#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrj h SER 2 N 0.00 0.15 -3.29 1.61 0.87 -2.05 -3.46 113.55 107.38 2yrj h SER 2 Ca 0.00 -0.73 -0.67 0.00 -1.23 0.00 0.00 61.79 59.16 2yrj h SER 2 Cb 0.00 -0.05 -0.16 0.00 -0.44 0.00 0.00 62.40 61.75 2yrj h SER 2 CO 0.00 1.48 -0.62 -0.55 -0.53 0.00 0.00 176.83 176.61 2yrj s SER 3 N -6.82 5.27 0.00 6.23 0.15 -1.26 -5.04 113.70 112.22 2yrj s SER 3 Ca -0.24 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2yrj s SER 3 Cb 0.04 -1.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 2yrj s SER 3 CO 0.68 0.33 0.00 0.61 1.20 0.00 0.00 173.24 176.05 2yrj n GLY 4 N 2.49 3.20 3.56 9.45 0.00 -1.26 -5.03 105.19 117.60 2yrj n GLY 4 Ca -0.18 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 2yrj n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yrj s SER 5 N 0.00 6.43 -0.19 1.61 1.04 -1.26 -4.98 113.70 116.35 2yrj s SER 5 Ca 0.00 -0.00 -0.21 0.00 0.48 0.00 0.00 55.95 56.22 2yrj s SER 5 Cb 0.00 -2.52 0.06 0.00 0.10 0.00 0.00 66.02 63.66 2yrj s SER 5 CO 0.00 -1.38 0.57 -0.94 0.98 0.00 0.00 173.24 172.47 2yrj s SER 6 N 2.87 -0.59 0.00 7.02 1.04 -1.26 -5.08 113.70 117.70 2yrj s SER 6 Ca 0.39 1.08 0.00 0.00 0.48 0.00 0.00 55.95 57.90 2yrj s SER 6 Cb -0.09 1.09 0.00 0.00 0.10 0.00 0.00 66.02 67.12 2yrj s SER 6 CO 0.24 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.82 2yrj n GLY 7 N 2.55 0.64 3.27 7.32 0.00 -1.26 -5.10 105.19 112.60 2yrj n GLY 7 Ca -0.14 -0.36 -0.44 0.00 0.00 0.00 0.00 46.02 45.08 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 4.87 0.00 2.61 -4.23 -1.26 -5.02 115.64 112.61 2yrj s THR 8 Ca 0.00 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 2yrj s THR 8 Cb 0.00 -4.12 0.00 0.00 1.34 0.00 0.00 72.50 69.72 2yrj s THR 8 CO 0.00 -0.87 0.00 0.61 -0.54 0.00 0.00 174.62 173.82 2yrj n GLY 9 N 4.78 1.76 3.48 3.99 0.00 -1.26 -4.67 105.19 113.27 2yrj n GLY 9 Ca -0.05 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 1.69 -0.31 1.61 8.01 -1.26 -5.12 118.70 123.32 2yrj s GLU 10 Ca 0.00 -1.82 -0.02 0.00 0.01 0.00 0.00 54.97 53.14 2yrj s GLU 10 Cb 0.00 -1.63 0.05 0.00 -4.31 0.00 0.00 34.13 28.24 2yrj s GLU 10 CO 0.00 0.22 0.02 0.15 0.01 0.00 0.00 175.26 175.66 2yrj s LYS 11 N -3.58 2.44 0.23 1.61 1.02 -1.26 -4.73 119.74 115.47 2yrj s LYS 11 Ca 0.30 -1.27 -0.01 0.00 0.02 0.00 0.00 55.97 55.02 2yrj s LYS 11 Cb -0.01 -3.23 0.23 0.00 -0.52 0.00 0.00 37.83 34.30 2yrj s LYS 11 CO 0.15 -0.64 1.59 -1.00 -0.92 0.00 0.00 175.35 174.53 2yrj h PRO 12 N 8.03 0.51 -6.07 -1.68 0.13 -1.86 -3.43 132.00 127.63 2yrj h PRO 12 Ca -0.21 -0.27 -0.57 0.00 -0.87 0.00 0.00 66.00 64.07 2yrj h PRO 12 Cb 1.06 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.14 2yrj h PRO 12 CO 0.55 0.85 0.60 0.71 -0.23 0.00 0.00 