#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nu0 s ASP 7 N 0.00 3.34 -0.46 4.52 2.15 -1.26 -5.03 116.67 119.93 2nu0 s ASP 7 Ca 0.00 -0.59 0.04 0.00 0.43 0.00 0.00 52.55 52.43 2nu0 s ASP 7 Cb 0.00 -1.52 0.62 0.00 -0.30 0.00 0.00 42.92 41.72 2nu0 s ASP 7 CO 0.00 0.02 1.87 0.00 -0.17 0.00 0.00 175.17 176.89 2nu0 h SER 9 N 1.13 0.76 0.00 0.00 0.02 -1.97 -3.01 113.55 110.48 2nu0 h SER 9 Ca 0.59 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2nu0 h SER 9 Cb 2.48 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.80 2nu0 h SER 9 CO 1.08 1.21 0.00 -0.62 -1.14 0.00 0.00 176.83 177.36 2nu0 n GLU 10 N -3.94 0.76 -3.98 3.45 1.02 -1.26 -4.79 120.64 111.90 2nu0 n GLU 10 Ca -0.05 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.88 2nu0 n GLU 10 Cb 0.67 -1.06 -0.04 0.00 -0.02 0.00 0.00 31.44 30.99 2nu0 n GLU 10 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2nu0 s TYR 11 N -1.85 2.99 0.68 -0.32 1.51 -1.14 -4.50 117.35 114.72 2nu0 s TYR 11 Ca 0.00 -0.21 -0.11 0.00 -1.01 0.00 0.00 57.07 55.74 2nu0 s TYR 11 Cb 0.00 -1.58 0.01 0.00 -0.11 0.00 0.00 41.96 40.28 2nu0 s TYR 11 CO 0.00 0.36 1.06 -1.25 -1.11 0.00 0.00 175.55 174.62 2nu0 s PRO 12 N -3.91 2.92 -0.05 -1.71 0.04 -1.26 -5.05 135.00 125.97 2nu0 s PRO 12 Ca 0.37 0.41 0.06 0.00 0.04 0.00 0.00 61.00 61.88 2nu0 s PRO 12 Cb -0.07 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 2nu0 s PRO 12 CO 0.25 -0.95 -0.25 0.15 0.04 0.00 0.00 177.00 176.24 2nu0 s LYS 13 N -5.29 2.47 0.42 4.56 1.02 -1.26 -5.02 119.74 116.63 2nu0 s LYS 13 Ca 0.57 -0.90 0.29 0.00 0.02 0.00 0.00 55.97 55.96 2nu0 s LYS 13 Cb -0.11 -2.13 1.37 0.00 -0.52 0.00 0.00 37.83 36.45 2nu0 s LYS 13 CO 0.51 0.40 1.88 -1.00 -0.92 0.00 0.00 175.35 176.22 2nu0 h PRO 14 N 5.99 0.00 -3.06 -1.68 0.13 -2.01 -3.44 132.00 127.92 2nu0 h PRO 14 Ca -0.33 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.71 2nu0 h PRO 14 Cb 1.17 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.12 2nu0 h PRO 14 CO 0.47 0.00 -0.18 0.00 -0.23 0.00 0.00 178.00 178.06 2nu0 s ALA 15 N -3.60 -0.89 0.04 -0.56 0.00 -1.26 -5.16 121.76 110.33 2nu0 s ALA 15 Ca 0.00 0.27 0.05 0.00 0.00 0.00 0.00 51.96 52.28 2nu0 s ALA 15 Cb 0.09 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 2nu0 s ALA 15 CO 0.39 -0.39 -0.14 0.00 0.00 0.00 0.00 175.76 175.62 2nu0 s THR 17 N -0.93 3.25 -0.49 0.00 -4.23 -1.26 -4.99 115.64 106.99 2nu0 s THR 17 Ca 0.01 0.40 0.03 