#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 6.36 -0.04 1.61 0.15 -1.26 -4.99 113.70 115.53 2yrj s SER 2 Ca 0.00 1.73 0.04 0.00 0.70 0.00 0.00 55.95 58.41 2yrj s SER 2 Cb 0.00 -2.53 -0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2yrj s SER 2 CO 0.00 -1.26 -0.14 -0.94 1.20 0.00 0.00 173.24 172.10 2yrj s SER 3 N 4.39 1.77 -0.43 5.45 1.04 -1.26 -5.05 113.70 119.62 2yrj s SER 3 Ca 0.74 -0.28 0.08 0.00 0.48 0.00 0.00 55.95 56.96 2yrj s SER 3 Cb -0.27 -0.49 0.36 0.00 0.10 0.00 0.00 66.02 65.72 2yrj s SER 3 CO 0.30 0.12 1.20 0.61 0.98 0.00 0.00 173.24 176.45 2yrj n GLY 4 N 3.21 1.05 3.05 7.32 0.00 -1.26 -5.14 105.19 113.43 2yrj n GLY 4 Ca -0.18 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.34 0.15 -0.06 1.61 0.01 -1.26 -5.15 113.70 107.65 2yrj s SER 5 Ca 0.23 -0.40 -0.14 0.00 1.31 0.00 0.00 55.95 56.95 2yrj s SER 5 Cb 0.34 0.16 -0.05 0.00 0.21 0.00 0.00 66.02 66.68 2yrj s SER 5 CO -0.07 -0.36 0.37 -0.55 0.41 0.00 0.00 173.24 173.04 2yrj s SER 6 N -1.55 6.68 0.00 2.44 0.15 -1.26 -4.78 113.70 115.38 2yrj s SER 6 Ca -0.14 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.32 2yrj s SER 6 Cb -0.08 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 2yrj s SER 6 CO -0.01 0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.28 2yrj n GLY 7 N 2.37 -1.36 3.12 9.45 0.00 -1.26 -5.07 105.19 112.44 2yrj n GLY 7 Ca -0.13 0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.98 2yrj n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yrj s THR 8 N 0.00 3.23 -0.26 2.61 -4.23 -1.26 -5.05 115.64 110.67 2yrj s THR 8 Ca 0.00 -2.03 -0.17 0.00 -1.18 0.00 0.00 61.69 58.31 2yrj s THR 8 Cb 0.00 -3.20 0.07 0.00 1.34 0.00 0.00 72.50 70.71 2yrj s THR 8 CO 0.00 -0.66 0.66 -0.83 -0.54 0.00 0.00 174.62 173.25 2yrj s GLY 9 N 1.75 -0.58 0.14 3.99 0.00 -1.26 -5.13 107.32 106.23 2yrj s GLY 9 Ca 0.08 2.23 -0.02 0.00 0.00 0.00 0.00 44.72 47.00 2yrj s GLY 9 CO -0.04 2.18 0.09 -0.54 0.00 0.00 0.00 173.10 174.79 2yrj s GLU 10 N 1.37 0.97 -0.33 2.90 0.41 -1.26 -5.14 118.70 117.62 2yrj s GLU 10 Ca -0.08 -1.41 -0.04 0.00 -0.41 0.00 0.00 54.97 53.03 2yrj s GLU 10 Cb -0.05 0.26 0.05 0.00 -1.78 0.00 0.00 34.13 32.61 2yrj s GLU 10 CO -0.15 -0.29 0.06 0.15 -0.49 0.00 0.00 175.26 174.54 2yrj s LYS 11 N -4.04 2.47 0.24 1.61 1.02 -1.26 -4.73 119.74 115.04 2yrj s LYS 11 Ca 0.24 -1.29 0.01 0.00 0.02 0.00 0.00 55.97 54.95 2yrj s LYS 11 Cb 0.07 -3.33 0.28 0.00 -0.52 0.00 0.00 37.83 34.32 2yrj s LYS 11 CO 0.02 -0.68 1.61 -1.00 -0.92 0.00 0.00 175.35 174.38 2yrj h PRO 12 N 8.09 0.44 -6.06 -1.68 0.13 -1.87 -3.43 132.00 127.61 2yrj h PRO 12 Ca -0.21 -0.23 -0.57 0.00 -0.87 0.00 0.00 66.00 64.12 2yrj h PRO 12 Cb 1.07 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.15 2yrj h PRO 12 CO 0.58 0.80 0.52 0.71 -0.23 