#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1waz h PRO 25 N 0.00 0.33 -0.38 -2.82 0.13 -1.98 -3.11 132.00 124.17 1waz h PRO 25 Ca 0.00 -0.24 -0.03 0.00 -0.87 0.00 0.00 66.00 64.87 1waz h PRO 25 Cb 0.00 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.15 1waz h PRO 25 CO 0.00 0.86 0.12 0.28 -0.23 0.00 0.00 178.00 179.03 1waz h VAL 26 N 0.24 1.16 -0.81 1.56 2.07 -1.99 -2.37 116.25 116.11 1waz h VAL 26 Ca -0.01 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 67.02 1waz h VAL 26 Cb 1.17 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 1waz h VAL 26 CO 0.10 0.20 0.53 0.25 0.02 0.00 0.00 177.57 178.68 1waz h LEU 27 N 0.53 0.83 -0.63 2.57 6.46 -1.99 -2.00 115.31 121.09 1waz h LEU 27 Ca 0.13 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1waz h LEU 27 Cb 0.16 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.87 1waz h LEU 27 CO -0.01 0.56 0.41 0.58 -0.62 0.00 0.00 178.44 179.36 1waz h VAL 28 N 0.96 1.17 -0.54 1.05 2.07 -1.54 -2.21 116.25 117.20 1waz h VAL 28 Ca 0.33 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 1waz h VAL 28 Cb 0.11 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1waz h VAL 28 CO -0.11 0.17 0.02 0.40 0.02 0.00 0.00 177.57 178.08 1waz h ILE 29 N 0.86 1.25 -0.64 4.57 2.04 -1.43 -2.79 117.51 121.37 1waz h ILE 29 Ca 0.23 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 1waz h ILE 29 Cb -0.08 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1waz h ILE 29 CO -0.05 0.37 0.40 0.25 0.00 0.00 0.00 178.15 179.12 1waz h LEU 30 N 0.85 0.76 -0.63 1.44 6.46 -0.88 -1.14 115.31 122.17 1waz h LEU 30 Ca 0.16 -0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.84 1waz h LEU 30 Cb 0.47 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.18 1waz h LEU 30 CO 0.02 0.59 0.29 0.25 -0.62 0.00 0.00 178.44 178.97 1waz h LEU 31 N 0.87 0.84 -0.88 2.25 6.46 -1.26 -2.56 115.31 121.04 1waz h LEU 31 Ca 0.23 -0.15 -0.06 0.00 -0.12 0.00 0.00 57.88 57.78 1waz h LEU 31 Cb -0.04 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.65 1waz h LEU 31 CO -0.04 0.76 0.12 1.23 -0.62 0.00 0.00 178.44 179.89 1waz h GLY 32 N 0.88 1.03 0.76 3.75 0.00 -1.20 -2.82 103.07 105.46 1waz h GLY 32 Ca 0.21 -0.63 0.04 0.00 0.00 0.00 0.00 47.33 46.96 1waz h GLY 32 CO -0.02 0.59 0.30 -2.08 0.00 0.00 0.00 176.54 175.33 1waz h VAL 33 N 0.91 0.99 -0.96 4.60 2.07 -0.82 -1.93 116.25 121.12 1waz h VAL 33 Ca 0.19 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1waz h VAL 33 Cb 0.36 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 1waz h VAL 33 CO 0.00 0.11 0.63 0.58 0.02 0.00 0.00 177.57 178.92 1waz h VAL 34 N 0.59 1.23 -0.91 2.57 2.07 -1.25 -2.33 116.25 118.22 1waz h VAL 34 Ca 0.24 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.35 1waz h VAL 34 Cb 0.11 -0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 29.67 1waz h VAL 34 CO -0.14 0.23 0.59 1.23 0.02 0.00 0.00 177.57 179.50 1waz h GLY 35 N 1.29 1.32 0.91 2.17 0.00 -1.20 -1.74 103.07 105.81 1waz h GLY 35 Ca 0.36 -0.45 0.08 0.00 0.00 0.00 0.00 47.33 47.31 1waz h GLY 35 CO -0.08 