#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 4.26 0.41 1.61 1.04 -1.26 -5.16 113.70 114.60 2yto s SER 2 Ca 0.00 -1.31 0.07 0.00 0.48 0.00 0.00 55.95 55.19 2yto s SER 2 Cb 0.00 -0.08 -0.05 0.00 0.10 0.00 0.00 66.02 65.99 2yto s SER 2 CO 0.00 -0.68 0.20 -0.44 0.98 0.00 0.00 173.24 173.29 2yto s SER 3 N -3.91 4.49 0.00 7.02 0.01 -1.26 -4.98 113.70 115.08 2yto s SER 3 Ca 0.30 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.53 2yto s SER 3 Cb 0.04 -0.50 0.00 0.00 0.21 0.00 0.00 66.02 65.77 2yto s SER 3 CO 0.16 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.88 2yto n GLY 4 N -1.26 0.23 3.58 3.44 0.00 -1.26 -5.01 105.19 104.90 2yto n GLY 4 Ca -0.01 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.23 6.47 -0.44 1.61 0.15 -1.26 -4.98 113.70 115.03 2yto s SER 5 Ca 0.00 0.14 -0.03 0.00 0.70 0.00 0.00 55.95 56.76 2yto s SER 5 Cb 0.00 -2.54 0.12 0.00 -1.71 0.00 0.00 66.02 61.88 2yto s SER 5 CO 0.00 -1.42 0.23 -0.44 1.20 0.00 0.00 173.24 172.81 2yto s SER 6 N 2.86 5.25 -0.36 5.45 0.01 -1.26 -4.94 113.70 120.71 2yto s SER 6 Ca 0.43 -2.14 0.09 0.00 1.31 0.00 0.00 55.95 55.64 2yto s SER 6 Cb -0.08 -1.83 0.45 0.00 0.21 0.00 0.00 66.02 64.77 2yto s SER 6 CO 0.26 -0.52 1.12 0.61 0.41 0.00 0.00 173.24 175.11 2yto n GLY 7 N 4.45 5.15 3.01 3.44 0.00 -1.26 -5.03 105.19 114.95 2yto n GLY 7 Ca -0.01 -2.38 -0.13 0.00 0.00 0.00 0.00 46.02 43.50 2yto n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2yto s THR 8 N -4.75 -0.02 0.00 2.61 -1.32 -1.26 -5.05 115.64 105.86 2yto s THR 8 Ca 0.44 0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.98 2yto s THR 8 Cb 0.40 -0.24 0.00 0.00 -1.51 0.00 0.00 72.50 71.15 2yto s THR 8 CO -0.07 0.02 0.00 0.61 -2.21 0.00 0.00 174.62 172.98 2yto n GLY 9 N 3.42 -1.77 4.20 6.08 0.00 -1.26 -5.02 105.19 110.84 2yto n GLY 9 Ca -0.17 0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 2yto n GLY 9 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2yto n GLU 10 N -2.46 -0.82 -1.42 1.61 0.28 -1.26 -4.75 120.64 111.82 2yto n GLU 10 Ca 0.00 0.11 -0.43 0.00 -0.16 0.00 0.00 57.16 56.67 2yto n GLU 10 Cb 0.00 -3.86 -0.01 0.00 1.43 0.00 0.00 31.44 29.01 2yto n GLU 10 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2yto n LYS 11 N -3.90 0.41 -0.11 3.44 4.01 -1.26 -4.89 118.16 115.86 2yto n LYS 11 Ca -0.05 0.15 -0.13 0.00 -0.51 0.00 0.00 58.31 57.77 2yto n LYS 11 Cb 0.49 -1.32 -0.03 0.00 -0.51 0.00 0.00 35.03 33.66 2yto n LYS 11 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2yto h PRO 12 N 0.89 0.88 -6.19 1.97 0.13 -1.86 -3.45 132.00 124.37 2yto h PRO 12 Ca -0.37 -0.46 -0.50 0.00 -0.87 0.00 0.00 66.00 63.80 2yto h PRO 12 Cb 1.41 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.52 2yto h PRO 12 CO 0.53 1.11 -0.43 0.71 -0.23 0.00 0.00 178.00 179.69 2yto