#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wpv h PRO 8 N 0.00 1.08 -0.36 1.61 0.13 -2.05 -0.73 132.00 131.68 2wpv h PRO 8 Ca 0.00 -0.22 -0.14 0.00 -0.87 0.00 0.00 66.00 64.76 2wpv h PRO 8 Cb 0.00 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 30.96 2wpv h PRO 8 CO 0.00 0.92 -0.35 1.49 -0.23 0.00 0.00 178.00 179.83 2wpv h GLU 9 N 1.04 0.83 -0.64 0.86 4.81 -2.05 -1.44 114.58 117.99 2wpv h GLU 9 Ca 0.23 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2wpv h GLU 9 Cb 0.29 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 2wpv h GLU 9 CO -0.01 1.04 0.41 1.25 -0.73 0.00 0.00 179.01 180.97 2wpv h HIS 10 N 0.69 0.81 -0.26 0.92 2.76 -1.93 0.22 115.15 118.37 2wpv h HIS 10 Ca 0.07 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2wpv h HIS 10 Cb 0.90 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 2wpv h HIS 10 CO 0.05 0.52 0.12 1.49 -1.30 0.00 0.00 177.93 178.81 2wpv h GLU 11 N 0.86 0.38 -0.11 5.26 4.81 -0.90 -1.01 114.58 123.86 2wpv h GLU 11 Ca 0.23 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 2wpv h GLU 11 Cb -0.08 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 2wpv h GLU 11 CO -0.05 0.39 0.02 0.35 -0.73 0.00 0.00 179.01 178.99 2wpv h PHE 12 N 0.28 0.04 -0.58 0.92 3.57 -0.87 0.95 116.94 121.25 2wpv h PHE 12 Ca 0.09 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.62 2wpv h PHE 12 Cb 0.14 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 2wpv h PHE 12 CO -0.02 0.01 0.35 0.28 -2.23 0.00 0.00 178.31 176.71 2wpv h VAL 13 N 0.07 1.06 -0.13 1.41 2.07 -0.84 0.30 116.25 120.20 2wpv h VAL 13 Ca 0.05 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2wpv h VAL 13 Cb 0.04 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2wpv h VAL 13 CO -0.07 0.13 0.03 -1.28 0.02 0.00 0.00 177.57 176.41 2wpv h SER 14 N 0.69 0.19 -0.28 0.57 0.87 -0.89 -1.05 113.55 113.66 2wpv h SER 14 Ca 0.23 -0.22 -0.12 0.00 -1.23 0.00 0.00 61.79 60.46 2wpv h SER 14 Cb 0.03 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2wpv h SER 14 CO -0.10 0.36 -0.24 0.11 -0.53 0.00 0.00 176.83 176.43 2wpv h LYS 15 N 0.01 0.77 -0.34 2.24 1.79 -0.58 -2.47 116.57 117.98 2wpv h LYS 15 Ca 0.04 -0.32 -0.06 0.00 -2.18 0.00 0.00 60.65 58.13 2wpv h LYS 15 Cb 0.24 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2wpv h LYS 15 CO -0.00 0.93 -0.03 0.35 -1.08 0.00 0.00 179.45 179.62 2wpv h PHE 16 N 0.67 0.69 -0.73 -1.35 3.57 -0.35 -1.85 116.94 117.58 2wpv h PHE 16 Ca 0.09 -0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.47 2wpv h PHE 16 Cb 0.75 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 