#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mox n SER 3 N 0.00 2.03 0.14 4.52 2.88 -1.26 -4.06 113.62 117.87 1mox n SER 3 Ca 0.00 0.22 0.13 0.00 -1.33 0.00 0.00 58.87 57.89 1mox n SER 3 Cb 0.00 -0.82 0.35 0.00 -0.75 0.00 0.00 64.21 62.99 1mox n SER 3 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1mox h HIS 4 N -0.29 0.00 -0.73 0.66 -0.00 -2.01 -3.46 115.15 109.33 1mox h HIS 4 Ca -0.45 0.00 -0.66 0.00 -0.00 0.00 0.00 60.37 59.26 1mox h HIS 4 Cb 1.80 0.00 -0.13 0.00 -0.00 0.00 0.00 27.41 29.08 1mox h HIS 4 CO 0.06 0.00 -0.51 -0.06 -0.00 0.00 0.00 177.93 177.42 1mox s PHE 5 N -3.15 1.84 0.19 2.45 0.40 -1.26 -0.08 117.98 118.37 1mox s PHE 5 Ca 0.09 -1.02 -0.23 0.00 -0.60 0.00 0.00 56.93 55.16 1mox s PHE 5 Cb 0.10 -1.53 0.05 0.00 0.51 0.00 0.00 43.02 42.15 1mox s PHE 5 CO 0.61 0.13 0.81 1.21 0.70 0.00 0.00 175.22 178.68 1mox s ASN 6 N -3.84 -0.27 1.06 1.36 3.04 0.64 -3.30 114.94 113.63 1mox s ASN 6 Ca 0.08 -0.41 -0.19 0.00 0.04 0.00 0.00 52.86 52.39 1mox s ASN 6 Cb 0.02 0.59 0.07 0.00 -1.54 0.00 0.00 41.25 40.38 1mox s ASN 6 CO 0.05 -1.07 -0.21 0.47 -3.04 0.00 0.00 177.10 173.30 1mox n ASP 7 N -0.44 -2.65 -3.84 -4.21 8.00 -1.26 -1.12 116.55 111.03 1mox n ASP 7 Ca -0.07 -0.18 -0.21 0.00 0.71 0.00 0.00 54.79 55.05 1mox n ASP 7 Cb 0.61 -0.81 -0.17 0.00 -0.02 0.00 0.00 41.12 40.73 1mox n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mox s PRO 9 N 1.31 2.65 -0.65 0.00 0.04 -1.26 -4.87 135.00 132.21 1mox s PRO 9 Ca -0.05 1.68 -0.26 0.00 0.04 0.00 0.00 61.00 62.40 1mox s PRO 9 Cb -0.13 -4.46 -0.03 0.00 0.04 0.00 0.00 34.50 29.91 1mox s PRO 9 CO -0.02 -2.66 1.91 0.16 0.04 0.00 0.00 177.00 176.43 1mox s ASP 10 N 10.00 5.19 0.95 6.66 -4.77 -1.26 -4.98 116.67 128.45 1mox s ASP 10 Ca 0.97 0.22 -0.14 0.00 -3.30 0.00 0.00 52.55 50.31 1mox s ASP 10 Cb -0.25 -2.53 0.16 0.00 -1.09 0.00 0.00 42.92 39.21 1mox s ASP 10 CO 0.30 -2.48 1.16 -0.94 0.70 0.00 0.00 175.17 173.92 1mox s SER 11 N 8.35 3.17 0.13 2.11 1.04 -1.26 -4.97 113.70 122.27 1mox s SER 11 Ca 0.69 0.81 -0.17 0.00 0.48 0.00 0.00 55.95 57.77 1mox s SER 11 Cb -0.12 -1.27 -0.02 0.00 0.10 0.00 0.00 66.02 64.71 1mox s SER 11 CO 0.18 -2.75 1.71 0.45 0.98 0.00 0.00 173.24 173.81 1mox h HIS 12 N -1.64 0.51 -3.33 5.02 3.86 -2.06 -3.39 115.15 114.13 1mox h HIS 12 Ca -0.49 -0.02 -0.59 0.00 -1.16 0.00 0.00 60.37 58.11 1mox h HIS 12 Cb 1.31 -0.16 -0.11 0.00 1.06 0.00 0.00 27.41 29.52 1mox h HIS 12 CO -0.22 0.43 -0.35 0.95 0.86 0.00 0.00 177.93 179.61 1mox s THR 13 N -5.73 5.31 0.51 2.45 -4.23 -1.26 -5.06 115.64 107.63 1mox s THR 13 Ca -0.13 0.49 -0.21 0.00 -1.18 0.00 0.00 61.69 60.66 1mox s THR 13 Cb 0.10 -3.61 -0.06 0.00 1.34 0.00 0.00 72.50 70.26 1mox s THR 13 CO 0.73 0.38 1.17 0.00 -0.54 0.00 0.00 174.62 176.37 1mox s GLN 14 N 0.58 3.46 -0.07 3.99 -2.07 -1.26 -4.97 119.66 119.32 1mox s GLN 14 Ca 0.15 1.76 -0.18 0.00 -1.82 0.00 0.00 55.36 55.27 1mox s GLN 14 Cb -0.13 -2.19 -0.30 0.00 -1.09 0.00 0.00 33.01 29.31 1mox s GLN 14 CO 0.03 -0.79 0.73 0.35 -1.32 0.00 0.00 175.29 174.29 1mox h PHE 15 N 1.55 0.55 -3.39 9.60 3.57 -1.95 -3.42 116.94 123.44 1mox h PHE 15 Ca -0.50 -0.40 -0.73 0.00 3.53 0.00 0.00 57.97 59.87 1mox h PHE 15 Cb 1.26 -0.02 -0.25 0.00 2.79 0.00 0.00 35.95 39.73 1mox h PHE 15 CO 0.51 1.47 -0.41 0.00 -2.23 0.00 0.00 178.31 177.66 1mox h PHE 17 N 8.57 0.68 -1.92 0.00 0.04 -1.57 -3.32 116.94 119.41 1mox h PHE 17 Ca -0.26 0.02 -0.53 0.00 2.80 0.00 0.00 57.97 60.00 1mox h PHE 17 Cb 1.10 -0.23 -0.38 0.00 2.20 0.00 0.00 35.95 38.64 1mox h PHE 17 CO 0.62 0.40 -1.10 0.72 -0.60 0.00 0.00 178.31 178.35 1mox n HIS 18 N -4.46 -0.40 0.00 -0.55 8.25 -1.04 -5.02 115.22 112.00 1mox n HIS 18 Ca 0.07 -3.53 0.00 0.00 -0.26 0.00 0.00 57.72 54.00 1mox n HIS 18 Cb 0.12 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 30.94 1mox n HIS 18 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mox n GLY 19 N 1.24 -0.97 3.80 -1.41 0.00 -1.25 0.14 105.19 106.74 1mox n GLY 19 Ca 0.21 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 1mox n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mox s THR 20 N -2.00 4.81 0.54 2.61 -4.23 -0.75 -4.66 115.64 111.95 1mox s THR 20 Ca 0.00 -0.39 -0.09 0.00 -1.18 0.00 0.00 61.69 60.03 1mox s THR 20 Cb 0.00 -3.21 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 1mox s THR 20 CO 0.00 0.34 0.91 0.00 -0.54 0.00 0.00 174.62 175.33 1mox s ARG 22 N -4.78 0.82 -0.26 0.00 1.70 -0.91 -4.74 118.95 110.78 1mox s ARG 22 Ca 0.52 0.77 -0.12 0.00 -0.47 0.00 0.00 55.73 56.44 1mox s ARG 22 Cb -0.11 0.40 -0.05 0.00 -0.57 0.00 0.00 34.95 34.62 1mox s ARG 22 CO 0.46 -0.13 0.23 0.12 -1.08 0.00 0.00 175.30 174.89 1mox s PHE 23 N 0.04 3.26 -0.30 5.89 5.36 -0.28 -1.10 117.98 130.86 1mox s PHE 23 Ca -0.02 0.23 -0.14 0.00 -0.96 0.00 0.00 56.93 56.04 1mox s PHE 23 Cb -0.04 -2.39 -0.03 0.00 -0.34 0.00 0.00 43.02 40.22 1mox s PHE 23 CO 0.03 -0.09 0.32 -0.48 -1.46 0.00 0.00 175.22 173.53 1mox s LEU 24 N 1.57 4.17 0.09 6.12 0.05 -0.68 -0.26 118.68 129.74 1mox s LEU 24 Ca 0.09 0.02 -0.25 0.00 0.05 0.00 0.00 54.13 54.05 1mox s LEU 24 Cb -0.15 -2.31 -0.09 0.00 -2.05 0.00 0.00 46.19 41.59 1mox s LEU 24 CO 0.09 -0.20 1.41 0.58 -0.55 0.00 0.00 176.35 177.68 1mox h VAL 25 N 5.43 0.00 -0.85 1.48 2.07 -0.79 -0.91 116.25 122.68 1mox h VAL 25 Ca -0.32 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.36 1mox h VAL 25 Cb 1.16 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1mox h VAL 25 CO 0.63 0.00 0.56 1.56 0.02 0.00 0.00 177.57 180.34 1mox h GLN 26 N -0.35 0.51 0.00 1.57 4.20 -1.94 -0.78 115.11 118.32 1mox h GLN 26 Ca 0.04 