#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 0.00 -0.38 1.09 0.13 -1.95 -2.82 132.00 128.07 1waz h PRO 25 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1waz h PRO 25 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1waz h PRO 25 CO 0.00 0.22 0.15 -0.24 -0.23 0.00 0.00 178.00 177.90 1waz h VAL 26 N 0.00 1.15 -0.73 1.56 3.04 -2.00 -2.22 116.25 117.05 1waz h VAL 26 Ca -0.00 -0.47 0.04 0.00 -1.01 0.00 0.00 66.70 65.26 1waz h VAL 26 Cb 0.58 0.70 -0.04 0.00 -2.01 0.00 0.00 31.29 30.52 1waz h VAL 26 CO 0.03 0.18 0.48 0.25 -1.01 0.00 0.00 177.57 177.50 1waz h LEU 27 N 0.54 0.75 -0.60 3.16 7.12 -1.94 -2.08 115.31 122.25 1waz h LEU 27 Ca 0.13 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.13 1waz h LEU 27 Cb 0.12 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 40.05 1waz h LEU 27 CO -0.01 0.51 0.35 0.58 -0.13 0.00 0.00 178.44 179.74 1waz h VAL 28 N 0.86 1.18 -0.52 1.05 2.07 -1.55 -1.92 116.25 117.41 1waz h VAL 28 Ca 0.30 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 1waz h VAL 28 Cb 0.11 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1waz h VAL 28 CO -0.09 0.19 -0.01 0.40 0.02 0.00 0.00 177.57 178.08 1waz h ILE 29 N 0.81 1.25 -0.51 4.57 2.04 -1.44 -2.62 117.51 121.61 1waz h ILE 29 Ca 0.21 -1.08 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 1waz h ILE 29 Cb -0.00 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1waz h ILE 29 CO -0.04 0.39 0.20 0.25 0.00 0.00 0.00 178.15 178.95 1waz h LEU 30 N 0.83 0.72 -0.56 1.44 6.46 -0.99 -0.93 115.31 122.28 1waz h LEU 30 Ca 0.15 -0.17 -0.03 0.00 -0.12 0.00 0.00 57.88 57.71 1waz h LEU 30 Cb 0.51 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 1waz h LEU 30 CO 0.03 0.69 0.24 0.25 -0.62 0.00 0.00 178.44 179.04 1waz h LEU 31 N 0.69 0.75 -0.85 2.25 6.46 -1.23 -2.56 115.31 120.83 1waz h LEU 31 Ca 0.17 -0.15 -0.07 0.00 -0.12 0.00 0.00 57.88 57.71 1waz h LEU 31 Cb 0.21 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 1waz h LEU 31 CO -0.01 0.69 0.08 1.23 -0.62 0.00 0.00 178.44 179.80 1waz h GLY 32 N 0.75 1.01 0.75 3.75 0.00 -1.25 -2.87 103.07 105.22 1waz h GLY 32 Ca 0.19 -0.65 0.04 0.00 0.00 0.00 0.00 47.33 46.91 1waz h GLY 32 CO -0.02 0.60 0.32 -2.08 0.00 0.00 0.00 176.54 175.37 1waz h VAL 33 N 0.88 0.99 -0.99 4.60 2.07 -0.78 -1.86 116.25 121.17 1waz h VAL 33 Ca 0.18 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.50 1waz h VAL 33 Cb 0.41 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 1waz h VAL 33 CO 0.01 0.11 0.66 0.58 0.02 0.00 0.00 177.57 178.95 1waz h VAL 34 N 0.62 1.24 -0.92 2.57 2.07 -1.26 -2.29 116.25 118.28 1waz h VAL 34 Ca 0.25 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1waz h VAL 34 Cb 0.12 -0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 29.64 1waz h VAL 34 CO -0.15 0.24 0.59 1.23 0.02 0.00 0.00 177.57 179.51 1waz h GLY 35 N 1.33 1.31 1.11 2.17 0.00 -1.22 -2.17 103.07 105.60 1waz h GLY 35 Ca 0.37 -0.51 0.01 0.00 0.00 0.00 0.00 47.33 47.20 1waz h GLY 35 CO -0.09 0.50 0.59 1.41 0.00 0.00 0.00 176.54 178.95 1waz h