2wpv h PHE 16 CO 0.04 0.75 0.48 1.25 -2.23 0.00 0.00 178.31 178.60 2wpv h LEU 17 N 0.43 0.82 -0.19 0.59 5.85 -1.12 0.12 115.31 121.80 2wpv h LEU 17 Ca 0.09 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2wpv h LEU 17 Cb 0.50 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2wpv h LEU 17 CO 0.02 0.59 0.12 0.74 -0.34 0.00 0.00 178.44 179.57 2wpv h THR 18 N 0.97 1.07 -0.12 1.05 2.02 -1.29 -1.30 112.91 115.30 2wpv h THR 18 Ca 0.28 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 2wpv h THR 18 Cb -0.08 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2wpv h THR 18 CO -0.07 0.06 0.06 0.25 0.37 0.00 0.00 175.52 176.19 2wpv h LEU 19 N 0.25 0.15 -1.95 2.58 5.85 -0.87 0.44 115.31 121.76 2wpv h LEU 19 Ca 0.07 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 2wpv h LEU 19 Cb -0.00 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 2wpv h LEU 19 CO -0.01 0.22 -0.10 0.00 -0.34 0.00 0.00 178.44 178.20 2wpv h ALA 20 N 0.94 1.54 -0.36 1.25 0.00 -0.65 -2.66 119.26 119.32 2wpv h ALA 20 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2wpv h ALA 20 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2wpv h ALA 20 CO -0.01 0.13 0.00 0.25 0.00 0.00 0.00 179.25 179.63 2wpv n THR 21 N -3.99 1.12 -0.27 0.00 -2.24 -0.50 -4.60 114.28 103.80 2wpv n THR 21 Ca -0.02 -1.08 0.04 0.00 -2.27 0.00 0.00 64.05 60.72 2wpv n THR 21 Cb 0.19 0.43 0.18 0.00 -2.10 0.00 0.00 70.33 69.03 2wpv n THR 21 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2wpv h LEU 22 N 2.11 0.46 -9.05 3.22 5.85 -0.53 -3.40 115.31 113.97 2wpv h LEU 22 Ca 0.00 0.08 -0.61 0.00 0.84 0.00 0.00 57.88 58.19 2wpv h LEU 22 Cb 0.81 0.01 -0.17 0.00 0.37 0.00 0.00 40.66 41.68 2wpv h LEU 22 CO 0.02 0.23 -0.79 0.42 -0.34 0.00 0.00 178.44 177.98 2wpv s THR 23 N -6.02 2.28 -0.06 1.05 -4.23 -1.26 -5.08 115.64 102.32 2wpv s THR 23 Ca -0.12 -2.14 -0.30 0.00 -1.18 0.00 0.00 61.69 57.95 2wpv s THR 23 Cb 0.20 -2.13 -0.06 0.00 1.34 0.00 0.00 72.50 71.84 2wpv s THR 23 CO 0.77 -0.26 1.84 -1.61 -0.54 0.00 0.00 174.62 174.81 2wpv s GLU 24 N -3.01 4.00 0.52 3.99 2.02 -1.26 -4.93 118.70 120.03 2wpv s GLU 24 Ca 0.23 2.28 -0.21 0.00 0.02 0.00 0.00 54.97 57.29 2wpv s GLU 24 Cb -0.06 -4.11 -0.08 0.00 0.10 0.00 0.00 34.13 29.98 2wpv s GLU 24 CO 0.11 -1.08 0.86 -0.35 0.02 0.00 0.00 175.26 174.82 2wpv n PRO 25 N 7.54 0.97 -0.26 0.39 -0.04 -1.26 -4.87 135.00 137.46 2wpv n PRO 25 Ca 0.20 0.36 0.02 0.00 -0.04 0.00 0.00 63.50 64.04 2wpv n PRO 25 Cb 0.43 -1.98 0.10 0.00 -0.04 0.00 0.00 33.50 32.00 2wpv n PRO 25 