#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ely s SER 2 N 0.00 -0.56 -0.24 1.61 0.01 -1.26 -5.07 113.70 108.19 2ely s SER 2 Ca 0.00 0.54 -0.07 0.00 1.31 0.00 0.00 55.95 57.72 2ely s SER 2 Cb 0.00 0.47 -0.17 0.00 0.21 0.00 0.00 66.02 66.53 2ely s SER 2 CO 0.00 -0.57 -0.11 -1.54 0.41 0.00 0.00 173.24 171.43 2ely n SER 3 N 0.69 1.98 0.00 2.44 3.41 -1.26 -5.03 113.62 115.85 2ely n SER 3 Ca -0.16 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2ely n SER 3 Cb 0.58 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2ely n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ely n GLY 4 N 1.80 3.17 3.57 5.00 0.00 -1.26 -4.99 105.19 112.47 2ely n GLY 4 Ca -0.45 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 2ely n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ely s SER 5 N 0.00 5.55 -0.14 1.61 1.04 -1.26 -4.56 113.70 115.93 2ely s SER 5 Ca 0.00 -1.34 -0.04 0.00 0.48 0.00 0.00 55.95 55.04 2ely s SER 5 Cb 0.00 -2.57 -0.07 0.00 0.10 0.00 0.00 66.02 63.48 2ely s SER 5 CO 0.00 -2.45 -0.16 -1.20 0.98 0.00 0.00 173.24 170.41 2ely n SER 6 N 12.56 1.70 0.00 7.02 7.64 -1.26 -5.08 113.62 136.20 2ely n SER 6 Ca 0.42 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.38 2ely n SER 6 Cb 0.47 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 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 2.36 3.79 3.01 0.23 0.00 -1.26 -5.08 105.19 108.24 2ely n GLY 7 Ca -0.27 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.52 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 2.25 3.22 -0.68 2.61 2.01 -1.26 -4.94 115.64 118.84 2ely s THR 8 Ca 0.00 -3.34 -0.00 0.00 0.31 0.00 0.00 61.69 58.66 2ely s THR 8 Cb 0.00 -3.13 0.40 0.00 0.01 0.00 0.00 72.50 69.78 2ely s THR 8 CO 0.00 -0.88 1.81 0.61 -0.69 0.00 0.00 174.62 175.47 2ely n GLY 9 N 3.05 5.79 2.90 4.40 0.00 -1.26 -4.84 105.19 115.24 2ely n GLY 9 Ca 0.09 -2.49 -0.29 0.00 0.00 0.00 0.00 46.02 43.33 2ely n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ely s GLU 10 N -3.87 2.16 -0.06 1.61 2.02 -1.26 -5.09 118.70 114.21 2ely s GLU 10 Ca 0.55 -2.94 -0.16 0.00 0.02 0.00 0.00 54.97 52.44 2ely s GLU 10 Cb 0.45 -3.27 -0.05 0.00 0.10 0.00 0.00 34.13 31.36 2ely s GLU 10 CO -0.22 -1.21 0.43 0.21 0.02 0.00 0.00 175.26 174.50 2ely s LYS 11 N -0.83 4.14 0.17 1.61 2.47 -1.26 -4.99 119.74 121.05 2ely s LYS 11 Ca 0.21 0.41 -0.08 0.00 -1.56 0.00 0.00 55.97 54.95 2ely s LYS 11 Cb -0.15 -3.33 0.04 0.00 -1.46 0.00 0.00 37.83 32.93 2ely s LYS 11 CO -0.09 0.43 1.51 -1.00 0.16 0.00 0.00 175.35 176.36 2ely h PRO 12 N 5.72 0.83 -6.02 4.03 0.13 -1.98 -3.44 132.00 131.27 2ely h PRO 12 Ca -0.46 -0.43 -0.67 0.00 -0.87 0.00 0.00 66.00 63.57 2ely h PRO 12 Cb 1.20 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 2ely h PRO 12 CO 0.69 1.07 -0.61 -0.06 -0.23 