#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 0.62 -0.43 -2.82 0.13 -1.98 -3.15 132.00 124.38 1waz h PRO 25 Ca 0.00 -0.47 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1waz h PRO 25 Cb 0.00 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.19 1waz h PRO 25 CO 0.00 1.09 0.21 -0.39 -0.23 0.00 0.00 178.00 178.68 1waz h VAL 26 N 0.44 1.15 -0.82 1.56 -1.51 -1.99 -2.20 116.25 112.87 1waz h VAL 26 Ca -0.03 -0.40 0.06 0.00 -1.23 0.00 0.00 66.70 65.10 1waz h VAL 26 Cb 1.28 0.60 -0.05 0.00 -2.13 0.00 0.00 31.29 30.99 1waz h VAL 26 CO 0.13 0.17 0.54 0.25 -1.23 0.00 0.00 177.57 177.43 1waz h LEU 27 N 0.59 0.81 -0.57 4.19 7.12 -1.99 -1.94 115.31 123.52 1waz h LEU 27 Ca 0.15 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.15 1waz h LEU 27 Cb 0.06 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 39.99 1waz h LEU 27 CO -0.02 0.53 0.33 0.58 -0.13 0.00 0.00 178.44 179.73 1waz h VAL 28 N 0.93 1.18 -0.52 1.05 2.07 -1.50 -2.44 116.25 117.02 1waz h VAL 28 Ca 0.35 -0.45 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 1waz h VAL 28 Cb 0.18 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1waz h VAL 28 CO -0.12 0.19 -0.01 0.40 0.02 0.00 0.00 177.57 178.06 1waz h ILE 29 N 0.77 1.25 -0.75 4.57 2.04 -1.41 -2.23 117.51 121.76 1waz h ILE 29 Ca 0.20 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 1waz h ILE 29 Cb 0.02 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 1waz h ILE 29 CO -0.03 0.38 0.46 0.25 0.00 0.00 0.00 178.15 179.21 1waz h LEU 30 N 0.82 0.89 -0.17 1.44 5.85 -0.99 0.03 115.31 123.18 1waz h LEU 30 Ca 0.15 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1waz h LEU 30 Cb 0.50 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1waz h LEU 30 CO 0.03 0.68 -0.15 0.25 -0.34 0.00 0.00 178.44 178.91 1waz h LEU 31 N 1.02 0.43 -0.17 2.25 5.85 -1.29 -2.65 115.31 120.76 1waz h LEU 31 Ca 0.27 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1waz h LEU 31 Cb -0.05 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1waz h LEU 31 CO -0.05 0.81 0.06 1.23 -0.34 0.00 0.00 178.44 180.14 1waz h GLY 32 N 0.06 0.28 0.95 3.75 0.00 -1.17 -2.12 103.07 104.81 1waz h GLY 32 Ca 0.03 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.22 1waz h GLY 32 CO 0.04 0.15 0.49 -0.39 0.00 0.00 0.00 176.54 176.82 1waz h VAL 33 N 0.10 1.16 -0.89 4.60 -1.51 -1.05 -2.02 116.25 116.63 1waz h VAL 33 Ca 0.05 -0.33 -0.02 0.00 -1.23 0.00 0.00 66.70 65.17 1waz h VAL 33 Cb 0.21 0.10 -0.04 0.00 -2.13 0.00 0.00 31.29 29.42 1waz h VAL 33 CO -0.00 0.18 0.48 0.58 -1.23 0.00 0.00 177.57 177.57 1waz h VAL 34 N 0.97 1.26 -0.92 7.19 2.07 -1.28 -2.54 116.25 123.00 1waz h VAL 34 Ca 0.28 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 67.17 1waz h VAL 34 Cb -0.06 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 29.73 1waz h VAL 34 CO -0.08 0.30 0.61 1.23 0.02 0.00 0.00 177.57 179.64 1waz h GLY 35 N 1.25 1.32 1.05 2.17 0.00 -0.68 -1.91 103.07 106.26 1waz h GLY 35 Ca 0.31 -0.47 0.03 0.00 0.00 0.00 0.00 47.33 47.20 1waz h GLY 35 CO -0.05 0.42 0.58 1.41 