0.40 0.53 -2.00 0.00 0.00 0.00 176.54 175.38 1waz h LEU 36 N 1.16 0.74 -0.11 3.11 5.85 -1.14 -2.37 115.31 122.55 1waz h LEU 36 Ca 0.36 0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.10 1waz h LEU 36 Cb -0.02 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1waz h LEU 36 CO -0.11 0.46 0.01 -1.28 -0.34 0.00 0.00 178.44 177.18 1waz h SER 37 N 0.83 -0.02 -0.89 1.25 0.87 -1.27 -1.95 113.55 112.37 1waz h SER 37 Ca 0.36 0.02 0.14 0.00 -1.23 0.00 0.00 61.79 61.08 1waz h SER 37 Cb 0.31 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.23 1waz h SER 37 CO -0.13 0.01 0.57 0.00 -0.53 0.00 0.00 176.83 176.75 1waz h ALA 38 N 1.08 1.82 -2.80 6.23 0.00 -1.39 -3.34 119.26 120.87 1waz h ALA 38 Ca 0.05 0.02 -0.72 0.00 0.00 0.00 0.00 54.91 54.26 1waz h ALA 38 Cb 0.05 -0.13 -0.29 0.00 0.00 0.00 0.00 17.79 17.42 1waz h ALA 38 CO -0.07 -0.07 -0.46 -0.48 0.00 0.00 0.00 179.25 178.17 1waz s LEU 39 N -9.81 5.29 -0.20 0.00 0.05 -0.73 -4.90 118.68 108.38 1waz s LEU 39 Ca -0.10 -1.67 0.24 0.00 0.05 0.00 0.00 54.13 52.64 1waz s LEU 39 Cb 0.22 -1.97 0.49 0.00 -2.05 0.00 0.00 46.19 42.88 1waz s LEU 39 CO 0.79 -0.58 1.13 0.41 -0.55 0.00 0.00 176.35 177.55 1waz n THR 40 N 4.87 0.95 -3.92 5.48 -1.04 -1.25 -4.78 114.28 114.59 1waz n THR 40 Ca -0.09 -2.43 -0.10 0.00 -2.04 0.00 0.00 64.05 59.39 1waz n THR 40 Cb 0.42 1.23 -0.11 0.00 -1.82 0.00 0.00 70.33 70.05 1waz n THR 40 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1waz s GLY 41 N -3.34 0.13 1.11 3.41 0.00 -1.26 -5.15 107.32 102.21 1waz s GLY 41 Ca 0.28 -0.30 -0.13 0.00 0.00 0.00 0.00 44.72 44.58 1waz s GLY 41 CO -0.07 -0.38 1.05 -0.47 0.00 0.00 0.00 173.10 173.23 1waz s TYR 42 N -1.07 1.58 -0.30 1.90 5.04 -1.26 -5.06 117.35 118.19 1waz s TYR 42 Ca -0.12 1.15 -0.16 0.00 -2.44 0.00 0.00 57.07 55.50 1waz s TYR 42 Cb -0.07 -3.15 0.18 0.00 0.35 0.00 0.00 41.96 39.27 1waz s TYR 42 CO -0.00 -3.56 1.13 -1.17 -1.34 0.00 0.00 175.55 170.61 1waz s LEU 43 N -6.98 -0.28 1.34 6.97 2.96 -1.26 -5.17 118.68 116.26 1waz s LEU 43 Ca 0.67 0.44 -0.22 0.00 -0.22 0.00 0.00 54.13 54.80 1waz s LEU 43 Cb -0.23 1.40 0.34 0.00 0.50 0.00 0.00 46.19 48.20 1waz s LEU 43 CO 0.62 -0.07 1.03 -1.81 -1.32 0.00 0.00 176.35 174.81 1waz s ASP 44 N 1.33 -0.30 -0.22 3.68 1.01 -1.26 -4.99 116.67 115.92 1waz s ASP 44 Ca -0.08 0.60 -0.11 0.00 0.71 0.00 0.00 52.55 53.68 1waz s ASP 44 Cb -0.03 -0.80 -0.05 0.00 1.01 0.00 0.00 42.92 43.06 1waz s ASP 44 CO -0.13 -4.87 0.18 -0.72 0.21 0.00 0.00 175.17 169.85 1waz s TYR 45 N -2.70 3.36 0.00 4.23 1.13 -1.26 -5.08 117.35 117.04 1waz s TYR 45 Ca 0.71 0.32 0.00 0.00 -1.41 0.00 0.00 57.07 56.69 1waz s TYR 45 Cb -0.09 -2.26 0.00 0.00 -1.10 0.00 0.00 41.96 38.51 1waz s TYR 45 CO 0.56 0.15 0.00 1.55 -2.51 0.00 0.00 175.55 175.30 1waz n VAL 46 N 3.97 0.00 -0.20 -3.49 3.14 -1.26 -4.97 118.33 115.52 1waz n VAL 46 Ca -0.15 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.17 1waz n VAL 46 Cb 0.52 -0.79 0.03 0.00 -1.06 0.00 0.00 33.84 32.53 1waz n VAL 46 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1waz h LEU 47 N 0.00 