0.00 0.00 178.00 180.37 2yrj s TYR 13 N -4.14 3.43 -0.09 1.56 1.51 -1.24 -5.01 117.35 113.38 2yrj s TYR 13 Ca -0.06 1.40 0.01 0.00 -1.01 0.00 0.00 57.07 57.40 2yrj s TYR 13 Cb 0.12 -3.11 0.02 0.00 -0.11 0.00 0.00 41.96 38.88 2yrj s TYR 13 CO 0.81 -0.28 -0.09 0.50 -1.11 0.00 0.00 175.55 175.37 2yrj s ARG 14 N 2.30 1.58 0.78 -0.62 3.52 -1.26 -1.41 118.95 123.83 2yrj s ARG 14 Ca 0.42 -0.32 -0.15 0.00 -0.13 0.00 0.00 55.73 55.55 2yrj s ARG 14 Cb -0.17 -1.49 -0.02 0.00 -1.56 0.00 0.00 34.95 31.71 2yrj s ARG 14 CO 0.13 -0.14 0.50 0.00 -0.81 0.00 0.00 175.30 174.98 2yrj n GLY 16 N 1.62 -0.81 0.13 0.00 0.00 -1.26 -3.35 105.19 101.53 2yrj n GLY 16 Ca 0.09 -0.28 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.32 0.06 1.61 4.57 -1.99 -3.39 114.58 115.12 2yrj h GLU 17 Ca -0.53 0.02 -0.35 0.00 -1.18 0.00 0.00 59.36 57.32 2yrj h GLU 17 Cb 2.11 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 30.74 2yrj h GLU 17 CO 0.00 -0.21 -1.98 0.00 -1.18 0.00 0.00 179.01 175.64 2yrj n GLY 19 N 1.83 1.77 3.29 0.00 0.00 -1.21 -5.05 105.19 105.81 2yrj n GLY 19 Ca -0.37 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 2yrj n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yrj s LYS 20 N -0.02 -3.05 0.08 1.61 1.02 -1.26 -4.41 119.74 113.71 2yrj s LYS 20 Ca 0.00 0.15 -0.07 0.00 0.02 0.00 0.00 55.97 56.06 2yrj s LYS 20 Cb 0.00 -1.36 -0.01 0.00 -0.52 0.00 0.00 37.83 35.94 2yrj s LYS 20 CO 0.00 -4.96 0.15 0.00 -0.92 0.00 0.00 175.35 169.62 2yrj s ALA 21 N -2.24 -0.11 -0.20 5.17 0.00 -1.26 0.98 121.76 124.11 2yrj s ALA 21 Ca 0.68 -0.69 -0.26 0.00 0.00 0.00 0.00 51.96 51.69 2yrj s ALA 21 Cb -0.13 0.44 0.07 0.00 0.00 0.00 0.00 23.12 23.49 2yrj s ALA 21 CO 0.58 -0.48 0.68 -0.06 0.00 0.00 0.00 175.76 176.49 2yrj s PHE 22 N -3.78 -0.72 0.31 0.00 0.40 -0.50 -4.95 117.98 108.74 2yrj s PHE 22 Ca 0.05 1.62 0.07 0.00 -0.60 0.00 0.00 56.93 58.06 2yrj s PHE 22 Cb 0.05 0.30 0.53 0.00 0.51 0.00 0.00 43.02 44.41 2yrj s PHE 22 CO -0.10 -0.44 1.75 0.00 0.70 0.00 0.00 175.22 177.13 2yrj h ALA 23 N 4.43 1.20 -4.16 5.36 0.00 -1.87 -3.30 119.26 120.93 2yrj h ALA 23 Ca -0.28 -0.35 -0.60 0.00 0.00 0.00 0.00 54.91 53.67 2yrj h ALA 23 Cb 1.16 -0.09 -0.27 0.00 0.00 0.00 0.00 17.79 18.59 2yrj h ALA 23 CO 0.17 0.53 -0.85 -0.65 0.00 0.00 0.00 179.25 178.45 2yrj s GLN 24 N -4.32 1.50 0.10 0.00 1.11 -1.26 -4.79 119.66 111.99 2yrj s GLN 24 Ca -0.05 -0.93 -0.25 0.00 0.01 0.00 0.00 55.36 54.14 2yrj s GLN 24 Cb 0.14 -1.59 -0.11 0.00 -1.01 0.00 0.00 33.01 30.44 2yrj s GLN 24 CO 0.76 0.41 1.69 0.87 0.01 0.00 0.00 175.29 179.03 2yrj h LYS 25 N 4.99 -0.27 -1.71 2.91 1.79 -1.99 -1.75 116.57 120.55 2yrj h LYS 25 Ca -0.42 0.02 0.50 0.00 -2.18 0.00 0.00 60.65 58.56 2yrj h LYS 25 Cb 1.15 0.06 -0.08 0.00 -1.58 0.00 0.00 32.23 31.79 2yrj h LYS 