0.00 0.00 0.00 176.54 178.91 1waz h LEU 36 N 1.19 0.97 -0.30 3.11 3.38 -1.15 -2.64 115.31 119.88 1waz h LEU 36 Ca 0.36 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.34 1waz h LEU 36 Cb -0.05 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1waz h LEU 36 CO -0.10 0.68 0.12 0.77 0.09 0.00 0.00 178.44 180.00 1waz h SER 37 N 1.13 0.14 -0.71 -0.43 4.64 -1.29 -1.27 113.55 115.77 1waz h SER 37 Ca 0.34 0.03 0.12 0.00 -0.47 0.00 0.00 61.79 61.80 1waz h SER 37 Cb -0.03 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.02 1waz h SER 37 CO -0.09 0.12 0.47 0.00 -0.87 0.00 0.00 176.83 176.46 1waz h ALA 38 N 1.18 1.97 -2.83 5.18 0.00 -1.44 -3.35 119.26 119.98 1waz h ALA 38 Ca 0.13 -0.01 -0.71 0.00 0.00 0.00 0.00 54.91 54.32 1waz h ALA 38 Cb 0.08 -0.10 -0.29 0.00 0.00 0.00 0.00 17.79 17.49 1waz h ALA 38 CO -0.12 -0.14 -0.48 -0.51 0.00 0.00 0.00 179.25 178.00 1waz s LEU 39 N -9.47 5.16 -0.20 0.00 1.43 -0.48 -4.90 118.68 110.22 1waz s LEU 39 Ca -0.08 -1.58 0.23 0.00 -1.03 0.00 0.00 54.13 51.67 1waz s LEU 39 Cb 0.20 -1.96 0.48 0.00 0.03 0.00 0.00 46.19 44.94 1waz s LEU 39 CO 0.76 -0.54 1.14 0.35 0.23 0.00 0.00 176.35 178.29 1waz n THR 40 N 4.88 0.92 -3.93 5.49 -2.24 -1.26 -4.80 114.28 113.35 1waz n THR 40 Ca -0.09 -2.38 -0.10 0.00 -2.27 0.00 0.00 64.05 59.20 1waz n THR 40 Cb 0.43 1.22 -0.12 0.00 -2.10 0.00 0.00 70.33 69.76 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 -3.27 0.13 1.15 3.38 0.00 -1.26 -5.15 107.32 102.29 1waz s GLY 41 Ca 0.28 -0.31 -0.15 0.00 0.00 0.00 0.00 44.72 44.54 1waz s GLY 41 CO -0.07 -0.36 1.05 -0.19 0.00 0.00 0.00 173.10 173.53 1waz s TYR 42 N -0.88 1.25 -0.30 1.90 2.02 -1.26 -5.06 117.35 115.03 1waz s TYR 42 Ca -0.10 0.92 -0.16 0.00 -0.37 0.00 0.00 57.07 57.36 1waz s TYR 42 Cb -0.06 -3.18 0.18 0.00 -0.40 0.00 0.00 41.96 38.50 1waz s TYR 42 CO -0.00 -3.71 1.11 -1.17 -1.57 0.00 0.00 175.55 170.21 1waz s LEU 43 N -7.01 -0.31 0.00 -1.29 2.96 -1.26 -5.17 118.68 106.60 1waz s LEU 43 Ca 0.68 0.47 -0.14 0.00 -0.22 0.00 0.00 54.13 54.92 1waz s LEU 43 Cb -0.19 1.42 0.21 0.00 0.50 0.00 0.00 46.19 48.13 1waz s LEU 43 CO 0.60 -0.07 0.69 0.47 -1.32 0.00 0.00 176.35 176.72 1waz n ASP 44 N 3.73 -1.99 -4.51 3.68 8.00 -1.26 -5.02 116.55 119.18 1waz n ASP 44 Ca -0.16 -0.88 -0.34 0.00 0.71 0.00 0.00 54.79 54.13 1waz n ASP 44 Cb 0.56 -0.65 -0.12 0.00 -0.02 0.00 0.00 41.12 40.89 1waz n ASP 44 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1waz s TYR 45 N -2.20 3.02 0.00 1.24 1.13 -1.26 -5.06 117.35 114.23 1waz s TYR 45 Ca 0.46 -0.25 0.00 0.00 -1.41 0.00 0.00 57.07 55.87 1waz s TYR 45 Cb -0.05 -1.93 0.00 0.00 -1.10 0.00 0.00 41.96 38.88 1waz s TYR 45 CO 0.36 0.02 0.00 0.28 -2.51 0.00 0.00 175.55 173.69 1waz n VAL 46 N 3.36 0.00 -0.19 -3.49 0.31 -1.26 -4.94 118.33 112.11 1waz n VAL 46 Ca -0.17 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.21 1waz n VAL 46 Cb 0.53 0.00 0.33 0.00 -0.91 0.00 0.00 33.84 33.78 1waz n VAL 46 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1waz h LEU 47 N 0.00 0.71 -7.12 7.52 5.85 -2.08 -3.40 