178.00 180.47 2yrj s TYR 13 N -4.18 3.41 -0.10 1.56 1.51 -1.25 -5.00 117.35 113.30 2yrj s TYR 13 Ca -0.07 1.42 0.01 0.00 -1.01 0.00 0.00 57.07 57.42 2yrj s TYR 13 Cb 0.12 -3.16 0.02 0.00 -0.11 0.00 0.00 41.96 38.83 2yrj s TYR 13 CO 0.82 -0.34 -0.10 0.50 -1.11 0.00 0.00 175.55 175.32 2yrj s ARG 14 N 2.55 1.66 0.69 -0.62 3.52 -1.26 -1.39 118.95 124.10 2yrj s ARG 14 Ca 0.43 -0.34 -0.17 0.00 -0.13 0.00 0.00 55.73 55.52 2yrj s ARG 14 Cb -0.16 -1.57 -0.05 0.00 -1.56 0.00 0.00 34.95 31.60 2yrj s ARG 14 CO 0.11 -0.16 0.53 0.00 -0.81 0.00 0.00 175.30 174.97 2yrj n GLY 16 N 1.68 -0.91 0.09 0.00 0.00 -1.26 -3.25 105.19 101.54 2yrj n GLY 16 Ca 0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 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 0.06 1.61 4.57 -1.98 -3.39 114.58 115.24 2yrj h GLU 17 Ca -0.53 0.01 -0.34 0.00 -1.18 0.00 0.00 59.36 57.32 2yrj h GLU 17 Cb 2.18 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 30.79 2yrj h GLU 17 CO 0.02 -0.14 -1.91 0.00 -1.18 0.00 0.00 179.01 175.80 2yrj n GLY 19 N 1.80 1.80 3.32 0.00 0.00 -1.20 -5.05 105.19 105.86 2yrj n GLY 19 Ca -0.36 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.01 -2.85 0.08 1.61 1.02 -1.26 -4.42 119.74 113.91 2yrj s LYS 20 Ca 0.00 0.12 -0.07 0.00 0.02 0.00 0.00 55.97 56.05 2yrj s LYS 20 Cb 0.00 -1.39 -0.01 0.00 -0.52 0.00 0.00 37.83 35.91 2yrj s LYS 20 CO 0.00 -4.82 0.13 0.00 -0.92 0.00 0.00 175.35 169.74 2yrj s ALA 21 N -2.32 -0.00 -0.27 5.17 0.00 -1.26 0.11 121.76 123.19 2yrj s ALA 21 Ca 0.69 -0.80 -0.23 0.00 0.00 0.00 0.00 51.96 51.62 2yrj s ALA 21 Cb -0.13 0.45 0.07 0.00 0.00 0.00 0.00 23.12 23.51 2yrj s ALA 21 CO 0.58 -0.48 0.70 -0.06 0.00 0.00 0.00 175.76 176.50 2yrj s PHE 22 N -3.88 -0.82 0.30 0.00 0.40 -0.48 -4.95 117.98 108.54 2yrj s PHE 22 Ca 0.06 1.94 -0.01 0.00 -0.60 0.00 0.00 56.93 58.32 2yrj s PHE 22 Cb 0.06 0.33 0.46 0.00 0.51 0.00 0.00 43.02 44.38 2yrj s PHE 22 CO -0.10 -0.40 1.92 0.00 0.70 0.00 0.00 175.22 177.34 2yrj h ALA 23 N 5.35 1.35 -2.84 5.36 0.00 -1.87 -3.31 119.26 123.31 2yrj h ALA 23 Ca -0.29 -0.12 -0.63 0.00 0.00 0.00 0.00 54.91 53.88 2yrj h ALA 23 Cb 1.17 -0.27 -0.17 0.00 0.00 0.00 0.00 17.79 18.52 2yrj h ALA 23 CO 0.08 0.52 -0.80 -0.65 0.00 0.00 0.00 179.25 178.39 2yrj s GLN 24 N -5.58 1.54 0.01 0.00 1.11 -1.26 -4.75 119.66 110.73 2yrj s GLN 24 Ca -0.10 -1.59 -0.25 0.00 0.01 0.00 0.00 55.36 53.42 2yrj s GLN 24 Cb 0.17 -1.76 -0.17 0.00 -1.01 0.00 0.00 33.01 30.23 2yrj s GLN 24 CO 0.79 0.36 1.30 0.87 0.01 0.00 0.00 175.29 178.62 2yrj h LYS 25 N 2.90 -0.32 -1.62 2.91 1.79 -1.99 -2.88 116.57 117.35 2yrj h LYS 25 Ca -0.44 0.02 0.48 0.00 -2.18 0.00 0.00 60.65 58.53 2yrj h LYS 25 Cb 1.22 0.07 -0.08 0.00 -1.58 0.00 0.00 32.23 31.87 2yrj h LYS 25 CO 0.52 -0.01 1.15 0.00 -1.08 0.00 0.00 179.45 180.03 2yrj h ALA 26 N -0.01 3.42 0.06 3.86 0.00 -1.98 1.82 119.26 126.42 2yrj h ALA 26 Ca -0.03 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.62 2yrj h ALA 26 Cb 0.46 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2yrj h ALA 26 CO 0.06 -1.94 -1.07 -0.97 0.00 0.00 0.00 179.25 175.33 2yrj h ASN 27 N 0.03 0.28 0.00 0.00 -1.24 -1.93 -3.19 115.58 109.53 2yrj h ASN 27 Ca 0.81 -0.27 -0.00 0.00 0.71 0.00 0.00 56.30 57.55 2yrj h ASN 27 Cb 3.10 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 42.07 2yrj h ASN 27 CO -0.10 1.17 -0.00 0.25 -1.29 0.00 0.00 177.43 177.46 2yrj h LEU 28 N 0.07 -0.00 -0.95 0.34 5.85 0.27 -3.21 115.31 117.68 2yrj h LEU 28 Ca -0.08 -0.61 0.27 0.00 0.84 0.00 0.00 57.88 58.30 2yrj h LEU 28 Cb 1.78 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.67 2yrj h LEU 28 CO 0.17 0.80 0.45 0.74 -0.34 0.00 0.00 178.44 180.26 2yrj h THR 29 N -1.00 0.37 0.00 1.05 2.02 -0.49 1.13 112.91 115.99 2yrj h THR 29 Ca -0.00 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 2yrj h THR 29 Cb 0.61 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2yrj h THR 29 CO 0.00 0.06 -0.28 0.06 0.37 0.00 0.00 175.52 175.73 2yrj h GLN 30 N 0.34 0.00 -0.04 6.66 3.07 -1.67 -3.00 115.11 120.48 2yrj h GLN 30 Ca 0.64 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 59.24 2yrj h GLN 30 Cb 1.34 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.91 2yrj h GLN 30 CO -0.59 0.28 -0.53 1.25 0.09 0.00 0.00 178.83 179.33 2yrj h HIS 31 N 0.00 0.61 -0.76 0.06 2.76 0.13 -3.18 115.15 114.77 2yrj h HIS 31 Ca -0.00 -0.30 0.22 0.00 -2.20 0.00 0.00 60.37 58.08 2yrj h HIS 31 Cb 0.59 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.44 2yrj h HIS 31 CO 0.00 1.10 0.58 1.96 -1.30 0.00 0.00 177.93 180.27 2yrj h GLN 32 N -0.05 0.00 -0.01 5.26 4.20 -1.04 0.22 115.11 123.70 2yrj h GLN 32 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2yrj h GLN 32 Cb 1.22 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 2yrj h GLN 32 CO 0.11 0.00 0.29 0.00 -0.67 0.00 0.00 178.83 178.55 2yrj h ARG 33 N 0.00 0.00 -0.03 1.46 3.08 -1.55 0.26 114.38 117.59 2yrj h ARG 33 Ca 0.36 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.27 2yrj h ARG 33 Cb 1.51 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.55 2yrj h ARG 33 CO -0.00 0.00 -0.64 -0.84 -1.07 0.00 0.00 179.97 177.42 2yrj h ILE 34 N 0.00 1.43 -0.28 2.04 3.07 -0.75 -2.95 117.51 120.06 2yrj h ILE 34 Ca 0.00 -2.12 -0.10 0.00 1.55 0.00 0.00 64.86 64.19 2yrj h ILE 34 Cb 0.57 2.12 -0.06 0.00 -0.27 0.00 0.00 36.82 39.18 2yrj h ILE 34 CO -0.00 0.62 0.12 1.41 -1.05 0.00 0.00 178.15 179.25 2yrj n HIS 35 N -3.81 0.93 -4.17 0.16 8.25 0.90 -4.84 115.22 112.63 2yrj n HIS 35 Ca -0.02 -0.64 -0.14 0.00 -0.26 0.00 0.00 57.72 56.66 2yrj n HIS 35 Cb 0.64 -0.38 -0.11 0.00 1.12 0.00 0.00 29.99 31.26 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 -1.39 0.90 0.00 1.59 -4.23 -1.12 -5.09 115.64 106.31 2yrj s THR 36 Ca 0.20 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 2yrj s THR 36 Cb 0.16 -1.30 0.00 0.00 1.34 0.00 0.00 72.50 72.70 2yrj s THR 36 CO 0.05 -0.54 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 2yrj n GLY 37 N 0.64 1.04 3.68 3.99 0.00 -1.26 -4.77 105.19 108.52 2yrj n GLY 37 Ca -0.17 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 2yrj n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yrj s GLU 38 N 0.00 2.59 0.15 1.61 0.41 -1.26 -5.13 118.70 117.07 2yrj s GLU 38 Ca 0.00 -0.80 0.10 0.00 -0.41 0.00 0.00 54.97 53.86 2yrj s GLU 38 Cb 0.00 -2.56 -0.04 0.00 -1.78 0.00 0.00 34.13 29.75 2yrj s GLU 38 CO 0.00 0.56 -0.23 -1.59 -0.49 0.00 0.00 175.26 173.51 2yrj s LYS 39 N -2.16 1.35 0.40 1.61 0.00 -1.26 -5.13 119.74 114.54 2yrj s LYS 39 Ca 0.25 -1.37 -0.25 0.00 0.00 0.00 0.00 55.97 54.59 2yrj s LYS 39 Cb -0.12 -1.65 -0.09 0.00 0.00 0.00 0.00 37.83 35.97 2yrj s LYS 39 CO 0.17 0.37 1.19 -1.25 0.00 0.00 0.00 175.35 175.83 2yrj s PRO 40 N -2.35 4.06 -0.32 1.78 0.04 -1.26 -5.01 135.00 131.95 2yrj s PRO 40 Ca 0.15 1.89 -0.15 0.00 0.04 0.00 0.00 61.00 62.92 2yrj s PRO 40 Cb -0.09 -2.71 -0.02 0.00 0.04 0.00 0.00 34.50 31.73 2yrj s PRO 40 CO 0.07 -0.33 0.39 -1.54 0.04 0.00 0.00 177.00 175.63 2yrj s SER 41 N -1.06 6.22 -0.30 6.66 1.04 -1.26 -4.67 113.70 120.33 2yrj s SER 41 Ca 0.56 -0.04 -0.10 0.00 0.48 0.00 0.00 55.95 56.85 2yrj s SER 41 Cb -0.32 -2.21 0.01 0.00 0.10 0.00 0.00 66.02 63.60 2yrj s SER 41 CO 0.40 -0.31 0.26 0.61 0.98 0.00 0.00 173.24 175.19 2yrj n GLY 42 N 4.85 -1.96 0.22 7.32 0.00 -1.26 -4.91 105.19 109.46 2yrj n GLY 42 Ca -0.08 0.70 -0.07 0.00 0.00 0.00 0.00 46.02 46.56 2yrj n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yrj h PRO 43 N 2.74 0.51 -7.06 1.61 0.13 -2.00 -3.47 132.00 124.46 2yrj h PRO 43 Ca -0.09 -0.27 -0.61 0.00 -0.87 0.00 0.00 66.00 64.17 2yrj h PRO 43 Cb 0.69 0.01 -0.24 0.00 0.13 0.00 0.00 31.00 31.59 2yrj h PRO 43 CO 0.13 0.85 -0.95 0.45 -0.23 0.00 0.00 178.00 178.24 2yrj n SER 44 N -4.01 0.17 -3.94 1.44 2.88 -1.26 0.12 113.62 109.01 2yrj n SER 44 Ca -0.02 -1.25 -0.30 0.00 -1.33 0.00 0.00 58.87 55.98 2yrj n SER 44 Cb 0.53 -1.73 0.01 0.00 -0.75 0.00 0.00 64.21 62.27 2yrj n SER 44 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yrj n SER 45 N -2.80 -3.69 0.00 -3.46 7.64 -1.26 -5.31 113.62 104.74 2yrj n SER 45 Ca -0.22 -0.84 0.10 0.00 1.01 0.00 0.00 58.87 58.91 2yrj n SER 45 Cb 0.64 -3.65 0.59 0.00 -1.01 0.00 0.00 64.21 60.78 2yrj n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64