#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1waz n PRO 25 N 0.00 0.12 -0.05 1.09 -0.04 -1.26 -2.85 135.00 132.01 1waz n PRO 25 Ca 0.00 0.35 -0.05 0.00 -0.04 0.00 0.00 63.50 63.76 1waz n PRO 25 Cb 0.00 -1.73 0.16 0.00 -0.04 0.00 0.00 33.50 31.89 1waz n PRO 25 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1waz h VAL 26 N 0.00 1.26 -0.76 0.52 2.07 -1.99 -2.80 116.25 114.54 1waz h VAL 26 Ca 0.00 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.36 1waz h VAL 26 Cb 0.34 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1waz h VAL 26 CO 0.00 0.40 0.50 0.25 0.02 0.00 0.00 177.57 178.74 1waz h LEU 27 N 0.60 0.80 -0.66 2.57 6.46 -1.97 -2.16 115.31 120.95 1waz h LEU 27 Ca 0.10 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1waz h LEU 27 Cb 0.61 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 1waz h LEU 27 CO 0.04 0.55 0.41 0.58 -0.62 0.00 0.00 178.44 179.41 1waz h VAL 28 N 0.93 1.18 -0.55 1.05 2.07 -1.68 -2.00 116.25 117.26 1waz h VAL 28 Ca 0.30 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 1waz h VAL 28 Cb 0.05 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1waz h VAL 28 CO -0.09 0.18 0.02 0.40 0.02 0.00 0.00 177.57 178.10 1waz h ILE 29 N 0.89 1.25 -0.52 4.57 2.04 -1.44 -2.56 117.51 121.75 1waz h ILE 29 Ca 0.24 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.01 1waz h ILE 29 Cb -0.06 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1waz h ILE 29 CO -0.05 0.38 0.22 0.25 0.00 0.00 0.00 178.15 178.96 1waz h LEU 30 N 0.86 0.70 -0.52 1.44 6.46 -0.97 -0.57 115.31 122.71 1waz h LEU 30 Ca 0.16 -0.15 -0.04 0.00 -0.12 0.00 0.00 57.88 57.73 1waz h LEU 30 Cb 0.49 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 1waz h LEU 30 CO 0.02 0.66 0.19 0.25 -0.62 0.00 0.00 178.44 178.94 1waz h LEU 31 N 0.69 0.74 -0.74 2.25 5.85 -1.25 -2.47 115.31 120.39 1waz h LEU 31 Ca 0.17 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1waz h LEU 31 Cb 0.17 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1waz h LEU 31 CO -0.02 0.73 0.08 1.23 -0.34 0.00 0.00 178.44 180.12 1waz h GLY 32 N 0.71 1.12 0.86 3.75 0.00 -1.24 -2.74 103.07 105.52 1waz h GLY 32 Ca 0.17 -0.75 0.02 0.00 0.00 0.00 0.00 47.33 46.78 1waz h GLY 32 CO -0.01 0.69 0.25 -2.08 0.00 0.00 0.00 176.54 175.39 1waz h VAL 33 N 0.97 1.02 -0.86 4.60 2.07 -0.81 -2.24 116.25 121.01 1waz h VAL 33 Ca 0.19 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1waz h VAL 33 Cb 0.45 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1waz h VAL 33 CO 0.02 0.09 0.52 0.58 0.02 0.00 0.00 177.57 178.80 1waz h VAL 34 N 0.50 1.24 -0.86 2.57 2.07 -1.27 -2.52 116.25 117.98 1waz h VAL 34 Ca 0.18 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.20 1waz h VAL 34 Cb 0.04 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 29.79 1waz h VAL 34 CO -0.10 0.25 0.57 1.23 0.02 0.00 0.00 177.57 179.54 1waz h GLY 35 N 1.18 1.21 1.16 2.17 0.00 -1.12 -2.16 103.07 105.50 1waz h GLY 35 Ca 0.31 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1waz h GLY 35 CO -0.06 0.44 0.55 -2.00 