0.00 -1.18 0.00 0.00 61.69 60.95 2nu0 s THR 17 Cb -0.08 -3.24 0.43 0.00 1.34 0.00 0.00 72.50 70.95 2nu0 s THR 17 CO 0.01 -0.53 1.49 0.79 -0.54 0.00 0.00 174.62 175.85 2nu0 n TRP 18 N -3.27 3.05 -2.17 3.99 5.03 -1.26 -4.94 117.44 117.87 2nu0 n TRP 18 Ca 0.07 -2.63 -0.30 0.00 3.03 0.00 0.00 57.50 57.67 2nu0 n TRP 18 Cb 0.56 -0.67 0.00 0.00 -1.03 0.00 0.00 31.31 30.18 2nu0 n TRP 18 CO 0.00 0.00 0.00 -1.83 -0.03 0.00 0.00 177.69 175.83 2nu0 s GLU 19 N -3.71 3.62 -0.26 -0.99 1.03 -1.26 -5.04 118.70 112.09 2nu0 s GLU 19 Ca 0.54 0.61 -0.06 0.00 0.03 0.00 0.00 54.97 56.09 2nu0 s GLU 19 Cb 0.44 -2.18 -0.00 0.00 -0.80 0.00 0.00 34.13 31.58 2nu0 s GLU 19 CO -0.08 -0.42 0.04 -0.47 -1.33 0.00 0.00 175.26 172.99 2nu0 s TYR 20 N -2.98 3.08 -0.48 4.83 5.04 -1.26 -4.51 117.35 121.08 2nu0 s TYR 20 Ca 0.53 -0.86 0.06 0.00 -2.44 0.00 0.00 57.07 54.36 2nu0 s TYR 20 Cb -0.11 -2.20 0.19 0.00 0.35 0.00 0.00 41.96 40.19 2nu0 s TYR 20 CO 0.49 -0.52 0.59 0.54 -1.34 0.00 0.00 175.55 175.30 2nu0 n ARG 21 N 4.85 0.42 -1.64 4.97 1.74 0.11 -5.02 116.66 122.09 2nu0 n ARG 21 Ca -0.16 -2.46 -0.37 0.00 -0.77 0.00 0.00 57.85 54.09 2nu0 n ARG 21 Cb 0.49 -1.54 0.07 0.00 -1.02 0.00 0.00 32.46 30.47 2nu0 n ARG 21 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2nu0 n PRO 22 N 2.83 0.96 -4.12 5.56 -0.04 -1.16 -3.86 135.00 135.18 2nu0 n PRO 22 Ca 0.22 0.38 -0.15 0.00 -0.04 0.00 0.00 63.50 63.92 2nu0 n PRO 22 Cb 0.53 -2.42 -0.11 0.00 -0.04 0.00 0.00 33.50 31.46 2nu0 n PRO 22 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2nu0 s LEU 23 N -3.80 2.29 -0.25 1.53 1.43 0.28 -1.33 118.68 118.84 2nu0 s LEU 23 Ca 0.80 -0.63 -0.06 0.00 -1.03 0.00 0.00 54.13 53.21 2nu0 s LEU 23 Cb -0.38 -0.29 -0.02 0.00 0.03 0.00 0.00 46.19 45.54 2nu0 s LEU 23 CO 0.43 -0.19 0.04 0.00 0.23 0.00 0.00 176.35 176.86 2nu0 s GLY 25 N 1.56 1.64 0.00 0.00 0.00 -0.69 -0.09 107.32 109.74 2nu0 s GLY 25 Ca 0.06 -0.79 0.18 0.00 0.00 0.00 0.00 44.72 44.17 2nu0 s GLY 25 CO 0.01 -0.46 1.53 -1.14 0.00 0.00 0.00 173.10 173.04 2nu0 n SER 26 N -2.71 0.00 -1.17 1.64 3.41 0.52 -1.60 113.62 113.71 2nu0 n SER 26 Ca 0.06 0.01 0.10 0.00 -0.26 0.00 0.00 58.87 58.78 2nu0 n SER 26 Cb 0.59 -0.27 0.28 0.00 -0.26 0.00 0.00 64.21 64.54 2nu0 n SER 26 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2nu0 n ASP 27 N -1.27 3.40 -0.51 4.04 5.75 -1.26 -4.92 116.55 121.78 2nu0 n ASP 27 Ca 0.09 -2.05 -0.07 0.00 -0.01 0.00 0.00 54.79 