08 -0.23 -0.40 -1.01 -1.51 0.00 0.00 179.97 177.90 2yto s HIS 40 N -4.35 1.74 0.90 2.20 3.76 -1.26 -5.10 115.29 113.18 2yto s HIS 40 Ca -0.13 -0.89 -0.17 0.00 -0.15 0.00 0.00 55.06 53.72 2yto s HIS 40 Cb 0.02 -1.78 -0.15 0.00 1.11 0.00 0.00 32.58 31.78 2yto s HIS 40 CO 0.46 -0.15 -0.68 0.45 -0.85 0.00 0.00 174.74 173.97 2yto n SER 41 N -1.53 -5.53 -4.65 1.40 2.88 -1.26 -4.98 113.62 99.94 2yto n SER 41 Ca -0.10 0.25 -0.24 0.00 -1.33 0.00 0.00 58.87 57.45 2yto n SER 41 Cb 0.65 -0.75 -0.08 0.00 -0.75 0.00 0.00 64.21 63.28 2yto n SER 41 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yto s GLY 42 N -0.97 2.01 0.00 0.46 0.00 -1.26 -5.01 107.32 102.55 2yto s GLY 42 Ca 0.41 -1.91 0.15 0.00 0.00 0.00 0.00 44.72 43.37 2yto s GLY 42 CO 0.78 -1.86 1.41 -1.55 0.00 0.00 0.00 173.10 171.89 2yto n PRO 43 N -0.99 0.19 -1.02 2.90 -0.04 -1.26 -4.85 135.00 129.93 2yto n PRO 43 Ca -0.04 0.15 -0.35 0.00 -0.04 0.00 0.00 63.50 63.22 2yto n PRO 43 Cb 0.62 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.66 2yto n PRO 43 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yto n SER 44 N -1.30 -2.85 -3.74 3.54 7.64 -1.26 -4.79 113.62 110.86 2yto n SER 44 Ca 0.07 0.40 -0.35 0.00 1.01 0.00 0.00 58.87 60.00 2yto n SER 44 Cb 0.12 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 2yto n SER 44 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2yto n SER 45 N 0.39 -2.96 0.00 6.43 3.41 -1.26 -5.24 113.62 114.39 2yto n SER 45 Ca 0.06 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 2yto n SER 45 Cb 0.53 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 2yto n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49