0.00 0.00 0.00 176.54 175.47 1waz h LEU 36 N 1.16 0.99 -0.27 3.11 5.85 -1.00 -2.75 115.31 122.40 1waz h LEU 36 Ca 0.32 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.02 1waz h LEU 36 Cb -0.13 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.63 1waz h LEU 36 CO -0.07 0.73 0.13 -1.28 -0.34 0.00 0.00 178.44 177.60 1waz h SER 37 N 1.16 0.18 -0.68 1.25 0.87 -1.18 -1.52 113.55 113.64 1waz h SER 37 Ca 0.31 0.01 0.13 0.00 -1.23 0.00 0.00 61.79 61.01 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 -0.06 0.14 0.45 0.00 -0.53 0.00 0.00 176.83 176.83 1waz h ALA 38 N 1.14 2.09 -2.94 6.23 0.00 -1.37 -3.36 119.26 121.05 1waz h ALA 38 Ca 0.11 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 54.31 1waz h ALA 38 Cb 0.04 -0.07 -0.26 0.00 0.00 0.00 0.00 17.79 17.50 1waz h ALA 38 CO -0.08 -0.26 -0.55 -1.17 0.00 0.00 0.00 179.25 177.19 1waz s LEU 39 N -9.32 4.58 -0.30 0.00 2.96 -0.57 -4.90 118.68 111.13 1waz s LEU 39 Ca -0.08 -1.06 0.17 0.00 -0.22 0.00 0.00 54.13 52.94 1waz s LEU 39 Cb 0.20 -1.96 0.45 0.00 0.50 0.00 0.00 46.19 45.38 1waz s LEU 39 CO 0.76 -0.37 1.35 0.41 -1.32 0.00 0.00 176.35 177.18 1waz n THR 40 N 4.93 0.55 -1.08 3.68 -1.04 -1.26 -4.81 114.28 115.25 1waz n THR 40 Ca -0.12 -1.82 0.00 0.00 -2.04 0.00 0.00 64.05 60.07 1waz n THR 40 Cb 0.45 1.13 0.00 0.00 -1.82 0.00 0.00 70.33 70.09 1waz n THR 40 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1waz n GLY 41 N -1.11 2.07 3.04 3.41 0.00 -1.26 -5.13 105.19 106.20 1waz n GLY 41 Ca -0.07 -1.90 -0.16 0.00 0.00 0.00 0.00 46.02 43.89 1waz n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1waz s TYR 42 N 2.92 0.73 -0.28 1.61 2.02 -1.26 -5.14 117.35 117.95 1waz s TYR 42 Ca 0.00 -0.27 -0.23 0.00 -0.37 0.00 0.00 57.07 56.20 1waz s TYR 42 Cb 0.00 -0.45 0.12 0.00 -0.40 0.00 0.00 41.96 41.23 1waz s TYR 42 CO 0.00 -0.02 0.98 -1.17 -1.57 0.00 0.00 175.55 173.76 1waz s LEU 43 N -0.75 -0.51 0.00 -1.29 2.96 -1.26 -5.17 118.68 112.65 1waz s LEU 43 Ca -0.01 0.94 0.00 0.00 -0.22 0.00 0.00 54.13 54.84 1waz s LEU 43 Cb -0.06 1.93 0.00 0.00 0.50 0.00 0.00 46.19 48.57 1waz s LEU 43 CO 0.00 -0.16 0.00 -0.67 -1.32 0.00 0.00 176.35 174.20 1waz n ASP 44 N 2.67 0.00 -4.66 3.68 -0.08 -1.26 -5.00 116.55 111.89 1waz n ASP 44 Ca -0.14 -0.58 -0.40 0.00 -1.51 0.00 0.00 54.79 52.16 1waz n ASP 44 Cb 0.56 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.97 1waz n ASP 44 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 1waz s TYR 45 N -0.46 3.38 0.00 -0.67 1.13 -1.26 -5.04 117.35 114.43 1waz s TYR 45 Ca 0.00 0.95 0.00 0.00 -1.41 0.00 0.00 57.07 56.61 1waz s TYR 45 Cb 0.00 -2.82 0.00 0.00 -1.10 0.00 0.00 41.96 38.04 1waz s TYR 45 CO 0.00 -0.18 0.00 1.33 -2.51 0.00 0.00 175.55 174.19 1waz n VAL 46 N 4.71 0.00 -0.31 -3.49 0.24 -1.26 -4.95 118.33 113.27 1waz n VAL 46 Ca -0.01 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.36 1waz n VAL 46 Cb 0.50 0.00 0.27 0.00 -1.47 0.00 0.00 33.84 33.14 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 0.85 -7.16 1.34 5.85 -2.07 -3.42 115.31 110.69 1waz h LEU 