#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ely n SER 2 N 0.00 -1.22 -4.76 1.61 7.64 -1.26 -4.92 113.62 110.72 2ely n SER 2 Ca 0.00 -0.97 -0.31 0.00 1.01 0.00 0.00 58.87 58.60 2ely n SER 2 Cb 0.00 -3.16 0.10 0.00 -1.01 0.00 0.00 64.21 60.14 2ely n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ely s SER 3 N -4.11 4.38 -0.65 6.43 1.04 -1.26 -5.00 113.70 114.53 2ely s SER 3 Ca 0.18 1.84 0.05 0.00 0.48 0.00 0.00 55.95 58.50 2ely s SER 3 Cb -0.09 -2.52 0.28 0.00 0.10 0.00 0.00 66.02 63.79 2ely s SER 3 CO 0.88 -2.12 0.87 0.61 0.98 0.00 0.00 173.24 174.46 2ely n GLY 4 N -1.11 5.11 3.37 7.32 0.00 -1.26 -5.05 105.19 113.57 2ely n GLY 4 Ca 0.09 -2.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.03 2ely n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ely s SER 5 N -2.73 3.34 -0.00 1.61 0.01 -1.26 -5.05 113.70 109.62 2ely s SER 5 Ca 0.42 -0.52 -0.05 0.00 1.31 0.00 0.00 55.95 57.11 2ely s SER 5 Cb 0.19 -0.40 -0.02 0.00 0.21 0.00 0.00 66.02 66.00 2ely s SER 5 CO -0.05 0.27 -0.11 -1.20 0.41 0.00 0.00 173.24 172.57 2ely n SER 6 N 1.82 1.21 0.00 2.44 7.64 -1.26 -5.13 113.62 120.33 2ely n SER 6 Ca -0.17 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2ely n SER 6 Cb 0.52 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2ely n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ely n GLY 7 N 2.80 0.64 3.56 0.23 0.00 -1.26 -5.05 105.19 106.11 2ely n GLY 7 Ca -0.07 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 2ely n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ely s THR 8 N 0.00 3.49 0.00 2.61 2.01 -1.26 -4.81 115.64 117.68 2ely s THR 8 Ca 0.00 0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.33 2ely s THR 8 Cb 0.00 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.38 2ely s THR 8 CO 0.00 -1.04 0.00 0.61 -0.69 0.00 0.00 174.62 173.50 2ely n GLY 9 N 5.56 3.89 4.17 4.40 0.00 -1.26 -5.00 105.19 116.95 2ely n GLY 9 Ca 0.17 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 2ely n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ely n GLU 10 N 0.00 -1.51 -3.26 1.61 1.02 -1.26 -4.91 120.64 112.33 2ely n GLU 10 Ca 0.00 0.19 -0.33 0.00 -0.02 0.00 0.00 57.16 57.00 2ely n GLU 10 Cb 0.00 -3.73 -0.06 0.00 -0.02 0.00 0.00 31.44 27.63 2ely n GLU 10 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2ely s LYS 11 N -7.11 3.96 0.32 3.49 -0.14 -1.26 -4.99 119.74 114.00 2ely s LYS 11 Ca 0.08 0.53 0.11 0.00 -1.36 0.00 0.00 55.97 55.33 2ely s LYS 11 Cb -0.04 -2.64 0.53 0.00 -1.68 0.00 0.00 37.83 34.01 2ely s LYS 11 CO 0.96 0.29 1.72 -1.00 -0.76 0.00 0.00 175.35 176.56 2ely h PRO 12 N 2.70 0.02 -4.59 -1.68 0.13 -1.91 -3.40 132.00 123.26 2ely h PRO 12 Ca -0.48 -0.01 -0.70 0.00 -0.87 0.00 0.00 66.00 63.94 2ely h PRO 12 Cb 1.18 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.03 2ely h PRO 12 