#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g36 s ASP 47 N 0.00 6.59 0.48 4.52 2.15 -1.26 -4.83 116.67 124.31 3g36 s ASP 47 Ca 0.00 -1.76 0.17 0.00 0.43 0.00 0.00 52.55 51.39 3g36 s ASP 47 Cb 0.00 -2.52 1.17 0.00 -0.30 0.00 0.00 42.92 41.27 3g36 s ASP 47 CO 0.00 -1.33 2.05 -0.07 -0.17 0.00 0.00 175.17 175.66 3g36 h LEU 48 N 11.99 0.00 -2.22 -1.34 3.38 -2.02 -2.54 115.31 122.56 3g36 h LEU 48 Ca 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3g36 h LEU 48 Cb 1.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 3g36 h LEU 48 CO 1.33 0.12 -0.06 1.56 0.09 0.00 0.00 178.44 181.49 3g36 h GLN 49 N 0.00 0.00 -0.00 1.13 4.20 -2.03 -0.90 115.11 117.50 3g36 h GLN 49 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3g36 h GLN 49 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3g36 h GLN 49 CO 0.02 0.06 -0.06 -1.13 -0.67 0.00 0.00 178.83 177.04 3g36 n SER 50 N -3.68 0.29 -4.60 1.46 3.41 -0.96 -4.83 113.62 104.72 3g36 n SER 50 Ca -0.02 -0.51 -0.39 0.00 -0.26 0.00 0.00 58.87 57.69 3g36 n SER 50 Cb 0.16 -0.13 -0.10 0.00 -0.26 0.00 0.00 64.21 63.88 3g36 n SER 50 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3g36 s LEU 51 N -2.44 4.03 0.98 1.04 1.43 -0.35 -5.08 118.68 118.30 3g36 s LEU 51 Ca 0.31 0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.43 3g36 s LEU 51 Cb 0.20 -2.28 0.18 0.00 0.03 0.00 0.00 46.19 44.32 3g36 s LEU 51 CO 0.46 -0.12 1.08 -2.84 0.23 0.00 0.00 176.35 175.16 3g36 s PRO 52 N 1.92 0.60 0.10 1.29 0.02 -1.26 -4.33 135.00 133.33 3g36 s PRO 52 Ca 0.11 0.79 -0.16 0.00 0.02 0.00 0.00 61.00 61.76 3g36 s PRO 52 Cb -0.16 -1.73 -0.01 0.00 0.02 0.00 0.00 34.50 32.62 3g36 s PRO 52 CO 0.10 -2.69 0.86 2.41 -0.33 0.00 0.00 177.00 177.36 3g36 n THR 53 N -4.19 -0.36 -0.05 0.99 -1.04 -1.26 -0.49 114.28 107.88 3g36 n THR 53 Ca 0.06 1.34 -0.12 0.00 -2.04 0.00 0.00 64.05 63.29 3g36 n THR 53 Cb 0.55 -1.68 -0.06 0.00 -1.82 0.00 0.00 70.33 67.32 3g36 n THR 53 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3g36 h ARG 54 N 0.00 0.26 -0.83 -2.82 3.08 -1.99 -0.37 114.38 111.70 3g36 h ARG 54 Ca 0.11 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.08 3g36 h ARG 54 Cb 0.25 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 3g36 h ARG 54 CO -0.53 0.51 0.55 0.00 -1.07 0.00 0.00 179.97 179.43 3g36 h ALA 55 N 0.74 1.07 -0.19 0.04 0.00 -1.56 -0.71 119.26 118.65 3g36 h ALA 55 Ca 0.04 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3g36 h ALA 55 Cb 0.40 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3g36 h ALA 55 CO 0.01 0.43 0.09 -0.92 0.00 0.00 0.00 179.25 178.87 3g36 h TYR 56 N 1.10 0.17 -0.53 0.00 3.20 -0.57 -0.77 116.97 119.57 3g36 h TYR 56 Ca 0.31 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.13 3g36 h TYR 56 Cb -0.09 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 3g36 h TYR 56 CO -0.02 0.10 0.08 -0.07 -1.64 0.00 0.00 178.16 176.61 3g36 h LEU 57 N 0.20 0.85 -1.49 2.82 3.38 -0.82 -1.74 115.31 118.51 3g36 h LEU 57 Ca 0.08 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3g36 h LEU 57 Cb 0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3g36 h LEU 57 CO -0.05 0.90 0.31 0.44 0.09 0.00 0.00 178.44 180.13 3g36 h ASP 58 N 0.77 0.57 0.52 -0.43 3.32 -0.85 -0.98 116.42 119.34 3g36 h ASP 58 Ca 0.16 -0.02 -0.29 0.00 0.02 0.00 0.00 57.03 56.90 3g36 h ASP 58 Cb 0.42 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3g36 h ASP 58 CO 0.01 0.42 -1.46 -0.61 -1.72 0.00 0.00 179.24 175.88 3g36 h GLN 59 N 0.66 0.21 0.02 3.56 5.75 -0.90 -3.37 115.11 121.05 3g36 h GLN 59 Ca 0.18 -0.36 -0.34 0.00 -0.15 0.00 0.00 58.65 57.98 3g36 h GLN 59 Cb -0.05 0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.59 3g36 h GLN 59 CO -0.04 1.07 -1.88 0.25 -2.65 0.00 0.00 178.83 175.59 3g36 n THR 60 N -3.42 1.58 0.00 2.39 -2.24 -0.68 -4.81 114.28 107.09 3g36 n THR 60 Ca -0.14 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3g36 n THR 60 Cb 1.03 -1.