#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1waz s PRO 25 N 0.00 3.66 0.23 -0.78 0.04 -1.26 -4.90 135.00 131.98 1waz s PRO 25 Ca 0.00 0.54 -0.07 0.00 0.04 0.00 0.00 61.00 61.51 1waz s PRO 25 Cb 0.00 -3.94 0.20 0.00 0.04 0.00 0.00 34.50 30.79 1waz s PRO 25 CO 0.00 -1.47 1.84 0.28 0.04 0.00 0.00 177.00 177.69 1waz h VAL 26 N 6.25 1.26 -0.65 -0.36 2.07 -2.01 -2.65 116.25 120.17 1waz h VAL 26 Ca -0.24 -0.67 0.06 0.00 0.82 0.00 0.00 66.70 66.68 1waz h VAL 26 Cb 1.06 0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1waz h VAL 26 CO 1.14 0.30 0.35 0.25 0.02 0.00 0.00 177.57 179.62 1waz h LEU 27 N 1.23 0.50 -0.29 2.57 5.85 -1.98 0.32 115.31 123.50 1waz h LEU 27 Ca 0.31 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 1waz h LEU 27 Cb 0.06 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1waz h LEU 27 CO -0.05 0.32 0.13 0.58 -0.34 0.00 0.00 178.44 179.08 1waz h VAL 28 N 0.63 1.17 -0.52 1.05 2.07 -1.89 -0.89 116.25 117.86 1waz h VAL 28 Ca 0.30 -0.49 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 1waz h VAL 28 Cb 0.22 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1waz h VAL 28 CO -0.20 0.17 -0.09 0.40 0.02 0.00 0.00 177.57 177.87 1waz h ILE 29 N 0.33 1.26 -0.47 4.57 2.04 -1.14 -2.49 117.51 121.62 1waz h ILE 29 Ca 0.10 -1.22 -0.04 0.00 1.00 0.00 0.00 64.86 64.70 1waz h ILE 29 Cb 0.15 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1waz h ILE 29 CO -0.01 0.43 0.13 0.25 0.00 0.00 0.00 178.15 178.95 1waz h LEU 30 N 0.85 0.69 -0.43 1.44 5.85 -0.16 -1.05 115.31 122.50 1waz h LEU 30 Ca 0.14 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1waz h LEU 30 Cb 0.63 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1waz h LEU 30 CO 0.04 0.73 0.15 0.25 -0.34 0.00 0.00 178.44 179.27 1waz h LEU 31 N 0.62 0.62 -0.80 2.25 6.46 -1.08 -2.47 115.31 120.90 1waz h LEU 31 Ca 0.15 -0.19 -0.06 0.00 -0.12 0.00 0.00 57.88 57.65 1waz h LEU 31 Cb 0.29 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 1waz h LEU 31 CO -0.00 0.64 0.16 1.23 -0.62 0.00 0.00 178.44 179.85 1waz h GLY 32 N 0.56 1.14 0.86 3.75 0.00 -1.32 -2.71 103.07 105.35 1waz h GLY 32 Ca 0.14 -0.70 0.02 0.00 0.00 0.00 0.00 47.33 46.79 1waz h GLY 32 CO -0.01 0.65 0.20 -2.08 0.00 0.00 0.00 176.54 175.30 1waz h VAL 33 N 1.01 1.00 -0.85 4.60 2.07 -0.90 -2.07 116.25 121.12 1waz h VAL 33 Ca 0.21 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.60 1waz h VAL 33 Cb 0.35 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1waz h VAL 33 CO 0.00 0.07 0.55 0.58 0.02 0.00 0.00 177.57 178.80 1waz h VAL 34 N 0.40 1.22 -0.75 2.57 2.07 -1.26 -2.51 116.25 118.00 1waz h VAL 34 Ca 0.15 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1waz h VAL 34 Cb 0.04 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.76 1waz h VAL 34 CO -0.09 0.21 0.45 1.23 0.02 0.00 0.00 177.57 179.39 1waz h GLY 35 N 1.15 1.10 1.01 2.17 0.00 -1.11 -2.49 103.07 104.90 1waz h GLY 35 Ca 0.31 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 47.18 1waz h GLY 35 CO -0.07 0.45 0.57 -2.00 0.00 0.00 