115.31 116.79 1waz h LEU 47 Ca 0.00 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.50 1waz h LEU 47 Cb 0.00 -0.15 -0.33 0.00 0.37 0.00 0.00 40.66 40.55 1waz h LEU 47 CO 0.00 0.47 -0.53 -0.22 -0.34 0.00 0.00 178.44 177.81 1waz s LEU 48 N -9.75 -0.31 -0.87 2.25 1.98 -1.26 -5.04 118.68 105.68 1waz s LEU 48 Ca -0.10 0.51 -0.13 0.00 -2.89 0.00 0.00 54.13 51.52 1waz s LEU 48 Cb 0.19 0.71 -0.09 0.00 0.66 0.00 0.00 46.19 47.65 1waz s LEU 48 CO 0.77 -0.25 2.03 -0.81 -1.89 0.00 0.00 176.35 176.20 1waz n PRO 49 N 5.35 1.85 0.06 0.98 -0.04 -1.26 -4.63 135.00 137.31 1waz n PRO 49 Ca -0.06 -1.66 0.08 0.00 -0.04 0.00 0.00 63.50 61.83 1waz n PRO 49 Cb 0.50 -2.68 0.53 0.00 -0.04 0.00 0.00 33.50 31.81 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 6.99 1.93 -0.04 0.55 0.00 -1.97 -2.46 119.26 124.27 1waz h ALA 50 Ca 0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 1waz h ALA 50 Cb 0.39 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1waz h ALA 50 CO 1.68 0.01 -0.01 -0.07 0.00 0.00 0.00 179.25 180.87 1waz h LEU 51 N 0.30 0.07 -0.61 0.00 -0.00 -1.99 -0.24 115.31 112.84 1waz h LEU 51 Ca 0.14 -0.36 0.06 0.00 -0.00 0.00 0.00 57.88 57.72 1waz h LEU 51 Cb 0.18 -0.02 -0.05 0.00 -0.00 0.00 0.00 40.66 40.77 1waz h LEU 51 CO -0.03 0.41 0.32 0.00 -0.00 0.00 0.00 178.44 179.14 1waz h ALA 52 N 0.66 0.81 -0.38 1.53 0.00 -1.84 -1.58 119.26 118.45 1waz h ALA 52 Ca 0.01 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1waz h ALA 52 Cb 0.38 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1waz h ALA 52 CO 0.00 -0.03 0.01 0.82 0.00 0.00 0.00 179.25 180.05 1waz h ILE 53 N 0.59 1.26 -0.59 0.00 1.08 -1.39 -2.32 117.51 116.14 1waz h ILE 53 Ca 0.28 -0.98 0.08 0.00 -0.39 0.00 0.00 64.86 63.85 1waz h ILE 53 Cb 0.20 1.14 -0.06 0.00 -3.07 0.00 0.00 36.82 35.02 1waz h ILE 53 CO -0.19 0.33 0.25 0.15 -0.69 0.00 0.00 178.15 177.99 1waz h PHE 54 N 0.50 0.44 -0.44 1.37 3.57 -0.44 -1.39 116.94 120.54 1waz h PHE 54 Ca 0.11 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1waz h PHE 54 Cb 0.46 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1waz h PHE 54 CO 0.04 0.15 0.15 0.82 -2.23 0.00 0.00 178.31 177.24 1waz h ILE 55 N 0.45 1.21 -0.20 1.41 1.08 -1.20 -0.31 117.51 119.96 1waz h ILE 55 Ca 0.29 -0.69 0.05 0.00 -0.39 0.00 0.00 64.86 64.11 1waz h ILE 55 Cb 0.31 0.84 -0.05 0.00 -3.07 0.00 0.00 36.82 34.85 1waz h ILE 55 CO -0.26 0.25 -0.10 1.23 -0.69 0.00 0.00 178.15 178.58 1waz h GLY 56 N 0.57 0.08 1.25 5.37 0.00 -0.79 0.35 103.07 109.91 1waz h GLY 56 Ca 0.14 0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 1waz h GLY 56 CO -0.01 -0.12 0.21 -2.00 0.00 0.00 0.00 176.54 174.63 1waz h LEU 57 N -0.07 0.87 0.01 3.11 5.85 -1.16 0.38 115.31 124.30 1waz h LEU 57 Ca 0.11 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1waz h LEU 57 Cb 0.24 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1waz h LEU 57 CO -0.25 0.81 -0.01 0.74 -0.34 0.00 0.00 178.44 179.40 1waz h THR 58 N 0.92 1.17 -0.42 1.05 2.02 0.16 -0.80 112.91 117.01 1waz h THR 58 Ca 0.21 -0.54 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 1waz h THR 58 Cb 0.24 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1waz h THR 58 CO -0.01 0.14 -0.04 0.40 0.37 0.00 0.00 175.52 176.38 1waz h ILE 59 N -0.25 1.27 -0.13 3.11 1.08 -0.28 -1.88 117.51 120.43 1waz h ILE 59 Ca -0.00 -1.10 0.00 0.00 -0.39 0.00 0.00 64.86 63.37 1waz h ILE 59 Cb 0.24 1.