#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nu1 s ASP 7 N 0.00 4.34 -0.38 4.52 2.15 -1.26 -5.02 116.67 121.02 2nu1 s ASP 7 Ca 0.00 -0.20 0.06 0.00 0.43 0.00 0.00 52.55 52.84 2nu1 s ASP 7 Cb 0.00 -1.50 0.63 0.00 -0.30 0.00 0.00 42.92 41.75 2nu1 s ASP 7 CO 0.00 0.22 1.76 0.00 -0.17 0.00 0.00 175.17 176.98 2nu1 h SER 9 N 1.21 -0.21 0.00 0.00 0.87 -1.98 -2.74 113.55 110.69 2nu1 h SER 9 Ca 0.46 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 2nu1 h SER 9 Cb 2.42 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 64.46 2nu1 h SER 9 CO 0.83 -0.12 0.00 -1.84 -0.53 0.00 0.00 176.83 175.17 2nu1 n GLU 10 N -5.19 0.71 -4.37 2.24 0.28 -1.26 -4.77 120.64 108.28 2nu1 n GLU 10 Ca -0.07 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.70 2nu1 n GLU 10 Cb 0.12 -1.25 -0.08 0.00 1.43 0.00 0.00 31.44 31.65 2nu1 n GLU 10 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2nu1 s TYR 11 N -0.36 2.53 0.79 -1.84 1.51 -1.04 -4.54 117.35 114.39 2nu1 s TYR 11 Ca 0.00 -0.27 -0.12 0.00 -1.01 0.00 0.00 57.07 55.67 2nu1 s TYR 11 Cb 0.00 -1.12 0.06 0.00 -0.11 0.00 0.00 41.96 40.80 2nu1 s TYR 11 CO 0.00 0.65 1.16 -1.25 -1.11 0.00 0.00 175.55 175.00 2nu1 s PRO 12 N -3.55 2.17 -0.04 -1.71 0.04 -1.26 -5.05 135.00 125.60 2nu1 s PRO 12 Ca 0.30 0.20 0.05 0.00 0.04 0.00 0.00 61.00 61.59 2nu1 s PRO 12 Cb -0.06 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 2nu1 s PRO 12 CO 0.18 -1.47 -0.18 0.15 0.04 0.00 0.00 177.00 175.72 2nu1 s LYS 13 N -5.52 1.74 0.28 4.56 1.02 -1.26 -5.04 119.74 115.53 2nu1 s LYS 13 Ca 0.61 -0.63 0.23 0.00 0.02 0.00 0.00 55.97 56.20 2nu1 s LYS 13 Cb -0.11 -1.54 1.05 0.00 -0.52 0.00 0.00 37.83 36.71 2nu1 s LYS 13 CO 0.50 0.28 1.69 -0.35 -0.92 0.00 0.00 175.35 176.55 2nu1 n PRO 14 N 3.04 0.18 -3.56 -1.68 -0.04 -1.26 -4.79 135.00 126.89 2nu1 n PRO 14 Ca -0.17 0.50 -0.14 0.00 -0.04 0.00 0.00 63.50 63.65 2nu1 n PRO 14 Cb 0.53 -1.91 -0.05 0.00 -0.04 0.00 0.00 33.50 32.03 2nu1 n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2nu1 s ALA 15 N -3.41 -1.34 0.06 0.55 0.00 -1.26 -5.17 121.76 111.19 2nu1 s ALA 15 Ca 0.02 0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.59 2nu1 s ALA 15 Cb 0.08 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.61 2nu1 s ALA 15 CO 0.32 -0.53 -0.11 0.00 0.00 0.00 0.00 175.76 175.44 2nu1 s THR 17 N -1.27 4.27 -0.55 0.00 -4.23 -1.26 -5.00 115.64 107.60 2nu1 s THR 17 Ca -0.05 0.74 0.02 0.00 -1.18 0.00 0.00 61.69 61.21 2nu1 s THR 17 Cb -0.10 -3.63 0.43 0.00 1.34 0.00 0.00 72.50 70.55 2nu1 s THR 17 CO 