0.00 0.00 178.00 178.85 2ely s PHE 13 N -4.35 3.18 -0.22 1.56 0.08 -1.19 -5.05 117.98 111.99 2ely s PHE 13 Ca -0.10 0.18 -0.14 0.00 0.12 0.00 0.00 56.93 56.99 2ely s PHE 13 Cb 0.12 -1.75 0.07 0.00 -0.57 0.00 0.00 43.02 40.88 2ely s PHE 13 CO 0.86 0.50 0.55 0.15 -0.10 0.00 0.00 175.22 177.18 2ely s LYS 14 N -1.26 0.57 0.00 0.44 1.02 -1.26 -2.04 119.74 117.21 2ely s LYS 14 Ca 0.17 0.98 -0.36 0.00 0.02 0.00 0.00 55.97 56.78 2ely s LYS 14 Cb -0.12 0.09 -0.14 0.00 -0.52 0.00 0.00 37.83 37.15 2ely s LYS 14 CO 0.07 -0.14 1.63 0.00 -0.92 0.00 0.00 175.35 175.98 2ely n VAL 16 N 3.84 0.00 -0.06 0.00 3.14 -1.26 0.14 118.33 124.13 2ely n VAL 16 Ca 0.20 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.51 2ely n VAL 16 Cb 0.24 -0.26 -0.08 0.00 -1.06 0.00 0.00 33.84 32.68 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 -0.68 1.55 0.00 1.45 1.02 -1.26 -3.43 120.64 119.28 2ely n GLU 17 Ca 0.08 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2ely n GLU 17 Cb 0.03 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 2ely n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ely n GLY 19 N 1.99 1.59 1.53 0.00 0.00 0.37 -4.96 105.19 105.71 2ely n GLY 19 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2ely n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ely n LYS 20 N -1.40 -1.13 -3.76 1.61 4.76 -1.25 -4.47 118.16 112.52 2ely n LYS 20 Ca 0.00 -0.42 -0.24 0.00 -2.87 0.00 0.00 58.31 54.78 2ely n LYS 20 Cb 0.00 -0.77 -0.17 0.00 -1.84 0.00 0.00 35.03 32.24 2ely n LYS 20 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2ely s GLY 21 N -1.67 0.52 0.09 0.72 0.00 -1.26 -3.47 107.32 102.24 2ely s GLY 21 Ca 0.20 -0.24 0.05 0.00 0.00 0.00 0.00 44.72 44.72 2ely s GLY 21 CO 0.16 1.21 -0.12 -1.36 0.00 0.00 0.00 173.10 173.00 2ely s PHE 22 N 1.96 1.15 -1.49 1.90 0.08 -0.87 -5.01 117.98 115.69 2ely s PHE 22 Ca 0.04 -0.55 0.19 0.00 0.12 0.00 0.00 56.93 56.73 2ely s PHE 22 Cb -0.13 -0.63 0.61 0.00 -0.57 0.00 0.00 43.02 42.29 2ely s PHE 22 CO -0.06 0.04 1.51 0.45 -0.10 0.00 0.00 175.22 177.07 2ely n SER 23 N 0.88 4.02 -3.64 1.36 2.88 -1.26 -3.15 113.62 114.71 2ely n SER 23 Ca -0.18 -2.16 -0.08 0.00 -1.33 0.00 0.00 58.87 55.12 2ely n SER 23 Cb 0.56 -0.47 -0.07 0.00 -0.75 0.00 0.00 64.21 63.48 2ely n SER 23 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ely s ARG 24 N -1.30 0.59 0.32 -1.46 1.70 -1.26 -5.01 118.95 112.53 2ely s ARG 24 Ca 0.45 0.86 0.10 0.00 -0.47 0.00 0.00 55.73 56.68 2ely s ARG 24 Cb 0.26 0.20 0.96 0.00 -0.57 0.00 0.00 34.95 35.79 2ely s ARG 24 CO 0.27 -0.10 1.66 0.00 -1.08 0.00 0.00 175.30 176.05 2ely h ARG 25 N 5.63 0.29 0.09 3.89 3.08 -1.98 -0.34 114.38 125.04 2ely h ARG 25 Ca -0.29 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.77 2ely h ARG 25 Cb 1.19 