CO 0.67 0.50 -0.55 -0.06 -0.23 0.00 0.00 178.00 178.33 2ely s PHE 13 N -3.92 3.30 -0.01 1.56 0.08 -1.26 -5.06 117.98 112.67 2ely s PHE 13 Ca -0.02 -1.46 0.04 0.00 0.12 0.00 0.00 56.93 55.61 2ely s PHE 13 Cb 0.14 -2.56 -0.01 0.00 -0.57 0.00 0.00 43.02 40.02 2ely s PHE 13 CO 0.75 -0.77 -0.14 0.15 -0.10 0.00 0.00 175.22 175.11 2ely s LYS 14 N 1.41 1.18 0.20 0.44 1.02 -1.26 -0.39 119.74 122.35 2ely s LYS 14 Ca 0.01 -0.50 -0.32 0.00 0.02 0.00 0.00 55.97 55.18 2ely s LYS 14 Cb -0.21 -1.13 -0.11 0.00 -0.52 0.00 0.00 37.83 35.86 2ely s LYS 14 CO 0.03 0.29 1.64 0.00 -0.92 0.00 0.00 175.35 176.38 2ely n VAL 16 N 3.70 0.04 -0.04 0.00 3.14 -1.26 0.05 118.33 123.96 2ely n VAL 16 Ca 0.14 -0.03 -0.06 0.00 -2.96 0.00 0.00 64.34 61.43 2ely n VAL 16 Cb 0.37 -0.02 -0.04 0.00 -1.06 0.00 0.00 33.84 33.09 2ely n VAL 16 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2ely n GLU 17 N -0.40 0.19 -0.01 1.45 -0.58 -1.26 -4.86 120.64 115.18 2ely n GLU 17 Ca 0.01 0.05 -0.01 0.00 -0.42 0.00 0.00 57.16 56.79 2ely n GLU 17 Cb 0.04 -1.10 -0.01 0.00 -0.57 0.00 0.00 31.44 29.79 2ely n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ely n GLY 19 N 2.98 0.87 3.24 0.00 0.00 0.11 -4.97 105.19 107.43 2ely n GLY 19 Ca -0.03 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 2ely n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ely n LYS 20 N -2.20 -2.63 -4.22 1.61 4.81 -1.26 -4.52 118.16 109.75 2ely n LYS 20 Ca 0.00 -0.76 -0.31 0.00 -0.87 0.00 0.00 58.31 56.37 2ely n LYS 20 Cb 0.00 -1.79 -0.16 0.00 0.02 0.00 0.00 35.03 33.10 2ely n LYS 20 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2ely s GLY 21 N -2.22 1.21 0.47 3.14 0.00 -1.26 -3.01 107.32 105.66 2ely s GLY 21 Ca 0.56 -0.98 0.05 0.00 0.00 0.00 0.00 44.72 44.35 2ely s GLY 21 CO 0.57 0.33 0.16 -1.36 0.00 0.00 0.00 173.10 172.80 2ely s PHE 22 N 1.25 2.16 -0.11 1.90 0.40 0.48 -5.02 117.98 119.03 2ely s PHE 22 Ca 0.01 -0.76 0.04 0.00 -0.60 0.00 0.00 56.93 55.62 2ely s PHE 22 Cb -0.14 -1.83 -0.05 0.00 0.51 0.00 0.00 43.02 41.52 2ely s PHE 22 CO -0.08 0.08 0.13 -1.13 0.70 0.00 0.00 175.22 174.92 2ely n SER 23 N -1.33 1.71 -3.88 1.36 3.41 -1.26 -4.30 113.62 109.33 2ely n SER 23 Ca -0.07 -0.36 -0.14 0.00 -0.26 0.00 0.00 58.87 58.04 2ely n SER 23 Cb 0.66 1.07 -0.15 0.00 -0.26 0.00 0.00 64.21 65.53 2ely n SER 23 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2ely s ARG 24 N -1.71 0.14 0.12 4.33 6.06 -1.26 -4.99 118.95 121.65 2ely s ARG 24 Ca 0.00 -0.02 -0.27 0.00 -2.50 0.00 0.00 55.73 52.94 2ely s ARG 24 Cb 0.03 -0.19 -0.08 0.00 0.06 0.00 0.00 34.95 34.78 2ely s ARG 24 CO 0.16 -0.00 1.45 -0.09 -2.50 0.00 0.00 175.30 174.32 2ely h ARG 25 N 6.34 -0.16 -0.39 5.12 2.43 -1.97 -0.75 114.38 125.01 2ely h ARG 25 Ca -0.29 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 58.97 2ely h ARG 25 Cb 1.19 