0.73 -7.56 6.55 -0.00 -2.07 -3.39 115.31 109.56 1waz h LEU 47 Ca 0.00 -0.10 -0.58 0.00 -0.00 0.00 0.00 57.88 57.20 1waz h LEU 47 Cb 0.00 -0.19 -0.38 0.00 -0.00 0.00 0.00 40.66 40.09 1waz h LEU 47 CO 0.00 0.62 -0.78 -0.22 -0.00 0.00 0.00 178.44 178.05 1waz s LEU 48 N -9.95 2.10 -0.80 1.67 0.20 -1.26 -5.02 118.68 105.63 1waz s LEU 48 Ca -0.13 -1.00 -0.14 0.00 0.69 0.00 0.00 54.13 53.54 1waz s LEU 48 Cb 0.13 -1.01 -0.11 0.00 -0.43 0.00 0.00 46.19 44.76 1waz s LEU 48 CO 0.77 -0.24 1.97 -0.81 -0.29 0.00 0.00 176.35 177.75 1waz n PRO 49 N 4.79 1.68 0.13 0.98 -0.04 -1.26 -4.62 135.00 136.65 1waz n PRO 49 Ca -0.11 -1.63 0.06 0.00 -0.04 0.00 0.00 63.50 61.77 1waz n PRO 49 Cb 0.45 -2.69 0.51 0.00 -0.04 0.00 0.00 33.50 31.74 1waz n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1waz h ALA 50 N 7.26 1.81 0.01 0.55 0.00 -1.97 -2.62 119.26 124.31 1waz h ALA 50 Ca 0.44 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 1waz h ALA 50 Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1waz h ALA 50 CO 1.71 0.16 -0.01 1.25 0.00 0.00 0.00 179.25 182.37 1waz h LEU 51 N 0.27 -0.01 -0.61 0.00 6.46 -1.99 0.91 115.31 120.33 1waz h LEU 51 Ca 0.07 -0.29 0.06 0.00 -0.12 0.00 0.00 57.88 57.60 1waz h LEU 51 Cb 0.02 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 39.90 1waz h LEU 51 CO -0.01 0.29 0.31 0.00 -0.62 0.00 0.00 178.44 178.41 1waz h ALA 52 N 0.66 0.81 -0.35 1.25 0.00 -1.88 -1.24 119.26 118.50 1waz h ALA 52 Ca -0.00 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1waz h ALA 52 Cb 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1waz h ALA 52 CO 0.00 -0.04 -0.03 0.82 0.00 0.00 0.00 179.25 180.00 1waz h ILE 53 N 0.58 1.27 -0.50 0.00 1.08 -1.39 -2.21 117.51 116.34 1waz h ILE 53 Ca 0.28 -1.04 0.07 0.00 -0.39 0.00 0.00 64.86 63.78 1waz h ILE 53 Cb 0.22 1.23 -0.06 0.00 -3.07 0.00 0.00 36.82 35.14 1waz h ILE 53 CO -0.20 0.34 0.18 0.15 -0.69 0.00 0.00 178.15 177.94 1waz h PHE 54 N 0.45 0.32 -0.41 1.37 3.57 -0.22 -1.04 116.94 120.98 1waz h PHE 54 Ca 0.10 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1waz h PHE 54 Cb 0.51 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1waz h PHE 54 CO 0.04 0.11 0.15 0.82 -2.23 0.00 0.00 178.31 177.20 1waz h ILE 55 N 0.36 1.21 -0.16 1.41 1.08 -1.18 0.41 117.51 120.64 1waz h ILE 55 Ca 0.24 -0.66 0.04 0.00 -0.39 0.00 0.00 64.86 64.09 1waz h ILE 55 Cb 0.25 0.87 -0.04 0.00 -3.07 0.00 0.00 36.82 34.82 1waz h ILE 55 CO -0.24 0.24 -0.10 1.23 -0.69 0.00 0.00 178.15 178.58 1waz h GLY 56 N 0.52 0.03 1.18 5.37 0.00 -0.75 0.52 103.07 109.94 1waz h GLY 56 Ca 0.14 0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 1waz h GLY 56 CO -0.01 -0.12 0.25 -2.00 0.00 0.00 0.00 176.54 174.66 1waz h LEU 57 N -0.10 0.97 0.01 3.11 7.12 -1.09 0.15 115.31 125.48 1waz h LEU 57 Ca 0.10 -0.15 -0.00 0.00 0.13 0.00 0.00 57.88 57.95 1waz h LEU 57 Cb 0.24 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 40.12 1waz h LEU 57 CO -0.23 0.88 -0.00 0.74 -0.13 0.00 0.00 178.44 179.70 1waz h THR 58 N 1.02 1.18 -0.35 1.05 2.02 0.16 -0.47 112.91 117.52 