#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrj s SER 2 N 0.00 1.81 -0.39 1.61 1.04 -1.26 -5.07 113.70 111.44 2yrj s SER 2 Ca 0.00 -0.98 -0.38 0.00 0.48 0.00 0.00 55.95 55.07 2yrj s SER 2 Cb 0.00 -0.02 -0.14 0.00 0.10 0.00 0.00 66.02 65.96 2yrj s SER 2 CO 0.00 -0.31 2.14 -0.24 0.98 0.00 0.00 173.24 175.81 2yrj n SER 3 N -0.09 1.75 0.00 7.02 2.88 -1.26 -4.88 113.62 119.04 2yrj n SER 3 Ca -0.11 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 2yrj n SER 3 Cb 0.60 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 2yrj n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yrj n GLY 4 N 6.63 1.14 3.24 0.46 0.00 -1.26 -5.08 105.19 110.33 2yrj n GLY 4 Ca 0.44 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.32 2yrj n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yrj s SER 5 N -1.00 1.12 -1.12 1.61 0.01 -1.26 -5.07 113.70 107.99 2yrj s SER 5 Ca 0.00 -1.21 -0.22 0.00 1.31 0.00 0.00 55.95 55.82 2yrj s SER 5 Cb 0.00 0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.34 2yrj s SER 5 CO 0.00 -0.61 1.84 -0.55 0.41 0.00 0.00 173.24 174.33 2yrj s SER 6 N -3.18 5.59 0.06 2.44 0.15 -1.26 -4.92 113.70 112.58 2yrj s SER 6 Ca 0.26 -1.55 -0.26 0.00 0.70 0.00 0.00 55.95 55.11 2yrj s SER 6 Cb 0.06 -2.58 -0.14 0.00 -1.71 0.00 0.00 66.02 61.66 2yrj s SER 6 CO 0.05 -2.43 0.62 0.61 1.20 0.00 0.00 173.24 173.29 2yrj n GLY 7 N 6.12 -0.68 0.21 9.45 0.00 -1.26 -4.84 105.19 114.19 2yrj n GLY 7 Ca 0.43 0.43 -0.11 0.00 0.00 0.00 0.00 46.02 46.77 2yrj n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yrj h THR 8 N 1.59 1.26 -0.80 2.61 1.03 -2.08 -3.44 112.91 113.08 2yrj h THR 8 Ca -0.31 -1.02 0.00 0.00 -0.01 0.00 0.00 66.41 65.08 2yrj h THR 8 Cb 1.07 1.19 0.00 0.00 -1.07 0.00 0.00 68.15 69.34 2yrj h THR 8 CO 0.46 0.34 0.00 0.61 -0.01 0.00 0.00 175.52 176.92 2yrj n GLY 9 N -0.32 -3.18 3.66 2.99 0.00 -1.26 -5.06 105.19 102.02 2yrj n GLY 9 Ca -0.01 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 2yrj n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yrj s GLU 10 N -2.40 2.03 -0.34 1.61 8.01 -1.26 -5.12 118.70 121.22 2yrj s GLU 10 Ca 0.00 -2.21 -0.06 0.00 0.01 0.00 0.00 54.97 52.71 2yrj s GLU 10 Cb 0.00 -1.53 0.05 0.00 -4.31 0.00 0.00 34.13 28.34 2yrj s GLU 10 CO 0.00 -0.18 0.10 0.15 0.01 0.00 0.00 175.26 175.34 2yrj s LYS 11 N -3.78 2.54 0.25 1.61 1.02 -1.26 -4.74 119.74 115.38 2yrj s LYS 11 Ca 0.24 -1.26 0.02 0.00 0.02 0.00 0.00 55.97 54.99 2yrj s LYS 11 Cb 0.07 -3.44 0.31 0.00 -0.52 0.00 0.00 37.83 34.24 2yrj s LYS 11 CO 0.12 -0.71 1.62 -1.00 -0.92 0.00 0.00 175.35 174.47 2yrj h PRO 12 N 8.18 0.39 -6.10 -1.68 0.13 -1.85 -3.43 132.00 127.64 2yrj h PRO 12 Ca -0.22 -0.20 -0.57 0.00 -0.87 0.00 0.00 66.00 64.14 2yrj h PRO 12 Cb 1.08 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.16 2yrj h PRO 12 CO 0.61 0.76 0.53 0.71 -0.23 0.00 0.00 178.00 180.37 2yrj s TYR 13 N -4.12 3.45 -0.10 1.56 1.51 -1.24 -5.00 117.35 113.40 2yrj s TYR 13 Ca -0.06 1.43 -0.00 0.00 -1.01 0.00 0.00 57.07 57.43 2yrj s TYR 13 Cb 0.13 -3.13 0.02 0.00 -0.11 0.00 0.00 41.96 38.87 2yrj s TYR 13 CO 0.80 -0.27 -0.07 0.50 -1.11 0.00 0.00 175.55 175.40 2yrj s ARG 14 N 2.25 1.44 0.72 -0.62 3.52 -1.26 -1.39 118.95 123.60 2yrj s ARG 14 Ca 0.43 -0.23 -0.16 0.00 -0.13 0.00 0.00 55.73 55.64 2yrj s ARG 14 Cb -0.17 -1.49 -0.06 0.00 -1.56 0.00 0.00 34.95 31.67 2yrj s ARG 14 CO 0.14 -0.23 0.33 0.00 -0.81 0.00 0.00 175.30 174.72 2yrj n GLY 16 N 1.91 -0.87 0.09 0.00 0.00 -1.26 -3.30 105.19 101.76 2yrj n GLY 16 Ca 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 2yrj n GLY 16 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2yrj h GLU 17 N 0.00 -0.21 0.07 1.61 4.57 -1.99 -3.39 114.58 115.24 2yrj h GLU 17 Ca -0.55 0.01 -0.33 0.00 -1.18 0.00 0.00 59.36 57.31 2yrj h GLU 17 Cb 2.18 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 30.78 2yrj h GLU 17 CO 0.01 -0.14 -1.85 0.00 -1.18 0.00 0.00 179.01 175.85 2yrj n GLY 19 N 1.79 1.78 2.12 0.00 0.00 -1.21 -5.05 105.19 104.63 2yrj n GLY 19 Ca -0.35 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 2yrj n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yrj n LYS 20 N -0.19 -3.61 -3.77 1.61 5.02 -1.26 -4.45 118.16 111.51 2yrj n LYS 20 Ca 0.00 -0.99 -0.10 0.00 -2.02 0.00 0.00 58.31 55.20 2yrj n LYS 20 Cb 0.00 -1.21 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 2yrj n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2yrj s ALA 21 N -2.26 -0.50 -0.27 7.82 0.00 -1.26 0.16 121.76 125.45 2yrj s ALA 21 Ca 0.44 -0.37 -0.24 0.00 0.00 0.00 0.00 51.96 51.80 2yrj s ALA 21 Cb -0.07 0.54 0.07 0.00 0.00 0.00 0.00 23.12 23.66 2yrj s ALA 21 CO 0.37 -0.54 0.71 -0.06 0.00 0.00 0.00 175.76 176.23 2yrj s PHE 22 N -3.71 -0.81 0.32 0.00 0.40 -0.49 -4.95 117.98 108.74 2yrj s PHE 22 Ca 0.03 1.93 0.01 0.00 -0.60 0.00 0.00 56.93 58.30 2yrj s PHE 22 Cb 0.03 0.30 0.54 0.00 0.51 0.00 0.00 43.02 44.40 2yrj s PHE 22 CO -0.11 -0.39 1.96 0.00 0.70 0.00 0.00 175.22 177.38 2yrj h ALA 23 N 5.18 1.44 -2.18 5.36 0.00 -1.87 -3.30 119.26 123.89 2yrj h ALA 23 Ca -0.29 -0.08 -0.61 0.00 0.00 0.00 0.00 54.91 53.93 2yrj h ALA 23 Cb 1.17 -0.26 -0.14 0.00 0.00 0.00 0.00 17.79 18.55 2yrj h ALA 23 CO 0.06 0.48 -0.75 -0.65 0.00 0.00 0.00 179.25 178.39 2yrj s GLN 24 N -5.65 1.68 -0.03 0.00 1.11 -1.26 -4.74 119.66 110.77 2yrj s GLN 24 Ca -0.10 -1.78 -0.24 0.00 0.01 0.00 0.00 55.36 53.25 2yrj s GLN 24 Cb 0.17 -1.74 -0.18 0.00 -1.01 0.00 0.00 33.01 30.24 2yrj s GLN 24 CO 0.78 0.31 1.09 0.87 0.01 0.00 0.00 175.29 178.34 2yrj h LYS 25 N 2.25 -0.14 -1.59 2.91 1.79 -1.99 -3.07 116.57 116.73 2yrj h LYS 25 Ca -0.40 0.01 0.48 0.00 -2.18 0.00 0.00 60.65 58.55 2yrj h LYS 25 Cb 1.26 