#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bsu n MET 27 N 0.00 0.56 -3.90 1.57 2.81 -1.26 -5.10 117.12 111.80 3bsu n MET 27 Ca 0.00 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.53 3bsu n MET 27 Cb 0.00 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.39 3bsu n MET 27 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3bsu s PHE 28 N 0.01 3.07 -0.38 2.03 0.08 -0.37 -4.70 117.98 117.73 3bsu s PHE 28 Ca 0.00 -0.44 -0.17 0.00 0.12 0.00 0.00 56.93 56.44 3bsu s PHE 28 Cb 0.00 -2.16 0.00 0.00 -0.57 0.00 0.00 43.02 40.29 3bsu s PHE 28 CO 0.00 -0.30 0.42 0.71 -0.10 0.00 0.00 175.22 175.96 3bsu s TYR 29 N 1.30 3.19 -0.24 0.36 1.51 0.36 -0.09 117.35 123.73 3bsu s TYR 29 Ca 0.04 -0.12 -0.17 0.00 -1.01 0.00 0.00 57.07 55.81 3bsu s TYR 29 Cb -0.15 -2.81 -0.03 0.00 -0.11 0.00 0.00 41.96 38.86 3bsu s TYR 29 CO 0.02 -0.56 0.47 0.00 -1.11 0.00 0.00 175.55 174.37 3bsu s ALA 30 N 2.15 3.57 -0.40 3.71 0.00 -0.04 -0.74 121.76 130.01 3bsu s ALA 30 Ca 0.13 -0.60 -0.06 0.00 0.00 0.00 0.00 51.96 51.44 3bsu s ALA 30 Cb -0.16 -2.81 0.09 0.00 0.00 0.00 0.00 23.12 20.24 3bsu s ALA 30 CO 0.13 -0.61 0.21 0.08 0.00 0.00 0.00 175.76 175.57 3bsu s VAL 31 N 2.01 3.70 -0.01 0.00 1.01 -0.77 -1.24 120.40 125.09 3bsu s VAL 31 Ca 0.20 -1.68 -0.17 0.00 0.00 0.00 0.00 61.98 60.33 3bsu s VAL 31 Cb -0.15 -3.36 -0.34 0.00 0.00 0.00 0.00 36.38 32.53 3bsu s VAL 31 CO 0.09 -0.55 0.90 -0.09 0.00 0.00 0.00 175.10 175.46 3bsu h ARG 32 N 8.22 0.44 -4.53 2.72 2.43 -0.19 -3.14 114.38 120.33 3bsu h ARG 32 Ca -0.19 -0.75 -0.55 0.00 -0.81 0.00 0.00 59.98 57.69 3bsu h ARG 32 Cb 1.07 0.28 -0.35 0.00 -0.42 0.00 0.00 29.97 30.55 3bsu h ARG 32 CO 0.71 1.36 -0.82 1.03 -1.51 0.00 0.00 179.97 180.75 3bsu s ARG 33 N -2.54 1.85 0.00 0.20 0.52 -0.86 -4.90 118.95 113.22 3bsu s ARG 33 Ca -0.12 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 54.67 3bsu s ARG 33 Cb 0.03 -1.65 0.00 0.00 0.52 0.00 0.00 34.95 33.86 3bsu s ARG 33 CO 0.89 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 176.52 3bsu n GLY 34 N 4.30 -1.31 0.36 -3.53 0.00 -1.26 -1.80 105.19 101.96 3bsu n GLY 34 Ca -0.18 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 3bsu n GLY 34 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3bsu h ARG 35 N 0.00 -0.68 -5.67 1.61 3.08 -1.56 -3.39 114.38 107.77 3bsu h ARG 35 Ca 0.00 0.05 -0.68 0.00 0.07 0.00 0.00 59.98 59.41 3bsu h ARG 35 Cb 0.00 0.15 -0.32 0.00 0.08 0.00 0.00 29.97 29.88 3bsu h ARG 35 CO 0.00 -0.45 -0.88 0.15 -1.07 0.00 0.00 179.97 177.72 3bsu s LYS 36 