LEU 36 N 1.26 1.00 -0.20 3.11 4.07 -1.01 -2.69 115.31 120.85 1waz h LEU 36 Ca 0.34 -0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.29 1waz h LEU 36 Cb -0.11 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.37 1waz h LEU 36 CO -0.07 0.72 0.09 -1.28 -1.08 0.00 0.00 178.44 176.82 1waz h SER 37 N 1.18 0.13 -0.68 -0.43 0.87 -1.21 -1.64 113.55 111.78 1waz h SER 37 Ca 0.33 0.01 0.12 0.00 -1.23 0.00 0.00 61.79 61.02 1waz h SER 37 Cb -0.11 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 61.79 1waz h SER 37 CO -0.08 0.11 0.46 0.00 -0.53 0.00 0.00 176.83 176.79 1waz h ALA 38 N 1.10 2.04 -2.68 6.23 0.00 -1.36 -3.33 119.26 121.26 1waz h ALA 38 Ca 0.08 -0.01 -0.72 0.00 0.00 0.00 0.00 54.91 54.26 1waz h ALA 38 Cb 0.02 -0.08 -0.30 0.00 0.00 0.00 0.00 17.79 17.44 1waz h ALA 38 CO -0.06 -0.21 -0.40 -0.51 0.00 0.00 0.00 179.25 178.07 1waz s LEU 39 N -9.38 5.65 -0.18 0.00 1.43 -0.62 -4.89 118.68 110.69 1waz s LEU 39 Ca -0.08 -1.90 0.19 0.00 -1.03 0.00 0.00 54.13 51.31 1waz s LEU 39 Cb 0.20 -2.00 0.46 0.00 0.03 0.00 0.00 46.19 44.89 1waz s LEU 39 CO 0.76 -0.68 1.16 0.35 0.23 0.00 0.00 176.35 178.17 1waz n THR 40 N 4.89 1.27 -3.93 5.49 -2.24 -1.25 -4.80 114.28 113.71 1waz n THR 40 Ca -0.08 -2.65 -0.10 0.00 -2.27 0.00 0.00 64.05 58.95 1waz n THR 40 Cb 0.41 0.54 -0.12 0.00 -2.10 0.00 0.00 70.33 69.06 1waz n THR 40 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1waz s GLY 41 N -3.16 0.13 1.24 3.38 0.00 -1.26 -5.15 107.32 102.49 1waz s GLY 41 Ca 0.35 -0.30 -0.18 0.00 0.00 0.00 0.00 44.72 44.59 1waz s GLY 41 CO -0.07 -0.36 1.03 -0.19 0.00 0.00 0.00 173.10 173.51 1waz s TYR 42 N -0.94 0.62 -0.30 1.90 2.02 -1.26 -5.07 117.35 114.33 1waz s TYR 42 Ca -0.10 0.77 -0.17 0.00 -0.37 0.00 0.00 57.07 57.19 1waz s TYR 42 Cb -0.06 -3.15 0.19 0.00 -0.40 0.00 0.00 41.96 38.53 1waz s TYR 42 CO -0.00 -4.10 1.19 -0.48 -1.57 0.00 0.00 175.55 170.59 1waz s LEU 43 N -7.24 -0.19 0.08 -1.29 2.34 -1.26 -5.15 118.68 105.97 1waz s LEU 43 Ca 0.69 0.31 -0.24 0.00 0.06 0.00 0.00 54.13 54.94 1waz s LEU 43 Cb -0.16 1.29 -0.06 0.00 -0.56 0.00 0.00 46.19 46.69 1waz s LEU 43 CO 0.59 -0.05 0.75 -0.62 -1.06 0.00 0.00 176.35 175.96 1waz s ASP 44 N 1.01 7.25 0.35 1.48 2.15 -1.26 -5.01 116.67 122.63 1waz s ASP 44 Ca -0.07 1.48 -0.29 0.00 0.43 0.00 0.00 52.55 54.11 1waz s ASP 44 Cb -0.03 -2.47 -0.11 0.00 -0.30 0.00 0.00 42.92 40.02 1waz s ASP 44 CO -0.11 0.10 1.46 -0.72 -0.17 0.00 0.00 175.17 175.72 1waz s TYR 45 N -0.48 2.72 0.00 -5.34 1.13 -1.26 -5.01 117.35 109.12 1waz s TYR 45 Ca 0.37 1.17 0.00 0.00 -1.41 0.00 0.00 57.07 57.19 1waz s TYR 45 Cb -0.21 -3.95 0.00 0.00 -1.10 0.00 0.00 41.96 36.70 1waz s TYR 45 CO 0.23 -2.82 0.00 1.33 -2.51 0.00 0.00 175.55 171.79 1waz n VAL 46 N 0.83 0.00 -0.03 -3.49 0.24 -1.26 -4.95 118.33 109.67 1waz n VAL 46 Ca 0.02 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.29 1waz n VAL 46 Cb 0.40 0.00 0.23 0.00 -1.47 0.00 0.00 33.84 32.99 1waz n VAL 46 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1waz h LEU 47 N 0.00 0.58 -6.96 1.34 5.85 -2.08 -3.40 115.31 110.64 1waz h LEU 47 Ca 0.00 -0.14 -0.46 0.00 0.84 0.00 0.00 57.88 58.12 1waz h LEU 47 Cb 0.00 -0.15 -0.40 0.00 0.37 0.00 0.00 40.66 40.47 1waz h LEU 47 CO 0.00 0.69 -0.74 -0.22 -0.34 0.00 0.00 178.44 177.83 1waz s LEU 48 N -8.98 0.33 -0.89 2.25 2.96 -1.26 -5.03 118.68 108.05 1waz s LEU 48 Ca -0.08 -0.72 -0.08 0.00 -0.22 0.00 0.00 54.13 53.03 1waz s LEU 48 Cb 0.15 -0.19 -0.07 0.00 0.50 0.00 0.00 46.19 46.58 1waz s LEU 48 CO 0.79 -0.37 2.07 -0.81 -1.32 0.00 0.00 176.35 176.71 1waz n PRO 49 N 5.28 1.99 0.23 0.98 -0.04 -1.26 -4.57 135.00 137.61 1waz n PRO 49 Ca -0.07 -1.52 0.06 0.00 -0.04 0.00 0.00 63.50 61.94 1waz n PRO 49 Cb 0.48 -2.53 0.55 0.00 -0.04 0.00 0.00 33.50 31.96 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 6.56 1.80 0.03 0.55 0.00 -1.97 -2.82 119.26 123.41 1waz h ALA 50 Ca 0.48 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1waz h ALA 50 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1waz h ALA 50 CO 1.52 0.15 -0.01 -0.07 0.00 0.00 0.00 179.25 180.84 1waz h LEU 51 N 0.00 -0.03 -0.76 0.00 3.38 -2.00 -0.62 115.31 115.28 1waz h LEU 51 Ca -0.00 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 57.75 1waz h LEU 51 Cb 0.21 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 1waz h LEU 51 CO 0.02 0.28 0.43 0.00 0.09 0.00 0.00 178.44 179.26 1waz h ALA 52 N 0.60 1.06 -0.37 1.53 0.00 -1.90 -1.88 119.26 118.30 1waz h ALA 52 Ca -0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1waz h ALA 52 Cb 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1waz h ALA 52 CO 0.01 0.08 0.06 0.82 0.00 0.00 0.00 179.25 180.22 1waz h ILE 53 N 0.75 1.24 -0.69 0.00 2.04 -1.39 -2.23 117.51 117.23 1waz h ILE 53 Ca 0.36 -0.85 0.10 0.00 1.00 0.00 0.00 64.86 65.46 1waz h ILE 53 Cb 0.29 1.07 -0.07 0.00 -0.74 0.00 0.00 36.82 37.37 1waz h ILE 53 CO -0.22 0.29 0.32 0.15 0.00 0.00 0.00 178.15 178.69 1waz h PHE 54 N 0.46 0.57 -0.40 1.37 3.57 -0.41 -1.58 116.94 120.52 1waz h PHE 54 Ca 0.11 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1waz h PHE 54 Cb 0.36 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1waz h PHE 54 CO 0.02 0.19 0.09 0.82 -2.23 0.00 0.00 178.31 177.21 1waz h ILE 55 N 0.54 1.23 -0.31 1.41 1.08 -1.21 -0.32 117.51 119.93 1waz h ILE 55 Ca 0.34 -0.80 0.06 0.00 -0.39 0.00 0.00 64.86 64.07 1waz h ILE 55 Cb 0.39 0.98 -0.06 0.00 -3.07 0.00 0.00 36.82 35.06 1waz h ILE 55 CO -0.28 0.28 -0.06 1.23 -0.69 0.00 0.00 178.15 178.62 1waz h GLY 56 N 0.51 0.25 1.25 5.37 0.00 -0.72 0.39 103.07 110.12 1waz h GLY 56 Ca 0.13 0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.47 1waz h GLY 56 CO 0.00 -0.11 0.08 -2.00 0.00 0.00 0.00 176.54 174.52 1waz h LEU 57 N 0.02 0.87 0.02 3.11 7.12 -1.20 0.74 115.31 125.99 1waz h LEU 57 Ca 0.15 -0.19 -0.00 0.00 0.13 0.00 0.00 57.88 57.97 1waz h LEU 57 Cb 0.23 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1waz h LEU 57 CO -0.31 0.89 -0.01 0.74 -0.13 0.00 0.00 178.44 179.62 1waz h THR 58 N 0.87 1.13 -0.38 1.05 2.02 0.30 -0.55 112.91 117.34 1waz h THR 58 Ca 0.18 -0.47 -0.09 0.00 0.77 0.00 0.00 66.41 66.80 1waz h THR 58 Cb 0.40 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1waz h THR 58 CO 0.01 0.12 -0.11 0.40 0.37 0.00 0.00 175.52 176.31 1waz h ILE 59 N -0.23 1.28 -0.13 3.11 1.08 -0.24 -1.90 117.51 120.47 1waz h ILE 59 Ca -0.00 -1.19 0.01 0.00 -0.39 0.00 0.00 64.86 63.28 1waz h ILE 59 Cb 0.22 1.