52.75 2nu0 n ASP 27 Cb 0.14 -0.43 -0.03 0.00 -1.03 0.00 0.00 41.12 39.77 2nu0 n ASP 27 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2nu0 n ASN 28 N 1.26 -4.77 -4.85 -1.12 3.02 -0.63 -4.99 115.26 103.18 2nu0 n ASN 28 Ca 0.21 0.17 -0.37 0.00 -0.03 0.00 0.00 54.58 54.55 2nu0 n ASN 28 Cb 0.55 -2.86 -0.06 0.00 -0.61 0.00 0.00 39.78 36.80 2nu0 n ASN 28 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2nu0 s LYS 29 N -2.21 3.62 -0.12 3.52 2.20 -1.26 -4.87 119.74 120.63 2nu0 s LYS 29 Ca 0.00 -0.02 -0.25 0.00 -0.36 0.00 0.00 55.97 55.33 2nu0 s LYS 29 Cb 0.00 -3.22 -0.02 0.00 -1.51 0.00 0.00 37.83 33.07 2nu0 s LYS 29 CO 0.00 0.71 0.81 0.99 -0.36 0.00 0.00 175.35 177.50 2nu0 s THR 30 N -0.87 4.93 -0.20 3.43 2.01 -1.26 -1.71 115.64 121.96 2nu0 s THR 30 Ca 0.16 1.63 -0.11 0.00 0.31 0.00 0.00 61.69 63.69 2nu0 s THR 30 Cb -0.13 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 2nu0 s THR 30 CO 0.05 0.11 0.15 -0.31 -0.69 0.00 0.00 174.62 173.94 2nu0 s TYR 31 N 1.61 3.40 0.53 4.92 1.51 0.11 -4.93 117.35 124.50 2nu0 s TYR 31 Ca 0.40 0.35 0.20 0.00 -1.01 0.00 0.00 57.07 57.01 2nu0 s TYR 31 Cb -0.17 -2.20 1.35 0.00 -0.11 0.00 0.00 41.96 40.83 2nu0 s TYR 31 CO 0.16 0.25 2.10 0.78 -1.11 0.00 0.00 175.55 177.73 2nu0 h GLY 32 N 6.79 0.00 -2.15 0.71 0.00 -1.87 0.81 103.07 107.36 2nu0 h GLY 32 Ca -0.41 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.04 2nu0 h GLY 32 CO 0.75 0.00 0.34 0.54 0.00 0.00 0.00 176.54 178.17 2nu0 s ASN 33 N -6.70 -0.22 0.32 0.19 2.20 -1.25 0.09 114.94 109.57 2nu0 s ASN 33 Ca -0.05 -0.52 0.01 0.00 -0.94 0.00 0.00 52.86 51.36 2nu0 s ASN 33 Cb 0.18 0.62 0.55 0.00 -2.00 0.00 0.00 41.25 40.59 2nu0 s ASN 33 CO 0.68 -1.15 1.94 0.50 -2.94 0.00 0.00 177.10 176.12 2nu0 h LYS 34 N 2.00 0.82 -0.49 3.55 3.64 -1.88 -1.16 116.57 123.04 2nu0 h LYS 34 Ca -0.21 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.01 2nu0 h LYS 34 Cb 1.24 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 2nu0 h LYS 34 CO 0.24 0.62 0.05 0.00 -2.27 0.00 0.00 179.45 178.09 2nu0 h ASN 36 N 0.69 0.50 0.06 0.00 -0.73 -1.85 -2.13 115.58 112.12 2nu0 h ASN 36 Ca 0.14 -0.13 -0.00 0.00 1.87 0.00 0.00 56.30 58.19 2nu0 h ASN 36 Cb 0.45 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.91 2nu0 h ASN 36 CO 0.02 0.49 -0.03 0.15 -0.37 0.00 0.00 177.43 177.69 2nu0 h PHE 37 N 0.48 -0.07 -0.31 0.67 3.57 -0.95 -2.71 116.94 117.62 2nu0 h PHE 37 Ca 0.13 