s TYR 13 N -4.39 2.83 -0.29 1.56 2.02 -1.26 -5.08 117.35 112.75 2yto s TYR 13 Ca -0.11 -0.37 -0.16 0.00 -0.37 0.00 0.00 57.07 56.06 2yto s TYR 13 Cb 0.10 -1.92 0.15 0.00 -0.40 0.00 0.00 41.96 39.90 2yto s TYR 13 CO 0.87 0.09 0.99 0.21 -1.57 0.00 0.00 175.55 176.13 2yto s LYS 14 N -4.04 0.34 -0.52 -0.62 2.47 -1.26 -3.64 119.74 112.47 2yto s LYS 14 Ca 0.43 0.67 -0.28 0.00 -1.56 0.00 0.00 55.97 55.24 2yto s LYS 14 Cb -0.05 0.22 -0.00 0.00 -1.46 0.00 0.00 37.83 36.53 2yto s LYS 14 CO 0.27 -0.09 1.64 0.00 0.16 0.00 0.00 175.35 177.33 2yto n SER 16 N 10.70 5.49 0.02 0.00 3.41 -1.26 -2.84 113.62 129.14 2yto n SER 16 Ca 0.17 -2.55 0.00 0.00 -0.26 0.00 0.00 58.87 56.23 2yto n SER 16 Cb 0.50 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 2yto n SER 16 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2yto n ASP 17 N 1.72 0.08 -0.02 4.04 2.03 -1.26 -4.97 116.55 118.16 2yto n ASP 17 Ca 0.22 0.05 -0.04 0.00 0.52 0.00 0.00 54.79 55.54 2yto n ASP 17 Cb 0.67 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.05 2yto n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2yto n GLY 19 N 3.06 0.29 2.80 0.00 0.00 -1.13 -5.11 105.19 105.09 2yto n GLY 19 Ca -0.09 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 2yto n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yto s LYS 20 N 0.00 0.59 0.25 1.61 2.20 -1.25 -4.98 119.74 118.17 2yto s LYS 20 Ca 0.00 0.07 -0.03 0.00 -0.36 0.00 0.00 55.97 55.65 2yto s LYS 20 Cb 0.00 -0.87 -0.05 0.00 -1.51 0.00 0.00 37.83 35.41 2yto s LYS 20 CO 0.00 -0.24 0.48 0.00 -0.36 0.00 0.00 175.35 175.23 2yto s ALA 21 N 1.65 3.72 0.26 3.13 0.00 -1.26 -0.52 121.76 128.74 2yto s ALA 21 Ca -0.00 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.27 2yto s ALA 21 Cb -0.13 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 2yto s ALA 21 CO -0.04 0.31 0.13 -0.06 0.00 0.00 0.00 175.76 176.11 2yto s PHE 22 N -2.00 1.47 -0.25 0.00 0.40 -1.24 -4.97 117.98 111.38 2yto s PHE 22 Ca 0.41 -1.31 0.03 0.00 -0.60 0.00 0.00 56.93 55.46 2yto s PHE 22 Cb -0.11 -0.79 -0.17 0.00 0.51 0.00 0.00 43.02 42.46 2yto s PHE 22 CO 0.30 -0.49 -0.21 2.41 0.70 0.00 0.00 175.22 177.93 2yto n THR 23 N -0.46 1.46 -3.52 0.64 -1.04 -1.26 -3.99 114.28 106.11 2yto n THR 23 Ca 0.01 -0.58 -0.21 0.00 -2.04 0.00 0.00 64.05 61.23 2yto n THR 23 Cb 0.66 -1.36 -0.02 0.00 -1.82 0.00 0.00 70.33 67.79 2yto n THR 23 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2yto s ARG 24 N -2.51 2.49 -0.07 -2.82 1.81 -1.26 -4.81 118.95 111.78 2yto s ARG 24 Ca -0.33 -1.60 -0.20 0.00 -1.72 0.00 0.00 55.73 51.87 2yto s ARG 24 Cb 0.09 -2.38 -0.16 0.00 -0.45 0.00 0.00 34.95 32.04 2yto s ARG 24 CO 0.60 -0.33 0.78 -0.22 -0.68 0.00 0.00 175.30 175.45 2yto h LYS 25 N 0.88 -0.14 -0.57 3.54 1.63 -2.01 -3.33 116.57 116.57 2yto h LYS 25 