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 31.13 2ely h ARG 25 CO 0.14 0.19 -0.44 0.77 -1.07 0.00 0.00 179.97 179.56 2ely h SER 26 N 0.30 -1.30 -0.43 7.04 0.02 -1.98 0.91 113.55 118.11 2ely h SER 26 Ca 0.67 0.15 0.12 0.00 -0.84 0.00 0.00 61.79 61.89 2ely h SER 26 Cb 1.47 0.49 -0.02 0.00 0.14 0.00 0.00 62.40 64.49 2ely h SER 26 CO -0.62 -0.49 0.32 0.00 -1.14 0.00 0.00 176.83 174.90 2ely h ALA 27 N -0.19 2.36 0.00 3.77 0.00 -1.49 0.14 119.26 123.85 2ely h ALA 27 Ca 0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 2ely h ALA 27 Cb 0.69 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2ely h ALA 27 CO -0.27 -0.54 -1.01 1.25 0.00 0.00 0.00 179.25 178.67 2ely h LEU 28 N 0.00 0.00 -0.34 0.00 5.85 -0.55 -3.08 115.31 117.19 2ely h LEU 28 Ca 0.20 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.77 2ely h LEU 28 Cb 0.85 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 2ely h LEU 28 CO -0.00 0.68 -0.71 0.78 -0.34 0.00 0.00 178.44 178.84 2ely h ASN 29 N 0.00 0.00 0.05 1.25 2.35 0.34 -3.05 115.58 116.52 2ely h ASN 29 Ca -0.08 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.51 2ely h ASN 29 Cb 1.59 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.98 2ely h ASN 29 CO 0.07 0.71 -0.63 1.62 -1.65 0.00 0.00 177.43 177.55 2ely h VAL 30 N 0.00 1.48 0.00 2.81 3.04 -1.20 -3.24 116.25 119.14 2ely h VAL 30 Ca -0.01 -2.25 -0.01 0.00 -1.01 0.00 0.00 66.70 63.42 2ely h VAL 30 Cb 1.39 2.87 -0.00 0.00 -2.01 0.00 0.00 31.29 33.54 2ely h VAL 30 CO 0.09 0.64 -0.05 -0.74 -1.01 0.00 0.00 177.57 176.50 2ely h HIS 31 N -0.27 0.00 -0.42 3.17 -0.00 -1.61 -2.41 115.15 113.61 2ely h HIS 31 Ca -0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.25 2ely h HIS 31 Cb 1.40 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.80 2ely h HIS 31 CO 0.17 0.05 0.16 0.45 -0.00 0.00 0.00 177.93 178.77 2ely h HIS 32 N 0.00 0.65 -0.19 5.26 -0.00 -1.56 -2.16 115.15 117.16 2ely h HIS 32 Ca -0.00 -0.05 0.05 0.00 -0.00 0.00 0.00 60.37 60.37 2ely h HIS 32 Cb 0.14 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.35 2ely h HIS 32 CO 0.00 0.57 0.44 0.87 -0.00 0.00 0.00 177.93 179.81 2ely h LYS 33 N 0.54 0.00 -0.11 2.45 6.56 -1.52 0.36 116.57 124.85 2ely h LYS 33 Ca 0.14 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.55 2ely h LYS 33 Cb 0.20 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.86 2ely h LYS 33 CO -0.01 0.00 -0.69 -0.07 -2.06 0.00 0.00 179.45 176.62 2ely h LEU 34 N 0.00 0.55 0.31 2.94 3.38 -1.50 -3.32 115.31 117.67 2ely h LEU 34 Ca 0.09 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 2ely h LEU 34 Cb 0.97 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2ely h LEU 34 CO -0.00 1.08 -0.15 0.45 0.09 0.00 0.00 178.44 179.91 2ely h HIS 35 N 0.33 -0.38 -0.17 1.13 3.86 -0.35 -3.37 115.15 116.21 