N -5.04 2.82 0.39 0.04 1.02 -1.26 -5.12 119.74 112.58 3bsu s LYS 36 Ca -0.13 -0.89 0.04 0.00 0.02 0.00 0.00 55.97 55.02 3bsu s LYS 36 Cb 0.03 -2.24 -0.01 0.00 -0.52 0.00 0.00 37.83 35.09 3bsu s LYS 36 CO 0.43 0.28 0.56 0.95 -0.92 0.00 0.00 175.35 176.65 3bsu s THR 37 N 0.09 4.03 -4.78 2.17 -4.23 -1.26 -4.89 115.64 106.77 3bsu s THR 37 Ca -0.11 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 3bsu s THR 37 Cb -0.16 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.25 3bsu s THR 37 CO 0.06 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.53 3bsu n GLY 38 N -1.83 0.96 3.34 3.99 0.00 -1.19 -5.02 105.19 105.45 3bsu n GLY 38 Ca 0.01 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 3bsu n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bsu s VAL 39 N -2.47 3.05 0.25 1.61 1.01 -1.26 -1.85 120.40 120.74 3bsu s VAL 39 Ca 0.00 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.43 3bsu s VAL 39 Cb 0.00 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3bsu s VAL 39 CO 0.00 0.51 -0.02 -0.36 0.00 0.00 0.00 175.10 175.23 3bsu s PHE 40 N 0.63 2.68 -1.37 5.22 0.08 0.09 -4.94 117.98 120.37 3bsu s PHE 40 Ca -0.07 -0.22 0.19 0.00 0.12 0.00 0.00 56.93 56.95 3bsu s PHE 40 Cb -0.15 -1.21 -0.10 0.00 -0.57 0.00 0.00 43.02 40.99 3bsu s PHE 40 CO 0.03 0.61 0.89 1.28 -0.10 0.00 0.00 175.22 177.93 3bsu n LEU 41 N -0.74 1.40 -4.10 -0.37 4.77 -1.26 -0.49 117.00 116.21 3bsu n LEU 41 Ca -0.07 -0.64 -0.15 0.00 -0.03 0.00 0.00 56.01 55.12 3bsu n LEU 41 Cb 0.58 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.56 3bsu n LEU 41 CO 0.40 0.29 -0.43 0.42 -1.33 0.00 0.00 177.39 176.74 3bsu s THR 42 N -2.46 0.78 0.32 -5.08 -4.23 -1.26 -4.77 115.64 98.93 3bsu s THR 42 Ca 0.12 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 3bsu s THR 42 Cb 0.15 -0.79 0.23 0.00 1.34 0.00 0.00 72.50 73.42 3bsu s THR 42 CO 0.62 -0.30 1.94 -0.25 -0.54 0.00 0.00 174.62 176.09 3bsu h TRP 43 N 4.46 0.86 -0.38 3.99 -0.00 -1.95 -2.18 115.95 120.76 3bsu h TRP 43 Ca -0.38 -0.01 0.07 0.00 -0.00 0.00 0.00 58.89 58.57 3bsu h TRP 43 Cb 1.20 -0.28 -0.06 0.00 -0.00 0.00 0.00 29.16 30.02 3bsu h TRP 43 CO 0.63 0.60 -0.03 -0.91 -0.00 0.00 0.00 178.44 178.73 3bsu h ASN 44 N 0.88 -0.22 -0.47 2.65 4.21 -1.97 1.60 115.58 122.25 3bsu h ASN 44 Ca 0.22 0.10 -0.13 0.00 1.21 0.00 0.00 56.30 57.70 3bsu h ASN 44 Cb 0.03 0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.40 3bsu h ASN 44 CO -0.04 -0.07 -0.22 -0.08 -1.29 0.00 0.00 177.43 175.73 3bsu h GLU 45 N 0.06 0.98 -0.12 0.81 4.57 -1.94 0.20 114.58 119.14 3bsu h GLU 45 Ca 0.18 -0.43 -0.01 0.00 -1.18 0.00 0.00 59.36 57.92 3bsu h GLU 45 Cb 0.27 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.82 3bsu h GLU 45 CO -0.34 1.10 0.02 0.00 -1.18 0.00 0.00 179.01 178.62 3bsu h ARG 47 N -0.02 0.66 0.00 0.00 2.43 0.26 0.59 114.38 118.29 3bsu h ARG 47 Ca 0.04 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3bsu h ARG 47 Cb 0.29 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3bsu h ARG 47 CO 0.00 0.44 -0.00 0.00 -1.51 0.00 0.00 179.97 178.90 3bsu h ALA 48 N 1.49 1.16 0.00 2.80 0.00 -0.86 -1.27 119.26 122.58 3bsu h ALA 48 Ca 0.41 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.98 3bsu h ALA 48 Cb 0.47 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3bsu h ALA 48 CO -0.30 0.00 -2.06 1.04 0.00 0.00 0.00 179.25 177.94 3bsu n GLN 49 N -3.31 0.66 -0.03 0.00 1.13 0.15 -4.66 117.38 111.31 3bsu n GLN 49 Ca -0.03 0.15 0.03 0.00 -1.94 0.00 0.00 57.00 55.21 3bsu n GLN 49 Cb 0.08 -1.66 -0.14 0.00 0.11 0.00 0.00 30.24 28.64 3bsu n GLN 49 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 3bsu n VAL 50 N -2.93 0.39 -2.04 5.09 0.24 -0.90 -1.40 118.33 116.78 3bsu n VAL 50 Ca -0.26 -0.51 -0.43 0.00 -2.04 0.00 0.00 64.34 61.10 3bsu n VAL 50 Cb 1.10 -0.13 -0.03 0.00 -1.47 0.00 0.00 33.84 33.31 3bsu n VAL 50 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3bsu s ASP 51 N -4.41 6.48 -0.75 -1.34 -1.08 -0.51 -1.89 116.67 113.18 3bsu s ASP 51 Ca -0.07 1.93 0.00 0.00 -0.52 0.00 0.00 52.55 53.89 3bsu s ASP 51 Cb 0.09 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 3bsu s ASP 51 CO 0.73 -1.12 0.00 0.54 0.52 0.00 0.00 175.17 175.83 3bsu n ARG 52 N 7.44 -0.60 -3.68 4.34 1.74 -1.26 -5.01 116.66 119.63 3bsu n ARG 52 Ca 0.18 0.55 -0.36 0.00 -0.77 0.00 0.00 57.85 57.46 3bsu n ARG 52 Cb 0.44 -4.45 -0.09 0.00 -1.02 0.00 0.00 32.46 27.34 3bsu n ARG 52 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3bsu s PHE 53 N -2.35 3.36 0.14 -1.55 2.19 -0.79 -5.04 117.98 113.93 3bsu s PHE 53 Ca 0.00 0.30 -0.31 0.00 0.33 0.00 0.00 56.93 57.24 3bsu s PHE 53 Cb 0.00 -2.23 -0.09 0.00 -1.31 0.00 0.00 43.02 39.39 3bsu s PHE 53 CO 0.00 0.17 1.43 -1.25 1.83 0.00 0.00 175.22 177.40 3bsu s PRO 54 N 0.73 4.30 -1.06 10.12 0.05 -1.26 -2.83 135.00 145.04 3bsu s PRO 54 Ca 0.08 2.15 0.00 0.00 0.05 0.00 0.00 61.00 63.29 3bsu s PRO 54 Cb -0.12 -3.21 0.00 0.00 0.05 0.00 0.00 34.50 31.21 3bsu s PRO 54 CO 0.02 -0.47 0.00 0.00 0.05 0.00 0.00 177.00 176.60 3bsu n ALA 55 N 3.79 -0.23 -1.74 8.56 0.00 -1.26 -4.96 120.51 124.67 3bsu n ALA 55 Ca 0.11 0.14 -0.42 0.00 0.00 0.00 0.00 53.44 53.28 3bsu n ALA 55 Cb 0.41 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 3bsu n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bsu n ALA 56 N 0.07 2.41 -3.94 0.00 0.00 -1.13 -4.83 120.51 113.09 3bsu n ALA 56 Ca -0.12 0.37 -0.29 0.00 0.00 0.00 0.00 53.44 53.40 3bsu n ALA 56 Cb 0.46 -2.44 -0.16 0.00 0.00 0.00 0.00 19.45 17.30 3bsu n ALA 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3bsu s ARG 57 N -0.68 1.73 0.08 0.00 3.52 -0.74 -4.91 118.95 117.95 3bsu s ARG 57 Ca 0.63 -0.64 -0.10 0.00 -0.13 0.00 0.00 55.73 55.49 3bsu s ARG 57 Cb -0.51 -2.17 0.00 0.00 -1.56 0.00 0.00 34.95 30.72 3bsu s ARG 57 CO 0.50 -0.41 0.21 -0.59 -0.81 0.00 0.00 175.30 174.20 3bsu s PHE 58 N 1.53 0.09 0.00 5.12 -0.12 -1.26 0.54 117.98 123.88 3bsu s PHE 58 Ca 0.00 -0.46 -0.28 0.00 -0.05 0.00 0.00 56.93 56.14 3bsu s PHE 58 Cb -0.15 -0.02 0.08 0.00 -0.63 0.00 0.00 43.02 42.29 3bsu s PHE 58 CO -0.08 -0.53 0.72 0.21 -0.05 0.00 0.00 175.22 175.49 3bsu s LYS 59 N -3.52 1.04 -0.07 1.99 2.20 -0.38 -5.00 119.74 116.01 3bsu s LYS 59 Ca 0.02 -0.02 -0.05 0.00 -0.36 0.00 0.00 55.97 55.57 3bsu s LYS 59 Cb 0.03 0.49 -0.04 0.00 -1.51 0.00 0.00 37.83 36.80 3bsu s LYS 59 CO -0.09 -0.38 0.13 -1.59 -0.36 0.00 0.00 175.35 173.06 3bsu s LYS 60 N -2.11 3.36 0.12 4.03 -2.85 -1.26 -0.86 119.74 120.16 3bsu s LYS 60 Ca -0.05 -0.25 0.07 0.00 -1.00 0.00 0.00 55.97 54.74 3bsu s LYS 60 Cb -0.00 -3.09 -0.04 0.00 -2.06 0.00 0.00 37.83 32.64 3bsu s LYS 60 CO 0.00 0.73 -0.16 -0.06 0.10 0.00 0.00 175.35 175.96 3bsu s PHE 61 N -1.12 1.50 0.37 1.78 0.40 0.87 -4.95 117.98 116.83 3bsu s PHE 61 Ca 0.19 -0.50 0.07 0.00 -0.60 0.00 0.00 56.93 56.10 3bsu s PHE 61 Cb -0.12 -0.79 0.74 0.00 0.51 0.00 0.00 43.02 43.36 3bsu s PHE 61 CO 0.09 0.17 1.92 0.00 0.70 0.00 0.00 175.22 178.10 3bsu h ALA 62 N 3.71 1.49 -2.16 5.36 0.00 -1.97 -0.96 119.26 124.73 3bsu h ALA 62 Ca -0.41 -0.18 -0.45 0.00 0.00 0.00 0.00 54.91 53.87 3bsu h ALA 62 Cb 1.19 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.73 3bsu h ALA 62 CO 0.47 0.36 -0.70 0.95 0.00 0.00 0.00 179.25 180.33 3bsu s THR 63 N -4.91 1.58 0.26 0.00 -4.23 -1.26 -4.71 115.64 102.37 3bsu s THR 63 Ca -0.07 -2.15 0.04 0.00 -1.18 0.00 0.00 61.69 58.34 3bsu s THR 63 Cb 0.16 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.77 3bsu s THR 63 CO 0.74 -0.46 1.63 -0.08 -0.54 0.00 0.00 174.62 175.92 3bsu h GLU 64 N 2.45 0.31 -0.37 3.99 4.81 -1.96 -2.68 114.58 121.12 3bsu h GLU 64 Ca -0.39 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 58.65 3bsu h GLU 64 Cb 1.22 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 3bsu h GLU 64 CO 0.64 0.72 0.13 0.22 -0.73 0.00 0.00 179.01 179.99 3bsu h ASP 65 N 0.25 0.53 -0.61 1.04 3.58 -1.98 0.14 116.42 119.36 3bsu h ASP 65 Ca 0.01 -0.19 -0.04 0.00 0.42 0.00 0.00 57.03 57.24 3bsu h ASP 65 Cb 0.92 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.81 3bsu h ASP 65 CO 0.08 0.57 0.25 -0.33 -2.88 0.00 0.00 179.24 176.93 3bsu h GLU 66 N 0.46 0.95 0.39 0.28 5.08 -1.97 -1.44 114.58 118.34 3bsu h GLU 66 Ca 0.12 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3bsu h GLU 66 Cb 0.22 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3bsu h GLU 66 CO -0.01 0.78 -0.19 0.00 -1.00 0.00 0.00 179.01 178.60 3bsu h ALA 67 N 1.34 -0.53 0.00 3.43 0.00 -1.08 -1.94 119.26 120.48 3bsu h ALA 67 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3bsu h ALA 67 Cb 0.20 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3bsu h ALA 67 CO -0.02 -0.69 0.00 -1.49 0.00 0.00 0.00 179.25 177.05 3bsu h TRP 68 N -0.74 0.00 -0.20 0.00 4.06 -0.61 -0.75 115.95 117.71 3bsu h TRP 68 Ca -0.05 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 60.71 3bsu h TRP 68 Cb 0.51 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.68 3bsu h TRP 68 CO -0.00 0.00 -0.62 0.00 -3.56 0.00 0.00 178.44 174.26 3bsu h ALA 69 N 2.09 0.35 -0.11 1.49 0.00 -0.69 -3.07 119.26 119.30 3bsu h ALA 69 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 54.91 54.25 3bsu h ALA 69 Cb 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3bsu h ALA 69 CO 0.00 0.61 -0.45 0.35 0.00 0.00 0.00 179.25 179.76 3bsu h PHE 70 N 0.51 0.33 -0.33 0.00 3.57 -0.42 -2.96 116.94 117.63 3bsu h PHE 70 Ca -0.02 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.34 3bsu h PHE 70 Cb 1.24 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 3bsu h PHE 70 CO 0.09 0.68 0.03 0.28 -2.23 0.00 0.00 178.31 177.15 3bsu h VAL 71 N 0.22 1.18 -0.06 1.41 2.07 -1.28 -3.12 116.25 116.67 3bsu h VAL 71 Ca 0.02 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3bsu h VAL 71 Cb 0.89 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3bsu h VAL 71 CO 0.07 0.24 0.00 0.54 0.02 0.00 0.00 177.57 178.44 3bsu n ARG 72 N -4.31 1.78 0.00 1.57 1.74 -1.12 -4.73 116.66 111.59 3bsu n ARG 72 Ca 0.02 -1.14 0.15 0.00 -0.77 0.00 0.00 57.85 56.11 3bsu n ARG 72 Cb 0.22 -1.46 0.83 0.00 -1.02 0.00 0.00 32.46 31.03 3bsu n ARG 72 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74