0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 31.85 2yrj h LYS 25 CO 0.61 0.33 1.11 0.00 -1.08 0.00 0.00 179.45 180.42 2yrj h ALA 26 N 0.07 3.33 0.05 3.86 0.00 -1.98 1.81 119.26 126.39 2yrj h ALA 26 Ca -0.01 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 2yrj h ALA 26 Cb 0.53 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2yrj h ALA 26 CO 0.02 -1.86 -1.03 -0.97 0.00 0.00 0.00 179.25 175.41 2yrj h ASN 27 N 0.04 0.29 0.01 0.00 -0.73 -1.96 -3.15 115.58 110.08 2yrj h ASN 27 Ca 0.82 -0.27 -0.00 0.00 1.87 0.00 0.00 56.30 58.71 2yrj h ASN 27 Cb 3.04 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 41.54 2yrj h ASN 27 CO -0.14 1.15 -0.00 0.25 -0.37 0.00 0.00 177.43 178.31 2yrj h LEU 28 N 0.09 -0.01 -0.91 0.34 5.85 0.26 -3.12 115.31 117.81 2yrj h LEU 28 Ca -0.07 -0.65 0.23 0.00 0.84 0.00 0.00 57.88 58.23 2yrj h LEU 28 Cb 1.72 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.63 2yrj h LEU 28 CO 0.16 0.81 0.39 0.74 -0.34 0.00 0.00 178.44 180.20 2yrj h THR 29 N -0.99 0.43 0.00 1.05 2.02 -0.48 0.83 112.91 115.77 2yrj h THR 29 Ca -0.00 -0.13 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 2yrj h THR 29 Cb 0.66 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 2yrj h THR 29 CO 0.00 0.07 -0.34 0.06 0.37 0.00 0.00 175.52 175.68 2yrj h GLN 30 N 0.37 0.00 -0.13 6.66 3.07 -1.66 -3.06 115.11 120.36 2yrj h GLN 30 Ca 0.58 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 59.21 2yrj h GLN 30 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.70 2yrj h GLN 30 CO -0.56 0.34 -0.35 1.25 0.09 0.00 0.00 178.83 179.60 2yrj h HIS 31 N 0.00 0.61 -0.85 0.06 2.76 0.68 -3.10 115.15 115.31 2yrj h HIS 31 Ca -0.00 -0.24 0.25 0.00 -2.20 0.00 0.00 60.37 58.17 2yrj h HIS 31 Cb 0.70 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.52 2yrj h HIS 31 CO 0.00 0.97 0.64 1.96 -1.30 0.00 0.00 177.93 180.20 2yrj h GLN 32 N 0.07 0.00 -0.26 5.26 4.20 -1.07 0.22 115.11 123.52 2yrj h GLN 32 Ca -0.01 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.78 2yrj h GLN 32 Cb 0.97 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 2yrj h GLN 32 CO 0.08 0.00 0.42 0.00 -0.67 0.00 0.00 178.83 178.66 2yrj h ARG 33 N 0.00 0.00 -0.23 1.46 3.08 -1.59 0.29 114.38 117.39 2yrj h ARG 33 Ca 0.40 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.33 2yrj h ARG 33 Cb 1.67 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.71 2yrj h ARG 33 CO -0.00 0.00 -0.39 -0.84 -1.07 0.00 0.00 179.97 177.67 2yrj h ILE 34 N 0.00 1.30 0.15 2.04 3.07 -0.76 -3.25 117.51 120.06 2yrj h ILE 34 Ca 0.12 -1.54 -0.28 0.00 1.55 0.00 0.00 64.86 64.72 2yrj h ILE 34 Cb 0.97 1.55 0.01 0.00 -0.27 0.00 0.00 36.82 39.08 2yrj h ILE 34 CO -0.00 0.48 -1.33 0.45 -1.05 0.00 0.00 178.15 176.70 2yrj h HIS 35 N 0.43 0.60 -3.22 0.16 3.86 -0.64 -3.45 115.15 112.89 2yrj h HIS 35 Ca 0.04 -0.43 -0.54 0.00 -1.16 0.00 0.00 60.37 58.27 2yrj h HIS 35 Cb 0.87 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.30 2yrj h HIS 35 CO 0.03 1.52 0.56 0.95 0.86 0.00 0.00 177.93 181.85 2yrj s THR 36 N -2.50 4.38 -0.19 2.45 -4.23 -0.61 -4.12 115.64 110.82 2yrj s THR 36 Ca -0.16 1.70 -0.00 0.00 -1.18 0.00 0.00 61.69 62.05 2yrj s THR 36 Cb 0.04 -4.09 -0.00 0.00 1.34 0.00 0.00 72.50 69.78 2yrj s THR 36 CO 0.82 0.08 0.17 0.61 -0.54 0.00 0.00 174.62 175.76 2yrj n GLY 37 N 3.18 -0.21 3.70 3.99 0.00 -1.26 -4.77 105.19 109.80 2yrj n GLY 37 Ca 0.09 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2yrj n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yrj s GLU 38 N -3.10 4.14 0.08 1.61 2.56 -1.26 -5.01 118.70 117.73 2yrj s GLU 38 Ca 0.03 -0.18 0.02 0.00 0.00 0.00 0.00 54.97 54.84 2yrj s GLU 38 Cb -0.00 -3.48 -0.04 0.00 2.00 0.00 0.00 34.13 32.61 2yrj s GLU 38 CO 0.17 0.17 0.15 -1.59 -0.56 0.00 0.00 175.26 173.59 2yrj s LYS 39 N 0.74 3.16 -1.17 4.30 0.00 -1.26 -5.02 119.74 120.50 2yrj s LYS 39 Ca 0.09 -0.58 -0.23 0.00 0.00 0.00 0.00 55.97 55.26 2yrj s LYS 39 Cb -0.13 -2.88 -0.09 0.00 0.00 0.00 0.00 37.83 34.74 2yrj s LYS 39 CO 0.02 0.58 1.94 -1.25 0.00 0.00 0.00 175.35 176.64 2yrj s PRO 40 N -2.49 2.49 -0.48 1.78 0.04 -1.26 -4.87 135.00 130.20 2yrj s PRO 40 Ca 0.32 -1.12 -0.02 0.00 0.04 0.00 0.00 61.00 60.22 2yrj s PRO 40 Cb -0.12 -5.23 0.13 0.00 0.04 0.00 0.00 34.50 29.31 2yrj s PRO 40 CO 0.25 -3.96 0.28 0.45 0.04 0.00 0.00 177.00 174.06 2yrj s SER 41 N 6.59 5.17 0.00 6.66 0.15 -1.26 -5.03 113.70 125.98 2yrj s SER 41 Ca 0.69 -2.36 0.00 0.00 0.70 0.00 0.00 55.95 54.97 2yrj s SER 41 Cb -0.01 -1.82 0.00 0.00 -1.71 0.00 0.00 66.02 62.48 2yrj s SER 41 CO 0.12 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.71 2yrj n GLY 42 N 4.13 1.94 3.77 9.45 0.00 -1.26 -5.16 105.19 118.06 2yrj n GLY 42 Ca 0.02 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 2yrj n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yrj s PRO 43 N -2.00 3.44 -0.18 1.61 0.04 -1.26 -5.00 135.00 131.66 2yrj s PRO 43 Ca 0.00 1.65 -0.19 0.00 0.04 0.00 0.00 61.00 62.49 2yrj s PRO 43 Cb 0.00 -2.09 -0.16 0.00 0.04 0.00 0.00 34.50 32.29 2yrj s PRO 43 CO 0.00 -0.78 0.21 0.77 0.04 0.00 0.00 177.00 177.24 2yrj h SER 44 N 1.38 0.00 -3.94 6.66 0.02 -2.02 -3.46 113.55 112.18 2yrj h SER 44 Ca -0.50 -0.46 -0.51 0.00 -0.84 0.00 0.00 61.79 59.49 2yrj h SER 44 Cb 1.26 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.85 2yrj h SER 44 CO 0.58 1.21 0.51 -0.94 -1.14 0.00 0.00 176.83 177.05 2yrj s SER 45 N -6.46 6.51 0.00 3.07 1.04 -1.26 -5.34 113.70 111.26 2yrj s SER 45 Ca -0.23 2.37 0.00 0.00 0.48 0.00 0.00 55.95 58.58 2yrj s SER 45 Cb 0.03 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2yrj s SER 45 CO 0.50 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.64