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 1waz h ILE 59 CO 0.00 0.37 0.08 1.88 -0.69 0.00 0.00 178.15 179.80 1waz h TYR 60 N 0.60 0.15 -0.84 1.37 -1.99 -0.88 -0.98 116.97 114.41 1waz h TYR 60 Ca 0.11 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.87 1waz h TYR 60 Cb 0.55 -0.05 -0.04 0.00 2.00 0.00 0.00 36.73 39.18 1waz h TYR 60 CO 0.04 0.09 0.55 0.00 -0.00 0.00 0.00 178.16 178.84 1waz h ALA 61 N 1.06 1.08 -0.35 3.88 0.00 -1.10 -1.86 119.26 121.95 1waz h ALA 61 Ca 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1waz h ALA 61 Cb -0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1waz h ALA 61 CO -0.02 0.43 0.12 0.82 0.00 0.00 0.00 179.25 180.60 1waz h ILE 62 N 1.10 1.20 -0.87 0.00 2.04 -0.91 -1.26 117.51 118.81 1waz h ILE 62 Ca 0.32 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1waz h ILE 62 Cb -0.08 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1waz h ILE 62 CO -0.09 0.23 0.45 1.56 0.00 0.00 0.00 178.15 180.30 1waz h GLN 63 N 0.42 1.24 0.12 2.37 4.20 -0.94 0.37 115.11 122.89 1waz h GLN 63 Ca 0.11 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1waz h GLN 63 Cb 0.24 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1waz h GLN 63 CO -0.00 0.93 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.93 1waz h ARG 64 N 1.23 -0.16 -0.25 1.46 2.43 -1.13 0.21 114.38 118.17 1waz h ARG 64 Ca 0.30 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.51 1waz h ARG 64 Cb 0.08 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1waz h ARG 64 CO -0.04 0.11 0.07 0.87 -1.51 0.00 0.00 179.97 179.47 1waz h LYS 65 N -0.42 0.18 -0.61 0.20 1.79 -1.08 -1.56 116.57 115.07 1waz h LYS 65 Ca -0.02 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1waz h LYS 65 Cb 0.34 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.92 1waz h LYS 65 CO 0.03 0.12 0.36 0.00 -1.08 0.00 0.00 179.45 178.88 1waz h ARG 66 N 0.18 0.82 -2.23 3.15 3.08 -0.85 -3.44 114.38 115.09 1waz h ARG 66 Ca 0.11 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 1waz h ARG 66 Cb 0.09 -0.17 -0.21 0.00 0.08 0.00 0.00 29.97 29.76 1waz h ARG 66 CO -0.13 0.58 0.03 -1.14 -1.07 0.00 0.00 179.97 178.24 1waz s GLN 67 N -5.62 0.77 -0.11 0.04 0.74 0.73 -5.07 119.66 111.14 1waz s GLN 67 Ca -0.10 0.74 -0.05 0.00 0.05 0.00 0.00 55.36 56.01 1waz s GLN 67 Cb 0.17 0.37 -0.04 0.00 1.10 0.00 0.00 33.01 34.62 1waz s GLN 67 CO 0.77 -0.12 0.07 0.00 -0.55 0.00 0.00 175.29 175.45 1waz s ALA 68 N 0.05 3.56 -2.00 1.58 0.00 -1.20 -3.53 121.76 120.22 1waz s ALA 68 Ca -0.02 -0.73 0.17 0.00 0.00 0.00 0.00 51.96 51.38 1waz s ALA 68 Cb -0.04 -1.74 1.01 0.00 0.00 0.00 0.00 23.12 22.35 1waz s ALA 68 CO 0.02 0.56 1.42 -0.25 0.00 0.00 0.00 175.76 177.51