0.00 176.54 175.50 1waz h LEU 36 N 1.03 1.02 -0.14 3.11 5.85 -0.96 -2.68 115.31 122.54 1waz h LEU 36 Ca 0.27 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.96 1waz h LEU 36 Cb -0.02 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 1waz h LEU 36 CO -0.05 0.75 0.07 0.77 -0.34 0.00 0.00 178.44 179.64 1waz h SER 37 N 1.20 0.11 -0.71 1.25 4.64 -1.15 -1.90 113.55 116.99 1waz h SER 37 Ca 0.32 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.76 1waz h SER 37 Cb -0.12 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 61.91 1waz h SER 37 CO -0.07 0.09 0.47 0.00 -0.87 0.00 0.00 176.83 176.45 1waz h ALA 38 N 1.07 1.95 -2.85 5.18 0.00 -1.25 -3.35 119.26 120.00 1waz h ALA 38 Ca 0.06 -0.01 -0.71 0.00 0.00 0.00 0.00 54.91 54.25 1waz h ALA 38 Cb 0.01 -0.11 -0.28 0.00 0.00 0.00 0.00 17.79 17.41 1waz h ALA 38 CO -0.04 -0.11 -0.49 -1.17 0.00 0.00 0.00 179.25 177.44 1waz s LEU 39 N -9.49 5.01 -0.21 0.00 2.96 -0.71 -4.90 118.68 111.34 1waz s LEU 39 Ca -0.08 -1.44 0.21 0.00 -0.22 0.00 0.00 54.13 52.59 1waz s LEU 39 Cb 0.20 -1.97 0.46 0.00 0.50 0.00 0.00 46.19 45.38 1waz s LEU 39 CO 0.76 -0.50 1.19 0.41 -1.32 0.00 0.00 176.35 176.89 1waz n THR 40 N 4.89 0.78 -4.00 3.68 -1.04 -1.26 -4.77 114.28 112.57 1waz n THR 40 Ca -0.10 -2.14 -0.12 0.00 -2.04 0.00 0.00 64.05 59.65 1waz n THR 40 Cb 0.43 1.17 -0.13 0.00 -1.82 0.00 0.00 70.33 69.98 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 -2.93 0.23 1.12 3.41 0.00 -1.26 -5.15 107.32 102.74 1waz s GLY 41 Ca 0.24 -0.38 -0.15 0.00 0.00 0.00 0.00 44.72 44.43 1waz s GLY 41 CO -0.08 -0.41 1.08 -0.19 0.00 0.00 0.00 173.10 173.51 1waz s TYR 42 N -0.76 1.30 -0.30 1.90 1.51 -1.26 -5.07 117.35 114.68 1waz s TYR 42 Ca -0.07 0.81 -0.16 0.00 -1.01 0.00 0.00 57.07 56.64 1waz s TYR 42 Cb -0.06 -3.28 0.19 0.00 -0.11 0.00 0.00 41.96 38.70 1waz s TYR 42 CO -0.00 -3.51 1.17 -1.17 -1.11 0.00 0.00 175.55 170.92 1waz s LEU 43 N -6.82 -0.22 0.00 -1.29 2.96 -1.26 -5.17 118.68 106.88 1waz s LEU 43 Ca 0.68 0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 54.81 1waz s LEU 43 Cb -0.16 1.31 0.17 0.00 0.50 0.00 0.00 46.19 48.01 1waz s LEU 43 CO 0.58 -0.05 0.62 0.47 -1.32 0.00 0.00 176.35 176.65 1waz n ASP 44 N 3.49 -1.62 -4.50 3.68 8.00 -1.26 -5.03 116.55 119.31 1waz n ASP 44 Ca -0.16 -0.88 -0.34 0.00 0.71 0.00 0.00 54.79 54.12 1waz n ASP 44 Cb 0.56 -0.57 -0.12 0.00 -0.02 0.00 0.00 41.12 40.97 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 -2.13 3.02 0.00 1.24 1.13 -1.26 -5.07 117.35 114.29 1waz s TYR 45 Ca 0.40 -0.28 0.00 0.00 -1.41 0.00 0.00 57.07 55.78 1waz s TYR 45 Cb -0.04 -1.94 0.00 0.00 -1.10 0.00 0.00 41.96 38.88 1waz s TYR 45 CO 0.31 -0.01 0.00 1.33 -2.51 0.00 0.00 175.55 174.67 1waz n VAL 46 N 3.44 0.00 -0.16 -3.49 0.24 -1.26 -4.94 118.33 112.15 1waz n VAL 46 Ca -0.17 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1waz n VAL 46 Cb 0.53 0.00 0.25 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 0.79 -7.16 1.34 7.12 -2.08 -3.39 115.31 111.93 1waz h LEU 47 Ca 0.00 -0.06 -0.45 0.00 0.13 0.00 