47 Ca 0.00 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1waz h LEU 47 Cb 0.00 -0.15 -0.23 0.00 0.37 0.00 0.00 40.66 40.65 1waz h LEU 47 CO 0.00 0.49 -0.12 -0.22 -0.34 0.00 0.00 178.44 178.26 1waz s LEU 48 N -10.02 -0.20 -0.99 2.25 2.96 -1.26 -5.04 118.68 106.37 1waz s LEU 48 Ca -0.11 1.11 -0.12 0.00 -0.22 0.00 0.00 54.13 54.79 1waz s LEU 48 Cb 0.21 1.82 -0.08 0.00 0.50 0.00 0.00 46.19 48.64 1waz s LEU 48 CO 0.80 -0.20 2.15 -0.81 -1.32 0.00 0.00 176.35 176.97 1waz n PRO 49 N 3.35 2.13 -0.28 0.98 -0.04 -1.26 -4.67 135.00 135.21 1waz n PRO 49 Ca -0.17 -1.73 0.05 0.00 -0.04 0.00 0.00 63.50 61.61 1waz n PRO 49 Cb 0.56 -2.69 0.19 0.00 -0.04 0.00 0.00 33.50 31.52 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 6.62 1.19 0.01 0.55 0.00 -1.98 0.25 119.26 125.90 1waz h ALA 50 Ca 0.52 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.49 1waz h ALA 50 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1waz h ALA 50 CO 1.67 -0.01 -0.01 -0.07 0.00 0.00 0.00 179.25 180.83 1waz h LEU 51 N 0.68 -0.01 -0.71 0.00 3.38 -2.00 -0.76 115.31 115.89 1waz h LEU 51 Ca 0.42 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 58.12 1waz h LEU 51 Cb 0.50 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 1waz h LEU 51 CO -0.30 0.34 0.38 0.00 0.09 0.00 0.00 178.44 178.94 1waz h ALA 52 N 0.62 0.98 -0.39 1.53 0.00 -1.80 -1.76 119.26 118.43 1waz h ALA 52 Ca -0.00 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1waz h ALA 52 Cb 0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1waz h ALA 52 CO 0.00 0.02 0.07 0.82 0.00 0.00 0.00 179.25 180.16 1waz h ILE 53 N 0.67 1.24 -0.66 0.00 5.03 -0.89 -2.24 117.51 120.66 1waz h ILE 53 Ca 0.34 -0.85 0.09 0.00 -0.12 0.00 0.00 64.86 64.32 1waz h ILE 53 Cb 0.29 1.05 -0.07 0.00 -3.03 0.00 0.00 36.82 35.05 1waz h ILE 53 CO -0.23 0.29 0.30 0.15 -0.68 0.00 0.00 178.15 177.98 1waz h PHE 54 N 0.49 0.53 -0.44 1.37 3.57 -0.38 -1.54 116.94 120.54 1waz h PHE 54 Ca 0.12 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1waz h PHE 54 Cb 0.36 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1waz h PHE 54 CO 0.02 0.17 0.11 0.82 -2.23 0.00 0.00 178.31 177.21 1waz h ILE 55 N 0.52 1.23 -0.29 1.41 1.08 -1.20 -0.91 117.51 119.35 1waz h ILE 55 Ca 0.33 -0.80 0.06 0.00 -0.39 0.00 0.00 64.86 64.06 1waz h ILE 55 Cb 0.37 0.91 -0.06 0.00 -3.07 0.00 0.00 36.82 34.97 1waz h ILE 55 CO -0.28 0.28 -0.09 1.23 -0.69 0.00 0.00 178.15 178.60 1waz h GLY 56 N 0.58 0.18 1.33 5.37 0.00 -0.71 0.35 103.07 110.18 1waz h GLY 56 Ca 0.14 0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.53 1waz h GLY 56 CO 0.00 -0.12 0.16 1.41 0.00 0.00 0.00 176.54 177.99 1waz h LEU 57 N -0.02 0.78 -0.01 3.11 3.38 -1.19 0.61 115.31 121.97 1waz h LEU 57 Ca 0.14 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1waz h LEU 57 Cb 0.24 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1waz h LEU 57 CO -0.31 0.75 0.00 0.74 0.09 0.00 0.00 178.44 179.72 1waz h THR 58 N 0.82 1.20 -0.38 0.22 2.02 0.30 -0.67 112.91 116.42 1waz h THR 58 Ca 0.18 -0.59 -0.08 0.00 0.77 