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2wpv h LYS 26 N 0.85 0.01 -5.01 0.54 3.11 -1.97 -3.35 116.57 110.75 2wpv h LYS 26 Ca -0.46 -0.00 -0.63 0.00 -2.81 0.00 0.00 60.65 56.75 2wpv h LYS 26 Cb 1.36 -0.00 -0.16 0.00 -1.00 0.00 0.00 32.23 32.43 2wpv h LYS 26 CO 0.52 0.01 -0.43 -0.51 -2.81 0.00 0.00 179.45 176.23 2wpv s LEU 27 N -10.98 4.04 0.82 5.20 1.43 -1.26 -5.08 118.68 112.86 2wpv s LEU 27 Ca -0.14 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 52.95 2wpv s LEU 27 Cb 0.22 -2.21 0.08 0.00 0.03 0.00 0.00 46.19 44.32 2wpv s LEU 27 CO 0.75 -0.07 1.09 -2.16 0.23 0.00 0.00 176.35 176.19 2wpv s PRO 28 N 1.72 1.87 0.60 1.29 0.04 -1.26 -4.91 135.00 134.36 2wpv s PRO 28 Ca 0.10 0.83 0.34 0.00 0.04 0.00 0.00 61.00 62.30 2wpv s PRO 28 Cb -0.16 -1.88 1.94 0.00 0.04 0.00 0.00 34.50 34.45 2wpv s PRO 28 CO 0.10 -1.82 2.26 0.87 0.04 0.00 0.00 177.00 178.45 2wpv h LYS 29 N -1.24 0.00 -0.08 4.56 1.57 -1.98 -1.31 116.57 118.08 2wpv h LYS 29 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2wpv h LYS 29 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2wpv h LYS 29 CO 0.56 0.02 0.00 -1.13 -0.57 0.00 0.00 179.45 178.32 2wpv n SER 30 N -3.58 1.76 -4.72 0.86 3.41 -1.26 -4.96 113.62 105.13 2wpv n SER 30 Ca -0.03 -1.63 -0.43 0.00 -0.26 0.00 0.00 58.87 56.52 2wpv n SER 30 Cb 0.10 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 2wpv n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wpv n TYR 31 N 0.37 2.68 -3.57 7.33 9.36 -0.50 -4.99 117.16 127.84 2wpv n TYR 31 Ca 0.18 0.15 -0.18 0.00 3.32 0.00 0.00 57.90 61.36 2wpv n TYR 31 Cb 0.38 -2.62 -0.14 0.00 -0.63 0.00 0.00 39.34 36.32 2wpv n TYR 31 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 2wpv s THR 32 N 0.75 -0.29 0.08 2.97 2.01 -1.26 -5.03 115.64 114.87 2wpv s THR 32 Ca 0.72 0.03 -0.31 0.00 0.31 0.00 0.00 61.69 62.45 2wpv s THR 32 Cb -0.54 -0.55 -0.06 0.00 0.01 0.00 0.00 72.50 71.36 2wpv s THR 32 CO 0.38 -0.10 1.26 -0.75 -0.69 0.00 0.00 174.62 174.72 2wpv s LYS 33 N 2.30 4.40 0.13 4.92 2.20 -1.26 -4.91 119.74 127.51 2wpv s LYS 33 Ca 0.05 1.86 -0.34 0.00 -0.36 0.00 0.00 55.97 57.18 2wpv s LYS 33 Cb -0.14 -3.32 -0.14 0.00 -1.51 0.00 0.00 37.83 32.71 2wpv s LYS 33 CO -0.10 -0.32 1.56 -2.30 -0.36 0.00 0.00 175.35 173.84 2wpv n PRO 34 N 3.96 1.98 -0.03 4.03 -0.02 -1.26 -4.83 135.00 138.84 2wpv n PRO 34 Ca 0.10 0.71 0.14 0.00 -2.02 0.00 0.00 63.50 62.44 2wpv n PRO 34 Cb 0.45 -2.47 0.57 0.00 -0.02 0.00 0.00 33.50 32.04 2wpv n PRO 34 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wpv h LEU 35 N 5.92 0.22 -1.01 2.45 5.85 -1.97 0.84 115.31 127.60 2wpv h LEU 35 Ca -0.46 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2wpv h LEU 35 Cb 1.27 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.26 2wpv h LEU 35 CO 0.87 0.13 0.00 0.07 -0.34 0.00 0.00 178.44 179.18 2wpv h LYS 36 N 0.25 0.00 -0.01 1.25 2.10 -2.03 -2.38 116.57 115.75 2wpv h LYS 36 Ca 0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 2wpv h LYS 36 Cb 0.