0.00 57.88 57.50 1waz h LEU 47 Cb 0.00 -0.20 -0.40 0.00 -0.53 0.00 0.00 40.66 39.53 1waz h LEU 47 CO 0.00 0.64 -0.75 -0.76 -0.13 0.00 0.00 178.44 177.43 1waz s LEU 48 N -9.64 0.47 -0.88 2.25 1.43 -1.26 -5.03 118.68 106.02 1waz s LEU 48 Ca -0.10 -0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 52.39 1waz s LEU 48 Cb 0.17 -0.30 -0.08 0.00 0.03 0.00 0.00 46.19 46.01 1waz s LEU 48 CO 0.78 -0.32 2.05 -0.81 0.23 0.00 0.00 176.35 178.29 1waz n PRO 49 N 5.23 1.93 0.20 1.29 -0.04 -1.26 -4.60 135.00 137.76 1waz n PRO 49 Ca -0.07 -1.57 0.07 0.00 -0.04 0.00 0.00 63.50 61.89 1waz n PRO 49 Cb 0.49 -2.59 0.57 0.00 -0.04 0.00 0.00 33.50 31.94 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 6.74 1.89 -0.04 0.55 0.00 -1.97 -2.67 119.26 123.75 1waz h ALA 50 Ca 0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 1waz h ALA 50 Cb 0.30 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1waz h ALA 50 CO 1.59 0.09 -0.01 -0.07 0.00 0.00 0.00 179.25 180.85 1waz h LEU 51 N 0.10 0.07 -0.68 0.00 3.38 -2.00 -0.43 115.31 115.76 1waz h LEU 51 Ca 0.03 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.71 1waz h LEU 51 Cb 0.05 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1waz h LEU 51 CO -0.00 0.41 0.37 0.00 0.09 0.00 0.00 178.44 179.31 1waz h ALA 52 N 0.66 0.91 -0.37 1.53 0.00 -1.87 -1.67 119.26 118.45 1waz h ALA 52 Ca 0.01 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1waz h ALA 52 Cb 0.38 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1waz h ALA 52 CO 0.00 0.04 0.03 0.82 0.00 0.00 0.00 179.25 180.14 1waz h ILE 53 N 0.68 1.25 -0.62 0.00 1.08 -1.41 -2.33 117.51 116.15 1waz h ILE 53 Ca 0.31 -0.93 0.09 0.00 -0.39 0.00 0.00 64.86 63.94 1waz h ILE 53 Cb 0.21 1.12 -0.07 0.00 -3.07 0.00 0.00 36.82 35.02 1waz h ILE 53 CO -0.20 0.31 0.26 0.15 -0.69 0.00 0.00 178.15 177.99 1waz h PHE 54 N 0.47 0.47 -0.46 1.37 3.57 -0.43 -1.28 116.94 120.64 1waz h PHE 54 Ca 0.11 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1waz h PHE 54 Cb 0.42 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1waz h PHE 54 CO 0.03 0.15 0.15 0.82 -2.23 0.00 0.00 178.31 177.23 1waz h ILE 55 N 0.47 1.22 -0.15 1.41 1.08 -1.21 0.14 117.51 120.47 1waz h ILE 55 Ca 0.31 -0.73 0.04 0.00 -0.39 0.00 0.00 64.86 64.09 1waz h ILE 55 Cb 0.35 0.83 -0.04 0.00 -3.07 0.00 0.00 36.82 34.88 1waz h ILE 55 CO -0.28 0.26 -0.10 1.23 -0.69 0.00 0.00 178.15 178.57 1waz h GLY 56 N 0.61 0.02 1.19 5.37 0.00 -0.77 0.56 103.07 110.04 1waz h GLY 56 Ca 0.15 0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.56 1waz h GLY 56 CO -0.01 -0.12 0.25 1.41 0.00 0.00 0.00 176.54 178.08 1waz h LEU 57 N -0.11 0.95 -0.01 3.11 -0.00 -1.15 0.18 115.31 118.29 1waz h LEU 57 Ca 0.09 -0.15 -0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1waz h LEU 57 Cb 0.24 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 40.65 1waz h LEU 57 CO -0.22 0.87 0.00 0.74 -0.00 0.00 0.00 178.44 179.83 1waz h THR 58 N 1.01 1.20 -0.34 0.22 2.02 0.09 -0.18 112.91 116.92 1waz h THR 58 Ca 0.23 -0.59 -0.07 0.00 0.77 0.00 