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 2nu0 h PHE 37 Cb 0.12 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2nu0 h PHE 37 CO -0.01 0.10 0.13 0.00 -2.23 0.00 0.00 178.31 176.30 2nu0 h ASN 39 N 0.43 0.73 -0.26 0.00 2.35 -1.31 -2.21 115.58 115.31 2nu0 h ASN 39 Ca 0.11 -0.35 -0.10 0.00 -0.55 0.00 0.00 56.30 55.41 2nu0 h ASN 39 Cb 0.08 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2nu0 h ASN 39 CO -0.01 1.07 -0.18 0.00 -1.65 0.00 0.00 177.43 176.66 2nu0 h ALA 40 N 0.96 0.98 -0.24 -0.83 0.00 -1.10 0.71 119.26 119.74 2nu0 h ALA 40 Ca 0.04 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.62 2nu0 h ALA 40 Cb 0.99 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2nu0 h ALA 40 CO 0.09 0.60 0.11 0.28 0.00 0.00 0.00 179.25 180.33 2nu0 h VAL 41 N 0.63 0.98 -0.01 0.00 2.07 -0.97 0.77 116.25 119.73 2nu0 h VAL 41 Ca 0.10 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2nu0 h VAL 41 Cb 0.65 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2nu0 h VAL 41 CO 0.05 0.04 0.00 0.58 0.02 0.00 0.00 177.57 178.27 2nu0 h VAL 42 N 0.24 1.00 -0.00 2.57 2.07 -1.06 -1.20 116.25 119.86 2nu0 h VAL 42 Ca 0.10 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2nu0 h VAL 42 Cb 0.04 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2nu0 h VAL 42 CO -0.08 0.00 0.01 -0.08 0.02 0.00 0.00 177.57 177.44 2nu0 h GLU 43 N 0.01 0.00 -0.16 1.57 4.81 -0.48 0.44 114.58 120.78 2nu0 h GLU 43 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2nu0 h GLU 43 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2nu0 h GLU 43 CO -0.01 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.14 2nu0 n SER 44 N -3.72 1.50 -2.89 1.04 3.41 0.23 -4.90 113.62 108.29 2nu0 n SER 44 Ca -0.03 -1.70 -0.20 0.00 -0.26 0.00 0.00 58.87 56.68 2nu0 n SER 44 Cb 0.08 -0.10 0.05 0.00 -0.26 0.00 0.00 64.21 63.98 2nu0 n SER 44 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2nu0 n ASN 45 N 0.22 -5.73 0.00 4.04 5.15 0.16 -2.54 115.26 116.55 2nu0 n ASN 45 Ca 0.16 -0.33 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 2nu0 n ASN 45 Cb 0.30 -4.49 0.00 0.00 -0.53 0.00 0.00 39.78 35.06 2nu0 n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2nu0 n GLY 46 N -1.58 0.64 0.10 8.20 0.00 -0.55 -4.94 105.19 107.06 2nu0 n GLY 46 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 2nu0 n GLY 46 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2nu0 h THR 47 N 0.00 