25 CO 0.44 -0.18 1.22 0.00 -1.08 0.00 0.00 179.45 179.85 2yrj h ALA 26 N 0.59 3.56 0.08 3.86 0.00 -1.99 1.87 119.26 127.24 2yrj h ALA 26 Ca 0.01 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 2yrj h ALA 26 Cb 0.28 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2yrj h ALA 26 CO -0.06 -2.08 -1.16 -0.97 0.00 0.00 0.00 179.25 174.99 2yrj h ASN 27 N 0.01 0.28 0.01 0.00 -0.73 -1.74 -3.16 115.58 110.24 2yrj h ASN 27 Ca 0.83 -0.30 -0.01 0.00 1.87 0.00 0.00 56.30 58.69 2yrj h ASN 27 Cb 3.26 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 41.76 2yrj h ASN 27 CO -0.05 1.23 -0.06 0.25 -0.37 0.00 0.00 177.43 178.43 2yrj h LEU 28 N 0.05 0.04 -0.89 0.34 5.85 0.29 -3.16 115.31 117.82 2yrj h LEU 28 Ca -0.09 -0.92 0.17 0.00 0.84 0.00 0.00 57.88 57.88 2yrj h LEU 28 Cb 1.90 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 42.82 2yrj h LEU 28 CO 0.18 0.95 0.47 0.74 -0.34 0.00 0.00 178.44 180.45 2yrj h THR 29 N -0.87 0.69 0.00 1.05 2.02 -0.57 0.53 112.91 115.75 2yrj h THR 29 Ca -0.01 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 2yrj h THR 29 Cb 0.97 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2yrj h THR 29 CO 0.01 0.11 -0.06 0.06 0.37 0.00 0.00 175.52 176.02 2yrj h GLN 30 N 0.63 0.00 0.15 6.66 3.07 -1.65 -3.02 115.11 120.96 2yrj h GLN 30 Ca 0.51 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 59.04 2yrj h GLN 30 Cb 0.77 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.35 2yrj h GLN 30 CO -0.39 0.06 -0.93 1.25 0.09 0.00 0.00 178.83 178.91 2yrj h HIS 31 N 0.00 0.59 -0.90 0.06 2.76 0.03 -3.29 115.15 114.40 2yrj h HIS 31 Ca -0.00 -0.43 0.26 0.00 -2.20 0.00 0.00 60.37 58.00 2yrj h HIS 31 Cb 0.49 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.39 2yrj h HIS 31 CO 0.00 1.36 0.65 1.96 -1.30 0.00 0.00 177.93 180.60 2yrj h GLN 32 N -0.31 0.00 -0.34 5.26 4.20 -1.05 0.23 115.11 123.10 2yrj h GLN 32 Ca -0.17 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.64 2yrj h GLN 32 Cb 1.71 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.47 2yrj h GLN 32 CO 0.16 0.00 0.44 0.00 -0.67 0.00 0.00 178.83 178.76 2yrj h ARG 33 N 0.00 0.00 -0.31 1.46 3.08 -1.62 0.23 114.38 117.21 2yrj h ARG 33 Ca 0.43 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.37 2yrj h ARG 33 Cb 1.73 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.77 2yrj h ARG 33 CO -0.00 0.00 -0.24 -0.84 -1.07 0.00 0.00 179.97 177.82 2yrj h ILE 34 N 0.00 1.27 -0.08 2.04 3.07 -0.76 -2.28 117.51 120.77 2yrj h ILE 34 Ca 0.16 -1.30 0.00 0.00 1.55 0.00 0.00 64.86 65.27 2yrj h ILE 34 Cb 1.03 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 38.87 2yrj h ILE 34 CO -0.00 0.42 0.00 1.41 -1.05 0.00 0.00 178.15 178.93 2yrj n HIS 35 N -4.12 0.15 -4.72 0.16 8.25 0.79 -4.73 115.22 111.00 2yrj n HIS 35 Ca -0.00 -0.06 -0.30 0.00 -0.26 0.00 0.00 57.72 57.09 2yrj n HIS 35 Cb 0.42 -0.05 -0.17 0.00 1.12 0.00 0.00 29.99 31.31 2yrj n HIS 35 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2yrj s THR 36 N -1.66 1.76 0.00 1.59 -4.23 -0.86 -4.96 115.64 107.28 2yrj s THR 36 Ca 0.06 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 2yrj s THR 36 Cb 0.03 -1.56 0.00 0.00 1.34 0.00 0.00 72.50 72.31 2yrj s THR 36 CO 0.03 0.49 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 2yrj n GLY 37 N 3.95 1.50 3.02 3.99 0.00 -1.26 -4.97 105.19 111.42 2yrj n GLY 37 Ca -0.20 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 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 0.00 2.28 0.16 1.61 2.12 -1.26 -5.13 118.70 118.48 2yrj s GLU 38 Ca 0.00 -0.65 -0.05 0.00 0.36 0.00 0.00 54.97 54.63 2yrj s GLU 38 Cb 0.00 -2.22 -0.06 0.00 0.26 0.00 0.00 34.13 32.11 2yrj s GLU 38 CO 0.00 -0.29 0.40 -1.59 -0.54 0.00 0.00 175.26 173.25 2yrj s LYS 39 N 1.45 3.63 -0.78 4.30 -2.85 -1.26 -5.01 119.74 119.22 2yrj s LYS 39 Ca 0.03 -0.06 -0.25 0.00 -1.00 0.00 0.00 55.97 54.69 2yrj s LYS 39 Cb -0.14 -2.82 -0.04 0.00 -2.06 0.00 0.00 37.83 32.78 2yrj s LYS 39 CO -0.10 0.44 1.91 -1.25 0.10 0.00 0.00 175.35 176.45 2yrj s PRO 40 N -2.74 2.58 0.70 1.78 0.04 -1.26 -4.97 135.00 131.14 2yrj s PRO 40 Ca 0.42 0.09 -0.15 0.00 0.04 0.00 0.00 61.00 61.40 2yrj s PRO 40 Cb -0.12 -4.78 0.02 0.00 0.04 0.00 0.00 34.50 29.67 2yrj s PRO 40 CO 0.25 -3.11 1.16 -1.54 0.04 0.00 0.00 177.00 173.80 2yrj s SER 41 N 8.08 4.57 0.00 6.66 1.04 -1.26 -4.85 113.70 127.94 2yrj s SER 41 Ca 0.69 2.18 0.00 0.00 0.48 0.00 0.00 55.95 59.30 2yrj s SER 41 Cb -0.09 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2yrj s SER 41 CO 0.08 -2.00 0.00 0.61 0.98 0.00 0.00 173.24 172.91 2yrj n GLY 42 N -0.04 0.23 3.59 7.32 0.00 -1.26 -4.98 105.19 110.06 2yrj n GLY 42 Ca 0.12 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 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 0.00 3.27 0.23 1.61 0.04 -1.26 -4.97 135.00 133.92 2yrj s PRO 43 Ca 0.00 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.23 2yrj s PRO 43 Cb 0.00 -4.19 -0.05 0.00 0.04 0.00 0.00 34.50 30.30 2yrj s PRO 43 CO 0.00 -1.94 0.11 -1.54 0.04 0.00 0.00 177.00 173.67 2yrj s SER 44 N 5.98 0.76 -0.42 6.66 1.04 -1.26 -5.04 113.70 121.42 2yrj s SER 44 Ca 0.74 -1.38 -0.02 0.00 0.48 0.00 0.00 55.95 55.77 2yrj s SER 44 Cb -0.19 0.25 0.24 0.00 0.10 0.00 0.00 66.02 66.42 2yrj s SER 44 CO 0.31 -0.77 2.15 -1.54 0.98 0.00 0.00 173.24 174.36 2yrj n SER 45 N -0.38 6.73 0.00 7.02 3.41 -1.26 -5.26 113.62 123.88 2yrj n SER 45 Ca 0.01 -3.24 0.00 0.00 -0.26 0.00 0.00 58.87 55.38 2yrj n SER 45 Cb 0.66 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 2yrj n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49