Ca -0.39 0.01 0.10 0.00 -0.85 0.00 0.00 60.65 59.51 2yto h LYS 25 Cb 1.28 0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 32.86 2yto h LYS 25 CO 0.55 0.35 0.14 1.03 -3.45 0.00 0.00 179.45 178.07 2yto h SER 26 N -0.88 0.05 -0.99 4.20 0.87 -1.98 -1.31 113.55 113.50 2yto h SER 26 Ca -0.01 0.10 0.37 0.00 -1.23 0.00 0.00 61.79 61.01 2yto h SER 26 Cb 0.55 0.12 -0.18 0.00 -0.44 0.00 0.00 62.40 62.46 2yto h SER 26 CO 0.02 0.04 0.42 1.23 -0.53 0.00 0.00 176.83 178.01 2yto h GLY 27 N 0.28 1.99 0.53 5.77 0.00 -1.99 0.18 103.07 109.83 2yto h GLY 27 Ca 0.29 -0.09 -0.17 0.00 0.00 0.00 0.00 47.33 47.37 2yto h GLY 27 CO -0.36 -0.69 -0.76 -2.00 0.00 0.00 0.00 176.54 172.73 2yto h LEU 28 N 0.05 0.36 -0.57 3.11 5.85 -1.39 -3.02 115.31 119.71 2yto h LEU 28 Ca 0.77 -0.94 0.12 0.00 0.84 0.00 0.00 57.88 58.67 2yto h LEU 28 Cb 1.91 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 42.72 2yto h LEU 28 CO -0.78 1.36 -0.07 0.45 -0.34 0.00 0.00 178.44 179.06 2yto h HIS 29 N -0.49 -0.17 -0.23 1.25 3.86 -0.07 -0.30 115.15 118.99 2yto h HIS 29 Ca -0.14 0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 2yto h HIS 29 Cb 1.54 0.17 -0.01 0.00 1.06 0.00 0.00 27.41 30.16 2yto h HIS 29 CO 0.20 -0.20 0.05 0.82 0.86 0.00 0.00 177.93 179.66 2yto h ILE 30 N 0.05 1.22 -0.82 2.45 2.04 -1.03 -2.78 117.51 118.64 2yto h ILE 30 Ca 0.28 -0.73 0.17 0.00 1.00 0.00 0.00 64.86 65.59 2yto h ILE 30 Cb 0.45 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 37.72 2yto h ILE 30 CO -0.54 0.23 0.55 -0.74 0.00 0.00 0.00 178.15 177.65 2yto h HIS 31 N 0.20 0.53 -0.02 1.37 2.76 -1.14 -1.42 115.15 117.42 2yto h HIS 31 Ca 0.07 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2yto h HIS 31 Cb 0.30 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.10 2yto h HIS 31 CO 0.02 0.18 0.02 1.96 -1.30 0.00 0.00 177.93 178.80 2yto h GLN 32 N 0.44 0.03 -0.74 5.26 1.08 -0.80 -3.05 115.11 117.32 2yto h GLN 32 Ca 0.42 -0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.72 2yto h GLN 32 Cb 0.96 -0.01 -0.12 0.00 -0.05 0.00 0.00 27.48 28.27 2yto h GLN 32 CO -0.15 0.07 -0.31 1.04 -0.95 0.00 0.00 178.83 178.53 2yto n GLN 33 N -5.05 -0.19 -0.23 1.46 1.13 -0.53 0.89 117.38 114.85 2yto n GLN 33 Ca -0.07 1.14 -0.02 0.00 -1.94 0.00 0.00 57.00 56.11 2yto n GLN 33 Cb 0.05 -1.69 0.04 0.00 0.11 0.00 0.00 30.24 28.75 2yto n GLN 33 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2yto h SER 34 N 0.00 -0.97 -0.96 1.08 4.64 -1.63 0.69 113.55 116.40 2yto h SER 34 Ca 0.24 0.23 0.26 0.00 -0.47 0.00 0.00 61.79 62.05 2yto h SER 34 Cb 0.43 0.53 -0.05 0.00 -0.31 0.00 0.00 62.40 63.00 2yto h SER 34 CO -0.73 -0.28 0.67 0.45 -0.87 0.00 0.00 176.83 176.07 2yto h HIS 35 N -0.09 0.20 -2.28 4.77 3.86 0.39 -3.26 115.15 118.75 2yto h HIS 35 Ca 0.29 0.01 -0.71 0.00 -1.16 0.00 