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 3g36 n THR 60 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3g36 n VAL 61 N -4.09 0.00 -0.23 2.28 0.24 -0.44 -4.80 118.33 111.29 3g36 n VAL 61 Ca -0.40 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 61.84 3g36 n VAL 61 Cb 0.84 -0.10 0.04 0.00 -1.47 0.00 0.00 33.84 33.15 3g36 n VAL 61 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3g36 h VAL 62 N 0.00 1.20 -0.24 3.34 2.07 -1.52 -1.03 116.25 120.06 3g36 h VAL 62 Ca 0.00 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.04 3g36 h VAL 62 Cb 0.38 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3g36 h VAL 62 CO 0.00 0.21 0.15 -0.65 0.02 0.00 0.00 177.57 177.30 3g36 h PRO 63 N 0.87 0.30 -0.06 1.57 0.11 -1.86 0.35 132.00 133.27 3g36 h PRO 63 Ca 0.22 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.20 3g36 h PRO 63 Cb 0.03 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 3g36 h PRO 63 CO -0.04 0.20 -0.49 0.97 -0.21 0.00 0.00 178.00 178.43 3g36 h ILE 64 N 0.31 1.35 -0.68 4.15 2.10 -1.85 -2.55 117.51 120.34 3g36 h ILE 64 Ca 0.09 -1.72 -0.04 0.00 1.08 0.00 0.00 64.86 64.28 3g36 h ILE 64 Cb -0.02 1.85 -0.03 0.00 -1.09 0.00 0.00 36.82 37.53 3g36 h ILE 64 CO -0.03 0.50 0.28 -0.07 -1.08 0.00 0.00 178.15 177.76 3g36 h LEU 65 N 0.13 0.93 -0.59 2.19 3.38 -0.63 0.34 115.31 121.06 3g36 h LEU 65 Ca 0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3g36 h LEU 65 Cb 0.92 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3g36 h LEU 65 CO 0.07 0.83 0.29 -0.07 0.09 0.00 0.00 178.44 179.66 3g36 h LEU 66 N 0.96 0.77 -0.19 1.67 3.38 -0.65 -3.04 115.31 118.21 3g36 h LEU 66 Ca 0.23 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3g36 h LEU 66 Cb 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3g36 h LEU 66 CO -0.02 0.68 0.02 -0.61 0.09 0.00 0.00 178.44 178.60 3g36 h GLN 67 N 0.81 0.32 -1.56 1.13 4.15 -1.28 -1.90 115.11 116.78 3g36 h GLN 67 Ca 0.20 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.53 3g36 h GLN 67 Cb 0.11 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.76 3g36 h GLN 67 CO -0.03 0.50 0.00 0.41 -1.93 0.00 0.00 178.83 177.78 3g36 n GLY 68 N -0.39 0.66 0.86 2.39 0.00 0.09 -2.17 105.19 106.63 3g36 n GLY 68 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3g36 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g36 n ALA 70 N 0.79 0.00 -0.07 4.61 0.00 -0.72 -0.60 120.51 124.53 3g36 n ALA 70 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3g36 n ALA 70 Cb 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.57 3g36 n ALA 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g36 h VAL 71 N 0.00 1.18 -0.65 0.00 2.07 -1.71 -2.39 116.25 114.74 3g36 h VAL 71 Ca 0.00 -0.56 0.08 0.00 0.82 0.00 0.00 66.70 67.05 3g36 h VAL 71 Cb 0.00 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 3g36 h VAL 71 CO 0.00 0.18 0.31 0.25 0.02 0.00 0.00 177.57 178.33 3g36 h LEU 72 N 