0.00 0.00 66.41 66.69 1waz h THR 58 Cb 0.27 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1waz h THR 58 CO -0.01 0.16 -0.06 0.40 0.37 0.00 0.00 175.52 176.38 1waz h ILE 59 N -0.23 1.27 -0.08 3.11 1.08 -0.27 -1.78 117.51 120.61 1waz h ILE 59 Ca 0.00 -1.12 0.00 0.00 -0.39 0.00 0.00 64.86 63.35 1waz h ILE 59 Cb 0.25 1.23 -0.00 0.00 -3.07 0.00 0.00 36.82 35.23 1waz h ILE 59 CO 0.00 0.37 0.05 1.88 -0.69 0.00 0.00 178.15 179.76 1waz h TYR 60 N 0.51 0.10 -0.92 1.37 0.05 -0.85 -1.42 116.97 115.81 1waz h TYR 60 Ca 0.10 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.90 1waz h TYR 60 Cb 0.57 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 38.22 1waz h TYR 60 CO 0.05 0.06 0.61 0.00 -1.05 0.00 0.00 178.16 177.82 1waz h ALA 61 N 1.03 1.19 -0.32 3.88 0.00 -1.10 -2.26 119.26 121.67 1waz h ALA 61 Ca 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1waz h ALA 61 Cb -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1waz h ALA 61 CO -0.01 0.52 0.14 0.82 0.00 0.00 0.00 179.25 180.73 1waz h ILE 62 N 1.21 1.17 -0.96 0.00 1.08 -0.89 -0.98 117.51 118.14 1waz h ILE 62 Ca 0.35 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1waz h ILE 62 Cb -0.08 0.91 -0.05 0.00 -3.07 0.00 0.00 36.82 34.53 1waz h ILE 62 CO -0.09 0.18 0.61 1.56 -0.69 0.00 0.00 178.15 179.71 1waz h GLN 63 N 0.38 1.29 0.09 2.37 4.20 -1.02 0.25 115.11 122.66 1waz h GLN 63 Ca 0.11 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1waz h GLN 63 Cb 0.15 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 27.66 1waz h GLN 63 CO -0.01 0.88 -0.04 -0.09 -0.67 0.00 0.00 178.83 178.89 1waz h ARG 64 N 1.31 -0.12 -0.15 1.46 2.43 -1.13 0.05 114.38 118.23 1waz h ARG 64 Ca 0.35 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.55 1waz h ARG 64 Cb -0.10 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 1waz h ARG 64 CO -0.07 0.21 -0.03 0.87 -1.51 0.00 0.00 179.97 179.44 1waz h LYS 65 N -0.46 0.01 -0.91 0.20 1.57 -0.99 -1.63 116.57 114.36 1waz h LYS 65 Ca -0.01 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1waz h LYS 65 Cb 0.38 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.63 1waz h LYS 65 CO 0.02 0.01 0.59 0.00 -0.57 0.00 0.00 179.45 179.50 1waz h ARG 66 N 0.01 1.02 -1.97 3.15 3.08 -0.93 -3.44 114.38 115.30 1waz h ARG 66 Ca 0.07 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1waz h ARG 66 Cb 0.10 -0.23 -0.21 0.00 0.08 0.00 0.00 29.97 29.71 1waz h ARG 66 CO -0.14 0.67 0.16 -1.14 -1.07 0.00 0.00 179.97 178.46 1waz s GLN 67 N -5.92 0.85 -0.00 0.04 0.74 -0.00 -5.07 119.66 110.30 1waz s GLN 67 Ca -0.12 0.84 -0.00 0.00 0.05 0.00 0.00 55.36 56.14 1waz s GLN 67 Cb 0.20 0.41 -0.00 0.00 1.10 0.00 0.00 33.01 34.72 1waz s GLN 67 CO 0.80 -0.14 -0.00 0.00 -0.55 0.00 0.00 175.29 175.40 1waz h ALA 68 N 4.59 0.00 0.00 1.58 0.00 -1.77 -3.28 119.26 120.39 1waz h ALA 68 Ca -0.28 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1waz h ALA 68 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1waz h ALA 68 CO 0.11 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 178.97