0.00 66.41 66.75 1waz h THR 58 Cb 0.23 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1waz h THR 58 CO -0.02 0.16 -0.07 0.40 0.37 0.00 0.00 175.52 176.36 1waz h ILE 59 N -0.22 1.28 -0.10 3.11 2.04 0.18 -1.72 117.51 122.06 1waz h ILE 59 Ca 0.00 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.74 1waz h ILE 59 Cb 0.25 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1waz h ILE 59 CO 0.00 0.37 0.06 1.88 0.00 0.00 0.00 178.15 180.46 1waz h TYR 60 N 0.45 0.13 -0.94 1.37 -1.99 -0.61 -1.21 116.97 114.16 1waz h TYR 60 Ca 0.09 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.84 1waz h TYR 60 Cb 0.57 -0.04 -0.05 0.00 2.00 0.00 0.00 36.73 39.21 1waz h TYR 60 CO 0.05 0.10 0.62 0.00 -0.00 0.00 0.00 178.16 178.93 1waz h ALA 61 N 1.02 1.21 -0.35 3.88 0.00 -1.01 -1.85 119.26 122.15 1waz h ALA 61 Ca 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1waz h ALA 61 Cb 0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1waz h ALA 61 CO -0.01 0.55 0.10 0.82 0.00 0.00 0.00 179.25 180.71 1waz h ILE 62 N 1.24 1.21 -0.68 0.00 1.08 -0.91 -0.46 117.51 119.00 1waz h ILE 62 Ca 0.36 -0.71 -0.03 0.00 -0.39 0.00 0.00 64.86 64.10 1waz h ILE 62 Cb -0.09 1.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 1waz h ILE 62 CO -0.09 0.24 0.32 -0.61 -0.69 0.00 0.00 178.15 177.32 1waz h GLN 63 N 0.41 0.98 0.08 2.37 4.15 -0.96 0.13 115.11 122.27 1waz h GLN 63 Ca 0.11 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 1waz h GLN 63 Cb 0.27 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1waz h GLN 63 CO -0.00 0.78 -0.04 0.00 -1.93 0.00 0.00 178.83 177.64 1waz h ARG 64 N 0.94 -0.11 -0.08 1.69 3.08 -1.19 0.40 114.38 119.11 1waz h ARG 64 Ca 0.23 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.31 1waz h ARG 64 Cb 0.12 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1waz h ARG 64 CO -0.03 0.21 -0.02 0.87 -1.07 0.00 0.00 179.97 179.93 1waz h LYS 65 N -0.44 0.00 -1.00 0.04 1.79 -0.99 -2.14 116.57 113.85 1waz h LYS 65 Ca -0.01 -0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.52 1waz h LYS 65 Cb 0.37 -0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.96 1waz h LYS 65 CO 0.02 0.00 0.65 0.00 -1.08 0.00 0.00 179.45 179.04 1waz h ARG 66 N 0.00 1.15 -2.80 3.15 3.08 -0.73 -3.45 114.38 114.78 1waz h ARG 66 Ca 0.04 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1waz h ARG 66 Cb 0.06 -0.26 -0.14 0.00 0.08 0.00 0.00 29.97 29.71 1waz h ARG 66 CO -0.08 0.76 0.14 1.14 -1.07 0.00 0.00 179.97 180.86 1waz s GLN 67 N -6.03 1.17 -0.14 0.04 -2.07 0.12 -4.59 119.66 108.16 1waz s GLN 67 Ca -0.12 -0.31 -0.04 0.00 -1.82 0.00 0.00 55.36 53.07 1waz s GLN 67 Cb 0.20 0.54 -0.03 0.00 -1.09 0.00 0.00 33.01 32.63 1waz s GLN 67 CO 0.81 -0.46 -0.02 0.00 -1.32 0.00 0.00 175.29 174.30 1waz s ALA 68 N -3.01 3.12 0.00 2.60 0.00 -1.24 -3.52 121.76 119.71 1waz s ALA 68 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1waz s ALA 68 Cb -0.00 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1waz s ALA 68 CO -0.06 0.30 0.05 -3.47 0.00 0.00 0.00 175.76 172.57