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.69 2ely h ARG 25 CO 0.50 -0.11 -0.26 1.03 -1.51 0.00 0.00 179.97 179.62 2ely h SER 26 N -0.16 -0.88 -1.58 -3.80 0.87 -1.98 0.26 113.55 106.28 2ely h SER 26 Ca 0.10 0.17 0.46 0.00 -1.23 0.00 0.00 61.79 61.29 2ely h SER 26 Cb 0.42 0.43 -0.06 0.00 -0.44 0.00 0.00 62.40 62.75 2ely h SER 26 CO -0.64 -0.28 1.14 0.00 -0.53 0.00 0.00 176.83 176.51 2ely h ALA 27 N 0.93 3.49 0.03 6.23 0.00 -1.57 1.07 119.26 129.45 2ely h ALA 27 Ca 0.18 -0.05 -0.30 0.00 0.00 0.00 0.00 54.91 54.74 2ely h ALA 27 Cb 0.49 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2ely h ALA 27 CO -0.50 -1.95 -1.72 1.25 0.00 0.00 0.00 179.25 176.33 2ely h LEU 28 N 0.00 0.10 -0.79 0.00 5.85 -0.05 -3.28 115.31 117.14 2ely h LEU 28 Ca 0.75 -0.22 -0.13 0.00 0.84 0.00 0.00 57.88 59.13 2ely h LEU 28 Cb 3.01 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 44.00 2ely h LEU 28 CO -0.01 1.19 -0.55 0.78 -0.34 0.00 0.00 178.44 179.51 2ely h ASN 29 N 0.02 0.17 0.08 1.25 2.35 0.25 -2.89 115.58 116.82 2ely h ASN 29 Ca -0.30 -0.09 -0.17 0.00 -0.55 0.00 0.00 56.30 55.20 2ely h ASN 29 Cb 2.01 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 40.32 2ely h ASN 29 CO 0.09 0.69 -0.60 1.62 -1.65 0.00 0.00 177.43 177.58 2ely h VAL 30 N 0.12 1.33 0.00 2.81 3.04 -0.62 -2.89 116.25 120.04 2ely h VAL 30 Ca -0.00 -1.88 0.00 0.00 -1.01 0.00 0.00 66.70 63.81 2ely h VAL 30 Cb 1.01 1.86 0.00 0.00 -2.01 0.00 0.00 31.29 32.15 2ely h VAL 30 CO 0.08 0.58 0.00 -0.74 -1.01 0.00 0.00 177.57 176.48 2ely h HIS 31 N 0.39 0.00 -0.47 3.17 -0.00 -1.59 -3.07 115.15 113.56 2ely h HIS 31 Ca -0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.24 2ely h HIS 31 Cb 1.15 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.54 2ely h HIS 31 CO 0.05 0.00 -0.19 0.45 -0.00 0.00 0.00 177.93 178.24 2ely h HIS 32 N 0.00 1.10 -0.50 5.26 -0.00 -1.30 -2.77 115.15 116.94 2ely h HIS 32 Ca 0.00 -0.26 0.14 0.00 -0.00 0.00 0.00 60.37 60.25 2ely h HIS 32 Cb 0.55 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.68 2ely h HIS 32 CO 0.00 1.07 0.58 0.87 -0.00 0.00 0.00 177.93 180.46 2ely h LYS 33 N 0.82 0.00 -0.11 2.45 6.56 -1.61 0.51 116.57 125.18 2ely h LYS 33 Ca 0.11 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.52 2ely h LYS 33 Cb 0.76 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.42 2ely h LYS 33 CO 0.06 0.00 -0.68 -0.07 -2.06 0.00 0.00 179.45 176.70 2ely h LEU 34 N 0.00 0.53 0.02 2.94 3.38 -1.67 -3.37 115.31 117.14 2ely h LEU 34 Ca 0.24 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2ely h LEU 34 Cb 1.40 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2ely h LEU 34 CO -0.00 1.06 -0.01 0.45 0.09 0.00 0.00 178.44 180.03 2ely h HIS 35 N 0.32 -0.02 -2.61 1.13 3.86 -0.12 -3.47 115.15 114.24 2ely h HIS 35 Ca -0.02 -0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.68 2ely h HIS 35 Cb 1.24 0.01 0.23 0.00 1.06 0.00 0.00 27.41 29.95 2ely h HIS 35 CO 0.05 -0.02 -1.14 -2.37 0.86 0.00 0.00 177.93 175.31 2ely n THR 36 N -2.80 0.00 -3.71 2.45 5.66 -0.75 -4.96 114.28 110.17 2ely n THR 36 Ca -0.00 -0.25 -0.36 0.00 -3.05 0.00 0.00 64.05 60.38 2ely n THR 36 Cb 0.01 -0.46 -0.06 0.00 -1.55 0.00 0.00 70.33 68.27 2ely n THR 36 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2ely s GLY 37 N -1.71 2.29 -0.08 1.09 0.00 -1.26 -4.89 107.32 102.77 2ely s GLY 37 Ca 0.52 -0.48 -0.14 0.00 0.00 0.00 0.00 44.72 44.62 2ely s GLY 37 CO 0.69 -0.22 0.50 0.83 0.00 0.00 0.00 173.10 174.91 2ely h GLU 38 N 4.47 -0.14 -6.99 2.90 4.39 -1.93 -3.46 114.58 113.83 2ely h GLU 38 Ca -0.52 0.01 -0.54 0.00 0.34 0.00 0.00 59.36 58.65 2ely h GLU 38 Cb 1.21 0.03 0.12 0.00 -0.10 0.00 0.00 28.75 30.01 2ely h GLU 38 CO 0.62 0.20 0.68 -1.59 -1.16 0.00 0.00 179.01 177.76 2ely s LYS 39 N -2.51 3.67 0.85 2.33 -2.85 -1.26 -4.99 119.74 114.99 2ely s LYS 39 Ca -0.09 2.37 -0.11 0.00 -1.00 0.00 0.00 55.97 57.14 2ely s LYS 39 Cb -0.00 -2.63 0.10 0.00 -2.06 0.00 0.00 37.83 33.24 2ely s LYS 39 CO 0.31 -0.81 1.09 -1.25 0.10 0.00 0.00 175.35 174.79 2ely s PRO 40 N -2.47 1.60 -0.14 1.78 0.04 -1.26 -5.02 135.00 129.53 2ely s PRO 40 Ca 0.61 0.94 -0.07 0.00 0.04 0.00 0.00 61.00 62.52 2ely s PRO 40 Cb -0.43 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.21 2ely s PRO 40 CO 0.55 -2.04 -0.19 -1.13 0.04 0.00 0.00 177.00 174.23 2ely n SER 41 N -3.76 1.03 -0.02 6.66 3.41 -1.26 -5.09 113.62 114.59 2ely n SER 41 Ca 0.08 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 2ely n SER 41 Cb 0.54 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 2ely n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ely n GLY 42 N 2.11 7.75 3.65 5.00 0.00 -1.26 -5.14 105.19 117.30 2ely n GLY 42 Ca -0.28 -2.01 -0.29 0.00 0.00 0.00 0.00 46.02 43.44 2ely n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ely s PRO 43 N 0.98 -0.17 -1.55 1.61 0.04 -1.26 -3.98 135.00 130.67 2ely s PRO 43 Ca 0.00 0.31 -0.12 0.00 0.04 0.00 0.00 61.00 61.24 2ely s PRO 43 Cb 0.00 -1.69 0.09 0.00 0.04 0.00 0.00 34.50 32.94 2ely s PRO 43 CO 0.00 -3.09 0.78 0.45 0.04 0.00 0.00 177.00 175.18 2ely n SER 44 N -4.39 -3.08 -3.55 6.66 2.88 -1.26 -4.95 113.62 105.93 2ely n SER 44 Ca 0.07 -0.91 -0.20 0.00 -1.33 0.00 0.00 58.87 56.51 2ely n SER 44 Cb 0.58 -3.34 -0.14 0.00 -0.75 0.00 0.00 64.21 60.55 2ely n SER 44 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ely s SER 45 N -3.61 1.48 0.00 -3.46 0.15 -1.26 -5.13 113.70 101.88 2ely s SER 45 Ca 0.50 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.94 2ely s SER 45 Cb -0.26 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 2ely s SER 45 CO 0.87 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.61