0.21 0.41 -1.59 2.57 5.85 -1.13 0.44 115.31 122.06 3g36 h LEU 72 Ca 0.07 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3g36 h LEU 72 Cb 0.20 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 3g36 h LEU 72 CO -0.00 0.25 -0.07 0.00 -0.34 0.00 0.00 178.44 178.27 3g36 h ALA 73 N 1.39 1.05 0.17 1.25 0.00 -1.77 0.24 119.26 121.59 3g36 h ALA 73 Ca 0.32 -0.07 -0.33 0.00 0.00 0.00 0.00 54.91 54.83 3g36 h ALA 73 Cb 0.31 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.10 3g36 h ALA 73 CO -0.25 0.09 -1.63 0.87 0.00 0.00 0.00 179.25 178.33 3g36 h LYS 74 N 0.00 0.36 0.18 0.00 1.57 -0.72 -3.38 116.57 114.58 3g36 h LYS 74 Ca -0.00 -0.62 -0.32 0.00 -1.87 0.00 0.00 60.65 57.84 3g36 h LYS 74 Cb 0.49 0.23 0.01 0.00 0.08 0.00 0.00 32.23 33.05 3g36 h LYS 74 CO 0.01 1.26 -1.49 0.93 -0.57 0.00 0.00 179.45 179.58 3g36 h GLU 75 N 0.10 0.39 -6.85 3.15 4.39 -0.71 -3.49 114.58 111.56 3g36 h GLU 75 Ca -0.29 -0.66 -0.58 0.00 0.34 0.00 0.00 59.36 58.17 3g36 h GLU 75 Cb 2.08 0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 30.97 3g36 h GLU 75 CO 0.19 1.29 -1.00 0.54 -1.16 0.00 0.00 179.01 178.86 3g36 n ARG 76 N -3.59 -0.39 -1.74 2.33 1.74 0.82 -4.93 116.66 110.91 3g36 n ARG 76 Ca -0.16 0.12 -0.30 0.00 -0.77 0.00 0.00 57.85 56.74 3g36 n ARG 76 Cb 1.07 -2.75 0.08 0.00 -1.02 0.00 0.00 32.46 29.83 3g36 n ARG 76 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3g36 s PRO 77 N -7.25 2.24 0.53 5.56 0.04 -1.26 -4.96 135.00 129.89 3g36 s PRO 77 Ca 0.49 0.43 0.24 0.00 0.04 0.00 0.00 61.00 62.19 3g36 s PRO 77 Cb -0.25 -1.95 1.45 0.00 0.04 0.00 0.00 34.50 33.78 3g36 s PRO 77 CO 0.96 -1.47 2.13 -1.35 0.04 0.00 0.00 177.00 177.31 3g36 h PRO 78 N -0.97 0.00 -3.00 0.56 0.11 -2.02 -3.33 132.00 123.35 3g36 h PRO 78 Ca -0.46 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.03 3g36 h PRO 78 Cb 1.28 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.99 3g36 h PRO 78 CO 0.63 0.08 -0.71 1.21 -0.21 0.00 0.00 178.00 178.99 3g36 s ASN 79 N -6.47 3.75 0.24 -2.05 3.84 -1.26 -4.99 114.94 107.99 3g36 s ASN 79 Ca -0.04 -3.03 -0.06 0.00 0.21 0.00 0.00 52.86 49.95 3g36 s ASN 79 Cb 0.15 -1.20 0.24 0.00 -0.55 0.00 0.00 41.25 39.89 3g36 s ASN 79 CO 0.61 -0.21 1.79 -0.65 -2.79 0.00 0.00 177.10 175.85 3g36 h PRO 80 N 6.25 1.08 -0.17 0.43 0.11 -1.98 -0.21 132.00 137.50 3g36 h PRO 80 Ca 0.05 -0.21 -0.03 0.00 0.11 0.00 0.00 66.00 65.92 3g36 h PRO 80 Cb 0.88 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 3g36 h PRO 80 CO 0.56 0.90 -0.01 0.82 -0.21 0.00 0.00 178.00 180.06 3g36 h ILE 81 N 1.04 1.26 -0.91 4.15 2.04 -1.95 -0.96 117.51 122.19 3g36 h ILE 81 Ca 0.23 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 3g36 h ILE 81 Cb 0.25 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 3g36 h ILE 81 CO -0.01 0.27 0.53 -0.33 0.00 0.00 0.00 178.15 178.61 3g36 h GLU 82 N 0.04 1.24 -0.25 2.37 4.39 -1.95 -1.20 114.58 119.21 3g36 h GLU 82 Ca 0.05 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3g36 h GLU 82 Cb 0.41 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3g36 h GLU 82 CO 0.01 0.87 0.16 0.35 -1.16 0.00 0.00 179.01 179.25 3g36 h PHE 83 N 1.25 0.32 -0.48 4.33 3.57 -0.88 -0.96 116.94 124.08 3g36 h PHE 83 Ca 0.32 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.74 3g36 h PHE 83 Cb -0.03 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 3g36 h PHE 83 CO 0.00 0.21 -0.06 1.25 -2.23 0.00 0.00 178.31 177.49 3g36 h