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 2wpv h LYS 36 CO -0.05 0.00 -0.57 -0.25 -2.00 0.00 0.00 179.45 176.58 2wpv n ASP 37 N -2.39 1.48 -4.68 7.07 8.00 0.28 -4.91 116.55 121.40 2wpv n ASP 37 Ca 0.01 -1.18 -0.42 0.00 0.71 0.00 0.00 54.79 53.91 2wpv n ASP 37 Cb 0.20 0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 41.80 2wpv n ASP 37 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wpv s VAL 38 N -2.65 3.92 0.00 2.53 1.01 -0.90 -4.88 120.40 119.43 2wpv s VAL 38 Ca 0.16 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.39 2wpv s VAL 38 Cb 0.18 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2wpv s VAL 38 CO 0.65 -0.03 0.00 0.35 0.00 0.00 0.00 175.10 176.06 2wpv n THR 39 N 4.86 0.00 -4.01 3.92 -2.24 -1.26 -5.01 114.28 110.54 2wpv n THR 39 Ca 0.13 -0.34 -0.23 0.00 -2.27 0.00 0.00 64.05 61.34 2wpv n THR 39 Cb 0.44 0.85 -0.17 0.00 -2.10 0.00 0.00 70.33 69.35 2wpv n THR 39 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2wpv s ASN 40 N -1.28 1.48 0.00 3.42 3.84 -1.26 -5.01 114.94 116.12 2wpv s ASN 40 Ca 0.00 -0.16 0.30 0.00 0.21 0.00 0.00 52.86 53.21 2wpv s ASN 40 Cb 0.00 -0.55 1.43 0.00 -0.55 0.00 0.00 41.25 41.58 2wpv s ASN 40 CO 0.00 -0.11 1.96 0.18 -2.79 0.00 0.00 177.10 176.34 2wpv n LEU 41 N 4.58 0.79 0.00 3.21 4.32 -1.26 -5.03 117.00 123.61 2wpv n LEU 41 Ca -0.16 -0.25 0.00 0.00 -0.02 0.00 0.00 56.01 55.57 2wpv n LEU 41 Cb 0.50 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 2wpv n LEU 41 CO 0.18 0.13 0.00 0.61 -1.22 0.00 0.00 177.39 177.09 2wpv n GLY 42 N 1.11 0.74 3.54 -0.72 0.00 -1.26 -4.92 105.19 103.68 2wpv n GLY 42 Ca 0.21 -1.43 -0.28 0.00 0.00 0.00 0.00 46.02 44.52 2wpv n GLY 42 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wpv s VAL 43 N 0.00 3.05 0.31 1.61 -7.23 -1.26 -5.09 120.40 111.79 2wpv s VAL 43 Ca 0.00 -1.61 -0.29 0.00 -1.81 0.00 0.00 61.98 58.27 2wpv s VAL 43 Cb 0.00 -2.47 -0.11 0.00 0.56 0.00 0.00 36.38 34.36 2wpv s VAL 43 CO 0.00 -0.03 1.47 -2.84 -0.31 0.00 0.00 175.10 173.38 2wpv s PRO 44 N -2.58 4.21 0.44 4.82 0.02 -1.26 -4.98 135.00 135.66 2wpv s PRO 44 Ca 0.22 2.43 -0.12 0.00 0.02 0.00 0.00 61.00 63.55 2wpv s PRO 44 Cb -0.09 -3.04 -0.07 0.00 0.02 