0.00 60.37 58.80 2yto h HIS 35 Cb 0.55 -0.06 -0.17 0.00 1.06 0.00 0.00 27.41 28.78 2yto h HIS 35 CO -0.63 0.04 1.05 0.99 0.86 0.00 0.00 177.93 180.24 2yto s THR 36 N -5.13 4.82 0.00 2.45 2.01 0.24 -4.50 115.64 115.53 2yto s THR 36 Ca -0.06 -1.96 0.00 0.00 0.31 0.00 0.00 61.69 59.98 2yto s THR 36 Cb 0.22 -4.84 0.00 0.00 0.01 0.00 0.00 72.50 67.90 2yto s THR 36 CO 0.78 -1.56 0.00 0.61 -0.69 0.00 0.00 174.62 173.76 2yto n GLY 37 N 5.01 -1.46 1.14 4.40 0.00 -1.23 -4.95 105.19 108.09 2yto n GLY 37 Ca 0.29 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.99 2yto n GLY 37 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2yto n GLU 38 N 0.00 0.00 -2.20 1.61 2.13 -1.26 -4.91 120.64 116.01 2yto n GLU 38 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 2yto n GLU 38 Cb 0.00 -0.41 -0.05 0.00 0.27 0.00 0.00 31.44 31.25 2yto n GLU 38 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2yto s ARG 39 N -1.91 2.87 -0.30 5.31 0.52 -1.26 -4.64 118.95 119.54 2yto s ARG 39 Ca 0.00 -1.14 0.14 0.00 -0.52 0.00 0.00 55.73 54.21 2yto s ARG 39 Cb 0.00 -5.27 0.48 0.00 0.52 0.00 0.00 34.95 30.67 2yto s ARG 39 CO 0.00 -3.40 1.12 -2.39 0.02 0.00 0.00 175.30 170.65 2yto n HIS 40 N 12.75 2.07 -3.60 -0.53 1.44 -1.26 -4.37 115.22 121.72 2yto n HIS 40 Ca 0.44 -2.35 -0.10 0.00 -2.01 0.00 0.00 57.72 53.70 2yto n HIS 40 Cb 0.47 -0.27 -0.02 0.00 0.12 0.00 0.00 29.99 30.29 2yto n HIS 40 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 2yto s SER 41 N -3.62 -0.43 0.00 4.39 1.04 -1.26 -5.07 113.70 108.74 2yto s SER 41 Ca 0.39 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2yto s SER 41 Cb 0.38 0.63 0.00 0.00 0.10 0.00 0.00 66.02 67.13 2yto s SER 41 CO -0.02 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.73 2yto n GLY 42 N -0.40 -0.45 3.77 7.32 0.00 -1.26 -5.15 105.19 109.02 2yto n GLY 42 Ca -0.11 0.44 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 2yto n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yto s PRO 43 N 0.50 2.88 0.32 1.61 0.04 -1.26 -5.06 135.00 134.02 2yto s PRO 43 Ca 0.00 1.42 0.07 0.00 0.04 0.00 0.00 61.00 62.54 2yto s PRO 43 Cb 0.00 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 2yto s PRO 43 CO 0.00 -1.19 0.25 -1.12 0.04 0.00 0.00 177.00 174.98 2yto s SER 44 N -2.47 5.27 0.24 6.66 0.01 -1.26 -5.10 113.70 117.05 2yto s SER 44 Ca 0.68 -0.47 -0.28 0.00 1.31 0.00 0.00 55.95 57.19 2yto s SER 44 Cb -0.21 -1.04 -0.09 0.00 0.21 0.00 0.00 66.02 64.89 2yto s SER 44 CO 0.39 -0.28 0.90 -0.94 0.41 0.00 0.00 173.24 173.73 2yto s SER 45 N -3.94 7.51 0.00 2.44 1.04 -1.26 -5.34 113.70 114.15 2yto s SER 45 Ca 0.39 1.84 0.32 0.00 0.48 0.00 0.00 55.95 58.98 2yto s SER 45 Cb -0.06 -2.57 1.90 0.00 0.10 0.00 0.00 66.02 65.39 2yto s SER 45 CO 0.26 0.12 2.22 0.61 0.98 0.00 0.00 173.24 177.44