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1mox h GLN 26 Cb 0.47 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1mox h GLN 26 CO -0.40 0.34 -0.80 0.39 -0.67 0.00 0.00 178.83 177.68 1mox n GLU 27 N -4.53 0.00 -3.53 1.46 -0.58 -1.20 -5.00 120.64 107.27 1mox n GLU 27 Ca 0.17 -0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.74 1mox n GLU 27 Cb 0.56 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.93 1mox n GLU 27 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1mox n ASP 28 N -1.51 -5.93 -3.56 1.62 -0.08 -0.30 -5.00 116.55 101.79 1mox n ASP 28 Ca 0.05 -0.67 -0.08 0.00 -1.51 0.00 0.00 54.79 52.58 1mox n ASP 28 Cb 0.33 -3.14 -0.03 0.00 2.34 0.00 0.00 41.12 40.62 1mox n ASP 28 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1mox s LYS 29 N -4.43 0.59 0.31 -0.67 -2.85 -1.19 -5.02 119.74 106.47 1mox s LYS 29 Ca 0.06 -0.07 -0.18 0.00 -1.00 0.00 0.00 55.97 54.79 1mox s LYS 29 Cb -0.03 0.27 -0.09 0.00 -2.06 0.00 0.00 37.83 35.93 1mox s LYS 29 CO 0.84 -0.23 0.77 -1.25 0.10 0.00 0.00 175.35 175.58 1mox s PRO 30 N -2.05 4.13 0.33 1.78 0.04 -1.26 -1.69 135.00 136.27 1mox s PRO 30 Ca 0.03 0.81 0.05 0.00 0.04 0.00 0.00 61.00 61.93 1mox s PRO 30 Cb -0.01 -2.55 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 1mox s PRO 30 CO -0.04 0.21 0.22 0.00 0.04 0.00 0.00 177.00 177.43 1mox s ALA 31 N -1.85 2.02 0.35 8.56 0.00 -0.25 -4.94 121.76 125.64 1mox s ALA 31 Ca 0.52 -1.82 0.07 0.00 0.00 0.00 0.00 51.96 50.72 1mox s ALA 31 Cb -0.12 1.28 -0.07 0.00 0.00 0.00 0.00 23.12 24.21 1mox s ALA 31 CO 0.18 -0.57 -0.01 0.00 0.00 0.00 0.00 175.76 175.36 1mox s VAL 33 N -2.87 0.11 0.76 0.00 1.01 -0.87 -4.97 120.40 113.56 1mox s VAL 33 Ca 0.34 -1.71 -0.15 0.00 0.00 0.00 0.00 61.98 60.46 1mox s VAL 33 Cb 0.07 -1.09 0.04 0.00 0.00 0.00 0.00 36.38 35.40 1mox s VAL 33 CO 0.16 -0.98 1.10 0.00 0.00 0.00 0.00 175.10 175.38 1mox s HIS 35 N -1.92 3.80 0.03 0.00 3.76 0.37 -4.82 115.29 116.52 1mox s HIS 35 Ca 0.74 1.83 -0.37 0.00 -0.15 0.00 0.00 55.06 57.11 1mox s HIS 35 Cb -0.32 -2.98 -0.19 0.00 1.11 0.00 0.00 32.58 30.20 1mox s HIS 35 CO 0.50 0.24 0.97 -1.13 -0.85 0.00 0.00 174.74 174.46 1mox n SER 36 N 0.99 -0.20 0.00 1.40 3.41 -1.26 -2.37 113.62 115.58 1mox n SER 36 Ca 0.00 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 1mox n SER 36 Cb 0.48 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1mox n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mox n GLY 37 N 1.55 0.82 3.10 5.00 0.00 -1.26 -5.08 105.19 109.32 1mox n GLY 37 Ca 0.19 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1mox n GLY 37 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mox s TYR 38 N -2.00 0.16 0.15 1.61 1.51 -1.00 -2.65 117.35 115.13 1mox s TYR 38 Ca 0.00 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1mox s TYR 38 Cb 0.00 -0.12 -0.03 0.00 -0.11 0.00 0.00 41.96 41.70 1mox s TYR 38 CO 0.00 -0.32 0.12 0.14 -1.11 0.00 0.00 175.55 174.37 1mox s VAL 39 N -2.09 0.07 0.00 0.71 -7.23 0.22 -4.81 120.40 107.27 1mox s VAL 39 Ca -0.09 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1mox s VAL 39 Cb -0.04 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.78 1mox s VAL 39 CO -0.02 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 1mox n GLY 40 N -0.16 3.33 0.30 2.32 0.00 -1.26 -0.98 105.19 108.73 1mox n GLY 40 Ca -0.04 -1.90 0.11 0.00 0.00 0.00 0.00 46.02 44.20 1mox n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mox h ALA 41 N 0.00 2.14 -0.04 4.61 0.00 -2.01 -1.75 119.26 122.21 1mox h ALA 41 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1mox h ALA 41 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1mox h ALA 41 CO 0.00 -0.18 -0.06 0.54 0.00 0.00 0.00 179.25 179.55 1mox n ARG 42 N -4.49 1.51 -3.92 0.00 1.74 -1.26 -4.45 116.66 105.78 1mox n ARG 42 Ca 0.01 -2.70 -0.28 0.00 -0.77 0.00 0.00 57.85 54.11 1mox n ARG 42 Cb 0.24 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1mox n ARG 42 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mox n GLU 44 N -4.45 0.21 -4.57 0.00 0.00 -1.00 -2.50 120.64 108.33 1mox n GLU 44 Ca -0.15 -0.04 -0.34 0.00 0.00 0.00 0.00 57.16 56.64 1mox n GLU 44 Cb 0.61 -1.53 -0.11 0.00 0.00 0.00 0.00 31.44 30.40 1mox n GLU 44 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1mox s HIS 45 N -3.15 2.99 -0.02 -1.84 3.76 -0.15 -4.97 115.29 111.91 1mox s HIS 45 Ca 0.04 0.06 -0.25 0.00 -0.15 0.00 0.00 55.06 54.77 1mox s HIS 45 Cb 0.15 -1.73 -0.04 0.00 1.11 0.00 0.00 32.58 32.07 1mox s HIS 45 CO 0.84 0.37 0.75 0.00 -0.85 0.00 0.00 174.74 175.84 1mox s ALA 46 N -0.83 3.33 -0.60 -1.40 0.00 -1.26 0.70 121.76 121.71 1mox s ALA 46 Ca 0.13 0.22 -0.27 0.00 0.00 0.00 0.00 51.96 52.04 1mox s ALA 46 Cb -0.11 -3.00 -0.00 0.00 0.00 0.00 0.00 23.12 20.00 1mox s ALA 46 CO 0.02 -0.05 1.66 0.16 0.00 0.00 0.00 175.76 177.55 1mox s ASP 47 N 0.51 5.66 0.00 0.00 1.47 -1.09 -4.72 116.67 118.50 1mox s ASP 47 Ca 0.39 0.29 0.00 0.00 1.18 0.00 0.00 52.55 54.41 1mox s ASP 47 Cb -0.19 -2.54 0.00 0.00 -0.34 0.00 0.00 42.92 39.85 1mox s ASP 47 CO 0.21 -2.08 0.98 0.18 0.68 0.00 0.00 175.17 175.13 1mox n LEU 48 N 11.28 0.00 -2.36 2.11 4.77 -1.26 -2.24 117.00 129.29 1mox n LEU 48 Ca 0.16 0.48 -0.20 0.00 -0.03 0.00 0.00 56.01 56.42 1mox n LEU 48 Cb 0.50 -0.48 -0.12 0.00 -2.33 0.00 0.00 43.42 41.00 1mox n LEU 48 CO 0.71 -0.48 1.96 0.18 -1.33 0.00 0.00 177.39 178.43 1mox n LEU 49 N -1.48 6.16 -0.09 2.23 4.77 -1.26 -5.27 117.00 122.06 1mox n LEU 49 Ca 0.00 -3.59 0.16 0.00 -0.03 0.00 0.00 56.01 52.55 1mox n LEU 49 Cb 0.01 -1.42 0.87 0.00 -2.33 0.00 0.00 43.42 40.56 1mox n LEU 49 CO 0.00 1.79 1.07 0.00 -1.33 0.00 0.00 177.39 178.91