2ely h HIS 35 Ca -0.02 -0.01 -0.46 0.00 -1.16 0.00 0.00 60.37 58.72 2ely h HIS 35 Cb 1.26 0.13 0.03 0.00 1.06 0.00 0.00 27.41 29.88 2ely h HIS 35 CO 0.05 -0.06 1.47 -2.37 0.86 0.00 0.00 177.93 177.88 2ely n THR 36 N -5.07 1.37 -3.65 2.45 5.66 -1.06 -4.62 114.28 109.37 2ely n THR 36 Ca -0.08 -1.31 -0.04 0.00 -3.05 0.00 0.00 64.05 59.57 2ely n THR 36 Cb 0.25 -2.18 -0.07 0.00 -1.55 0.00 0.00 70.33 66.78 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 6.23 0.22 -1.27 1.09 0.00 -1.26 -4.93 107.32 107.40 2ely s GLY 37 Ca 0.66 3.31 -0.16 0.00 0.00 0.00 0.00 44.72 48.52 2ely s GLY 37 CO 0.17 2.08 0.40 1.18 0.00 0.00 0.00 173.10 176.93 2ely n GLU 38 N 2.13 -1.12 -2.95 2.90 1.02 -1.26 -4.86 120.64 116.50 2ely n GLU 38 Ca -0.12 0.09 -0.31 0.00 -0.02 0.00 0.00 57.16 56.80 2ely n GLU 38 Cb 0.57 -3.88 -0.04 0.00 -0.02 0.00 0.00 31.44 28.06 2ely n GLU 38 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2ely s LYS 39 N -5.79 3.88 0.25 3.49 -2.85 -1.26 -5.08 119.74 112.37 2ely s LYS 39 Ca 0.56 0.57 -0.04 0.00 -1.00 0.00 0.00 55.97 56.06 2ely s LYS 39 Cb -0.33 -2.40 0.06 0.00 -2.06 0.00 0.00 37.83 33.11 2ely s LYS 39 CO 0.69 0.03 0.22 -0.35 0.10 0.00 0.00 175.35 176.04 2ely n PRO 40 N -0.92 -1.45 0.19 1.78 -0.04 -1.26 -4.97 135.00 128.32 2ely n PRO 40 Ca 0.03 -0.35 -0.14 0.00 -0.04 0.00 0.00 63.50 63.00 2ely n PRO 40 Cb 0.54 -0.33 -0.08 0.00 -0.04 0.00 0.00 33.50 33.59 2ely n PRO 40 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ely h SER 41 N -1.37 -0.40 -3.77 3.54 4.64 -2.05 -3.41 113.55 110.73 2ely h SER 41 Ca -0.08 -0.10 -0.64 0.00 -0.47 0.00 0.00 61.79 60.51 2ely h SER 41 Cb 0.25 0.10 -0.17 0.00 -0.31 0.00 0.00 62.40 62.28 2ely h SER 41 CO 0.05 -0.14 -0.53 -0.83 -0.87 0.00 0.00 176.83 174.52 2ely s GLY 42 N -2.45 1.92 1.01 -0.77 0.00 -1.26 -5.09 107.32 100.69 2ely s GLY 42 Ca -0.15 -1.04 -0.12 0.00 0.00 0.00 0.00 44.72 43.41 2ely s GLY 42 CO 0.59 0.56 1.09 2.56 0.00 0.00 0.00 173.10 177.90 2ely s PRO 43 N 1.53 0.31 -0.62 2.90 0.04 -1.26 -4.97 135.00 132.93 2ely s PRO 43 Ca 0.07 0.48 -0.00 0.00 0.04 0.00 0.00 61.00 61.59 2ely s PRO 43 Cb -0.15 -1.73 0.44 0.00 0.04 0.00 0.00 34.50 33.10 2ely s PRO 43 CO 0.08 -2.80 1.86 -1.13 0.04 0.00 0.00 177.00 175.05 2ely n SER 44 N -4.22 7.12 -4.10 6.66 3.41 -1.26 -5.04 113.62 116.19 2ely n SER 44 Ca 0.05 -3.79 -0.36 0.00 -0.26 0.00 0.00 58.87 54.51 2ely n SER 44 Cb 0.57 -0.87 0.06 0.00 -0.26 0.00 0.00 64.21 63.72 2ely n SER 44 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2ely n SER 45 N -0.82 -4.17 0.00 4.04 2.88 -1.26 -4.76 113.62 109.53 2ely n SER 45 Ca 0.58 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 2ely n SER 45 Cb 0.66 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 2ely n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42