0.00 0.00 34.50 31.31 2wpv s PRO 44 CO 0.13 -0.46 0.84 -0.51 -0.33 0.00 0.00 177.00 176.66 2wpv s LEU 45 N -1.08 3.76 1.00 -5.54 1.43 -1.26 -5.03 118.68 111.95 2wpv s LEU 45 Ca 0.57 1.26 -0.12 0.00 -1.03 0.00 0.00 54.13 54.81 2wpv s LEU 45 Cb -0.44 -4.16 0.19 0.00 0.03 0.00 0.00 46.19 41.81 2wpv s LEU 45 CO 0.51 -0.46 1.08 -2.16 0.23 0.00 0.00 176.35 175.55 2wpv s PRO 46 N -3.95 0.41 0.75 1.29 0.04 -1.26 -4.98 135.00 127.29 2wpv s PRO 46 Ca 0.53 0.86 -0.11 0.00 0.04 0.00 0.00 61.00 62.32 2wpv s PRO 46 Cb -0.10 -1.71 0.04 0.00 0.04 0.00 0.00 34.50 32.77 2wpv s PRO 46 CO 0.32 -2.83 1.09 0.95 0.04 0.00 0.00 177.00 176.57 2wpv s THR 47 N -2.77 3.41 0.51 1.26 -4.23 -1.26 -5.01 115.64 107.56 2wpv s THR 47 Ca 0.66 0.46 -0.20 0.00 -1.18 0.00 0.00 61.69 61.43 2wpv s THR 47 Cb -0.21 -3.30 -0.07 0.00 1.34 0.00 0.00 72.50 70.26 2wpv s THR 47 CO 0.59 -0.60 1.06 -0.76 -0.54 0.00 0.00 174.62 174.38 2wpv s LEU 48 N -5.58 3.79 -0.02 4.79 2.01 -1.26 -4.90 118.68 117.50 2wpv s LEU 48 Ca 0.59 1.99 0.02 0.00 0.01 0.00 0.00 54.13 56.74 2wpv s LEU 48 Cb -0.13 -4.56 0.10 0.00 0.01 0.00 0.00 46.19 41.61 2wpv s LEU 48 CO 0.54 -0.94 0.74 2.29 1.01 0.00 0.00 176.35 179.99 2wpv n LYS 49 N -1.16 1.45 -4.08 1.70 2.85 -1.26 -4.76 118.16 112.91 2wpv n LYS 49 Ca 0.10 -0.40 -0.12 0.00 -1.05 0.00 0.00 58.31 56.84 2wpv n LYS 49 Cb 0.52 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 33.29 2wpv n LYS 49 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2wpv s TYR 50 N -1.35 0.69 0.84 5.58 2.02 -1.26 -5.15 117.35 118.71 2wpv s TYR 50 Ca 0.07 -0.57 -0.12 0.00 -0.37 0.00 0.00 57.07 56.08 2wpv s TYR 50 Cb 0.05 -0.41 0.11 0.00 -0.40 0.00 0.00 41.96 41.31 2wpv s TYR 50 CO 0.02 -0.10 1.19 -1.59 -1.57 0.00 0.00 175.55 173.51 2wpv s LYS 51 N -1.93 1.63 -0.12 -0.62 -2.85 -1.26 -5.06 119.74 109.53 2wpv s LYS 51 Ca -0.07 -0.10 -0.04 0.00 -1.00 0.00 0.00 55.97 54.77 2wpv s LYS 51 Cb -0.08 -1.96 -0.03 0.00 -2.06 0.00 0.00 37.83 33.70 2wpv s LYS 51 CO -0.01 -1.77 0.02 -0.47 0.10 0.00 0.00 175.35 173.22 2wpv s TYR 52 N -3.61 3.18 -0.18 1.78 5.04 -1.26 -5.10 117.35 117.20 2wpv s TYR 52 Ca 0.65 0.10 -0.11 0.00 -2.44 0.00 0.00 57.07 55.27 2wpv s TYR 52 Cb -0.09 -1.89 -0.05 0.00 0.35 0.00 0.00 41.96 40.29 2wpv s TYR 52 CO 0.49 0.33 0.20 -1.59 -1.34 0.00 0.00 175.55 173.64 2wpv s LYS 53 N -0.42 4.19 0.00 4.97 -2.85 -1.26 -5.31 119.74 119.06 2wpv s LYS 53 Ca 0.08 -0.09 0.00 0.00 -1.00 0.00 0.00 55.97 54.96 2wpv s LYS 53 Cb -0.12 -3.42 0.00 0.00 -2.06 0.00 0.00 37.83 32.23 2wpv s LYS 53 CO 0.02 0.29 0.00 1.04 0.10 0.00 0.00 175.35 176.80