LEU 84 N 0.33 0.89 -0.52 0.59 5.85 -0.85 0.19 115.31 121.78 3g36 h LEU 84 Ca 0.09 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 3g36 h LEU 84 Cb -0.03 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 3g36 h LEU 84 CO -0.02 1.01 0.32 0.00 -0.34 0.00 0.00 178.44 179.42 3g36 h ALA 85 N 0.91 0.67 -0.56 1.25 0.00 -1.07 -1.09 119.26 119.37 3g36 h ALA 85 Ca 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3g36 h ALA 85 Cb 0.59 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3g36 h ALA 85 CO 0.04 0.14 0.26 1.03 0.00 0.00 0.00 179.25 180.71 3g36 h SER 86 N 0.70 0.74 -0.65 0.00 0.87 -0.95 -2.55 113.55 111.72 3g36 h SER 86 Ca 0.19 -0.14 0.09 0.00 -1.23 0.00 0.00 61.79 60.70 3g36 h SER 86 Cb -0.03 -0.19 -0.07 0.00 -0.44 0.00 0.00 62.40 61.67 3g36 h SER 86 CO -0.04 0.67 0.29 0.22 -0.53 0.00 0.00 176.83 177.44 3g36 h TYR 87 N 0.76 0.51 -0.41 2.24 3.20 -0.48 -0.55 116.97 122.24 3g36 h TYR 87 Ca 0.19 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.09 3g36 h TYR 87 Cb 0.14 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 3g36 h TYR 87 CO -0.00 0.17 0.27 -0.07 -1.64 0.00 0.00 178.16 176.89 3g36 h LEU 88 N 0.50 0.47 -0.65 2.82 3.38 -0.82 -1.11 115.31 119.90 3g36 h LEU 88 Ca 0.32 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.22 3g36 h LEU 88 Cb 0.35 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3g36 h LEU 88 CO -0.28 0.34 0.19 -0.07 0.09 0.00 0.00 178.44 178.72 3g36 h LEU 89 N 0.55 0.96 -1.09 1.67 3.38 -1.09 -0.87 115.31 118.83 3g36 h LEU 89 Ca 0.15 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3g36 h LEU 89 Cb -0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3g36 h LEU 89 CO -0.03 0.92 -0.30 0.11 0.09 0.00 0.00 178.44 179.24 3g36 h LYS 90 N 0.95 0.00 -0.00 1.13 1.57 -0.76 -3.30 116.57 116.16 3g36 h LYS 90 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3g36 h LYS 90 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3g36 h LYS 90 CO -0.00 0.30 -0.01 0.09 -0.57 0.00 0.00 179.45 179.25 3g36 n ASN 91 N -3.51 1.21 0.29 0.86 3.02 -0.45 -4.67 115.26 112.01 3g36 n ASN 91 Ca -0.00 -1.10 0.15 0.00 -0.03 0.00 0.00 54.58 53.60 3g36 n ASN 91 Cb 0.45 0.08 0.86 0.00 -0.61 0.00 0.00 39.78 40.57 3g36 n ASN 91 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3g36 h LYS 92 N 0.65 0.00 -0.26 3.52 2.10 -1.23 -2.22 116.57 119.13 3g36 h LYS 92 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 3g36 h LYS 92 Cb 0.14 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.46 3g36 h LYS 92 CO 0.00 0.06 0.05 0.00 -2.00 0.00 0.00 179.45 177.56 3g36 h ALA 93 N 1.94 1.62 0.00 0.07 0.00 -1.83 -1.51 119.26 119.55 3g36 h ALA 93 Ca -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3g36 h ALA 93 Cb 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3g36 h ALA 93 CO 0.01 0.29 -0.01 1.96 0.00 0.00 0.00 179.25 181.50 3g36 h GLN 94 N 0.36 0.00 -0.52 0.00 4.20 -1.76 -2.05 115.11 115.34 3g36 h GLN 94 Ca 0.09 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.53 3g36 h GLN 94 Cb 0.16 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 27.78 3g36 h GLN 94 CO -0.00 0.01 0.11 1.19 -0.67 0.00 0.00 178.83 179.47 3g36 n PHE 95 N -3.36 1.62 -0.51 2.96 3.01 -0.57 -5.17 117.46 115.43 3g36 n PHE 95 Ca -0.03 -1.66 0.00 0.00 1.01 0.00 0.00 57.45 56.77 3g36 n PHE 95 Cb 0.11 -0.61 0.00 0.00 -0.01 0.00 0.00 39.48 38.96 3g36 n PHE 95 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86