1waz h THR 58 Ca 0.23 -0.56 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 1waz h THR 58 Cb 0.24 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1waz h THR 58 CO -0.01 0.15 -0.08 0.40 0.37 0.00 0.00 175.52 176.34 1waz h ILE 59 N -0.25 1.28 -0.14 3.11 2.04 0.07 -2.12 117.51 121.50 1waz h ILE 59 Ca -0.00 -1.14 0.01 0.00 1.00 0.00 0.00 64.86 64.73 1waz h ILE 59 Cb 0.25 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1waz h ILE 59 CO 0.00 0.37 0.07 0.22 0.00 0.00 0.00 178.15 178.81 1waz h TYR 60 N 0.45 0.13 -0.99 1.37 3.20 -0.67 -1.98 116.97 118.48 1waz h TYR 60 Ca 0.09 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.01 1waz h TYR 60 Cb 0.58 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.75 1waz h TYR 60 CO 0.05 0.07 0.65 0.00 -1.64 0.00 0.00 178.16 177.29 1waz h ALA 61 N 1.07 1.37 -0.40 1.82 0.00 -1.06 -2.57 119.26 119.50 1waz h ALA 61 Ca 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1waz h ALA 61 Cb 0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1waz h ALA 61 CO -0.04 0.52 0.19 0.82 0.00 0.00 0.00 179.25 180.74 1waz h ILE 62 N 1.23 1.17 -0.95 0.00 1.08 -0.85 -0.89 117.51 118.31 1waz h ILE 62 Ca 0.40 -0.50 0.02 0.00 -0.39 0.00 0.00 64.86 64.39 1waz h ILE 62 Cb 0.04 0.77 -0.05 0.00 -3.07 0.00 0.00 36.82 34.51 1waz h ILE 62 CO -0.13 0.19 0.62 1.56 -0.69 0.00 0.00 178.15 179.70 1waz h GLN 63 N 0.50 1.20 -0.00 2.37 4.20 -1.03 0.54 115.11 122.89 1waz h GLN 63 Ca 0.14 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 1waz h GLN 63 Cb 0.12 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 1waz h GLN 63 CO -0.02 0.80 -0.00 0.00 -0.67 0.00 0.00 178.83 178.94 1waz h ARG 64 N 1.24 0.01 0.01 1.46 3.08 -1.15 0.37 114.38 119.39 1waz h ARG 64 Ca 0.36 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.42 1waz h ARG 64 Cb -0.07 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1waz h ARG 64 CO -0.10 0.38 -0.09 0.87 -1.07 0.00 0.00 179.97 179.95 1waz h LYS 65 N -0.36 -0.16 -0.61 0.04 6.56 -0.92 -1.50 116.57 119.62 1waz h LYS 65 Ca 0.00 0.01 0.04 0.00 -1.06 0.00 0.00 60.65 59.64 1waz h LYS 65 Cb 0.37 0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.04 1waz h LYS 65 CO 0.00 -0.11 0.41 0.00 -2.06 0.00 0.00 179.45 177.69 1waz h ARG 66 N -0.17 0.68 -1.87 3.15 3.08 -0.90 -3.44 114.38 114.92 1waz h ARG 66 Ca 0.03 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1waz h ARG 66 Cb 0.21 -0.15 -0.23 0.00 0.08 0.00 0.00 29.97 29.88 1waz h ARG 66 CO -0.09 0.45 0.22 -1.14 -1.07 0.00 0.00 179.97 178.34 1waz s GLN 67 N -5.62 0.72 -0.26 0.04 0.74 0.12 -5.08 119.66 110.32 1waz s GLN 67 Ca -0.09 0.89 -0.26 0.00 0.05 0.00 0.00 55.36 55.95 1waz s GLN 67 Cb 0.18 0.33 0.11 0.00 1.10 0.00 0.00 33.01 34.73 1waz s GLN 67 CO 0.76 -0.09 0.93 0.00 -0.55 0.00 0.00 175.29 176.34 1waz s ALA 68 N 0.46 -1.91 -2.00 1.58 0.00 -1.17 -3.45 121.76 115.27 1waz s ALA 68 Ca -0.00 1.87 0.25 0.00 0.00 0.00 0.00 51.96 54.09 1waz s ALA 68 Cb -0.05 -1.26 1.51 0.00 0.00 0.00 0.00 23.12 23.32 1waz s ALA 68 CO -0.03 -0.27 1.87 -3.47 0.00 0.00 0.00 175.76 173.85