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 1waz h ILE 59 CO 0.01 0.40 0.06 0.22 -0.69 0.00 0.00 178.15 178.14 1waz h TYR 60 N 0.54 0.11 -0.92 1.37 3.20 -0.80 -0.94 116.97 119.52 1waz h TYR 60 Ca 0.09 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1waz h TYR 60 Cb 0.63 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.82 1waz h TYR 60 CO 0.05 0.06 0.56 0.00 -1.64 0.00 0.00 178.16 177.19 1waz h ALA 61 N 1.07 1.17 -0.29 1.82 0.00 -1.08 -1.83 119.26 120.12 1waz h ALA 61 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1waz h ALA 61 Cb 0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1waz h ALA 61 CO -0.04 0.62 0.08 0.82 0.00 0.00 0.00 179.25 180.72 1waz h ILE 62 N 1.26 1.21 -0.80 0.00 2.04 -0.89 -0.74 117.51 119.60 1waz h ILE 62 Ca 0.33 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 1waz h ILE 62 Cb -0.07 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1waz h ILE 62 CO -0.06 0.23 0.33 1.56 0.00 0.00 0.00 178.15 180.21 1waz h GLN 63 N 0.31 1.19 0.13 2.37 4.20 -1.00 0.31 115.11 122.63 1waz h GLN 63 Ca 0.09 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1waz h GLN 63 Cb 0.28 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1waz h GLN 63 CO 0.00 0.95 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.96 1waz h ARG 64 N 1.16 -0.17 -0.32 1.46 2.43 -1.17 -0.00 114.38 117.77 1waz h ARG 64 Ca 0.27 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.48 1waz h ARG 64 Cb 0.20 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1waz h ARG 64 CO -0.02 0.13 0.11 0.87 -1.51 0.00 0.00 179.97 179.55 1waz h LYS 65 N -0.49 0.24 -0.92 0.20 1.57 -1.04 -1.92 116.57 114.21 1waz h LYS 65 Ca -0.02 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1waz h LYS 65 Cb 0.39 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.58 1waz h LYS 65 CO 0.03 0.16 0.59 0.00 -0.57 0.00 0.00 179.45 179.66 1waz h ARG 66 N 0.25 1.06 -2.88 3.15 3.08 -0.88 -3.45 114.38 114.72 1waz h ARG 66 Ca 0.14 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1waz h ARG 66 Cb 0.11 -0.24 -0.14 0.00 0.08 0.00 0.00 29.97 29.78 1waz h ARG 66 CO -0.14 0.70 0.15 1.14 -1.07 0.00 0.00 179.97 180.75 1waz s GLN 67 N -6.07 1.19 0.00 0.04 -2.07 -0.02 -5.02 119.66 107.71 1waz s GLN 67 Ca -0.13 -0.36 0.00 0.00 -1.82 0.00 0.00 55.36 53.05 1waz s GLN 67 Cb 0.19 0.55 0.00 0.00 -1.09 0.00 0.00 33.01 32.65 1waz s GLN 67 CO 0.80 -0.48 0.00 0.00 -1.32 0.00 0.00 175.29 174.29 1waz n ALA 68 N -0.07 0.00 -1.98 2.60 0.00 -1.24 -3.67 120.51 116.15 1waz n ALA 68 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1waz n ALA 68 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1waz n ALA 68 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03