0.99 -3.67 2.61 1.35 -1.68 -3.45 112.91 109.05 2nu0 h THR 47 Ca 0.00 -2.53 -0.51 0.00 -0.55 0.00 0.00 66.41 62.82 2nu0 h THR 47 Cb 0.00 2.43 -0.00 0.00 -1.73 0.00 0.00 68.15 68.85 2nu0 h THR 47 CO 0.00 0.56 0.42 -0.22 -0.25 0.00 0.00 175.52 176.03 2nu0 s LEU 48 N -6.30 4.55 0.25 3.87 2.96 -1.26 -5.04 118.68 117.71 2nu0 s LEU 48 Ca 0.00 2.04 0.03 0.00 -0.22 0.00 0.00 54.13 55.98 2nu0 s LEU 48 Cb 0.09 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.11 2nu0 s LEU 48 CO 0.79 -0.06 0.04 0.42 -1.32 0.00 0.00 176.35 176.22 2nu0 s THR 49 N -0.69 0.86 -0.10 3.68 -4.23 -1.26 -4.83 115.64 109.07 2nu0 s THR 49 Ca 0.45 -2.01 -0.27 0.00 -1.18 0.00 0.00 61.69 58.68 2nu0 s THR 49 Cb -0.28 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.03 2nu0 s THR 49 CO 0.34 -0.17 0.88 -0.22 -0.54 0.00 0.00 174.62 174.92 2nu0 s LEU 50 N -3.33 4.26 -0.17 4.79 2.96 -1.26 -0.36 118.68 125.57 2nu0 s LEU 50 Ca 0.33 1.36 -0.17 0.00 -0.22 0.00 0.00 54.13 55.43 2nu0 s LEU 50 Cb 0.07 -3.36 -0.14 0.00 0.50 0.00 0.00 46.19 43.27 2nu0 s LEU 50 CO 0.11 -0.33 0.16 -1.28 -1.32 0.00 0.00 176.35 173.69 2nu0 h SER 51 N 7.06 0.00 -4.89 3.68 0.87 -0.72 -3.45 113.55 116.10 2nu0 h SER 51 Ca -0.34 -0.38 0.12 0.00 -1.23 0.00 0.00 61.79 59.95 2nu0 h SER 51 Cb 1.16 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.00 2nu0 h SER 51 CO 0.81 1.12 0.46 -1.38 -0.53 0.00 0.00 176.83 177.30 2nu0 s HIS 52 N -2.23 -0.30 0.44 2.24 0.00 -1.03 -5.02 115.29 109.39 2nu0 s HIS 52 Ca -0.21 0.10 -0.20 0.00 -3.00 0.00 0.00 55.06 51.75 2nu0 s HIS 52 Cb 0.03 0.57 -0.10 0.00 -4.00 0.00 0.00 32.58 29.08 2nu0 s HIS 52 CO 0.44 -0.67 0.96 -0.06 -1.00 0.00 0.00 174.74 174.41 2nu0 s PHE 53 N -3.25 3.32 0.00 0.38 0.40 -1.26 -0.35 117.98 117.22 2nu0 s PHE 53 Ca 0.07 1.59 0.00 0.00 -0.60 0.00 0.00 56.93 57.99 2nu0 s PHE 53 Cb -0.01 -2.85 0.00 0.00 0.51 0.00 0.00 43.02 40.67 2nu0 s PHE 53 CO -0.06 -0.17 0.00 0.41 0.70 0.00 0.00 175.22 176.10 2nu0 n GLY 54 N -0.76 0.17 3.77 4.36 0.00 -0.44 -4.75 105.19 107.54 2nu0 n GLY 54 Ca 0.07 -2.00 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 2nu0 n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nu0 s LYS 55 N -1.12 2.98 0.00 1.61 1.02 -1.26 -2.00 119.74 120.97 2nu0 s LYS 55 Ca 0.00 1.47 0.22 0.00 0.02 0.00 0.00 55.97 57.68 2nu0 s LYS 55 Cb 0.00 -1.97 1.33 0.00 -0.52 0.00 0.00 37.83 36.68 2nu0 s LYS 55 CO 0.00 -1.12 1.71 0.00 -0.92 0.00 0.00 175.35 175.02