0.01 -0.96 1.64 1.41 -0.54 0.00 0.00 174.62 176.18 2nu1 n HIS 18 N -2.95 3.07 -2.41 3.99 8.25 -1.26 -4.93 115.22 118.99 2nu1 n HIS 18 Ca 0.07 -2.67 -0.31 0.00 -0.26 0.00 0.00 57.72 54.54 2nu1 n HIS 18 Cb 0.54 -0.87 -0.02 0.00 1.12 0.00 0.00 29.99 30.76 2nu1 n HIS 18 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 2nu1 s GLU 19 N -3.76 3.77 -0.35 -0.41 1.03 -1.26 -5.04 118.70 112.68 2nu1 s GLU 19 Ca 0.56 0.69 -0.09 0.00 0.03 0.00 0.00 54.97 56.17 2nu1 s GLU 19 Cb 0.45 -2.22 0.03 0.00 -0.80 0.00 0.00 34.13 31.59 2nu1 s GLU 19 CO -0.09 -0.28 0.15 -0.47 -1.33 0.00 0.00 175.26 173.24 2nu1 s TYR 20 N -2.71 3.23 -0.42 4.83 5.04 -1.26 -4.53 117.35 121.53 2nu1 s TYR 20 Ca 0.55 -1.11 0.04 0.00 -2.44 0.00 0.00 57.07 54.11 2nu1 s TYR 20 Cb -0.10 -2.35 0.17 0.00 0.35 0.00 0.00 41.96 40.02 2nu1 s TYR 20 CO 0.38 -0.66 0.44 1.03 -1.34 0.00 0.00 175.55 175.41 2nu1 s ARG 21 N 1.50 0.86 0.60 4.97 0.52 0.64 -5.03 118.95 123.01 2nu1 s ARG 21 Ca 0.01 -1.47 -0.19 0.00 -0.52 0.00 0.00 55.73 53.56 2nu1 s ARG 21 Cb -0.19 -0.88 -0.03 0.00 0.52 0.00 0.00 34.95 34.37 2nu1 s ARG 21 CO 0.05 -1.31 1.21 -1.25 0.02 0.00 0.00 175.30 174.01 2nu1 s PRO 22 N 0.68 2.95 0.05 3.54 0.04 -1.20 -3.78 135.00 137.29 2nu1 s PRO 22 Ca 0.27 1.82 0.04 0.00 0.04 0.00 0.00 61.00 63.17 2nu1 s PRO 22 Cb -0.04 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 2nu1 s PRO 22 CO -0.10 -1.22 -0.13 -0.51 0.04 0.00 0.00 177.00 175.08 2nu1 s LEU 23 N -4.11 2.22 -0.27 -3.56 1.43 0.04 -1.06 118.68 113.38 2nu1 s LEU 23 Ca 0.77 -0.53 -0.08 0.00 -1.03 0.00 0.00 54.13 53.27 2nu1 s LEU 23 Cb -0.30 -0.48 -0.02 0.00 0.03 0.00 0.00 46.19 45.42 2nu1 s LEU 23 CO 0.33 -0.05 0.08 0.00 0.23 0.00 0.00 176.35 176.95 2nu1 s GLY 25 N 1.59 1.62 0.10 0.00 0.00 -0.75 -0.35 107.32 109.54 2nu1 s GLY 25 Ca 0.05 -0.74 0.15 0.00 0.00 0.00 0.00 44.72 44.18 2nu1 s GLY 25 CO 0.04 -0.45 1.45 -1.14 0.00 0.00 0.00 173.10 173.00 2nu1 n SER 26 N -2.62 0.23 -0.97 1.64 3.41 0.93 -1.26 113.62 114.99 2nu1 n SER 26 Ca 0.05 0.57 0.08 0.00 -0.26 0.00 0.00 58.87 59.31 2nu1 n SER 26 Cb 0.58 -0.61 0.23 0.00 -0.26 0.00 0.00 64.21 64.14 2nu1 n SER 26 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2nu1 n ASP 27 N -1.77 2.81 -0.65 4.04 5.75 -1.26 -4.91 116.55 120.55 2nu1 n ASP 27 Ca 0.02 -2.05 -0.08 0.00 -0.01 0.00 0.00 54.79 52.67 2nu1 n ASP 27 Cb 0.14 -0.36 -0.04 0.00 -1.03 0.00 0.00 41.12 39.83 2nu1 n ASP 27 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2nu1 n ASN 28 N 0.94 -4.88 -4.80 -1.12 3.02 -0.39 -5.00 115.26 103.03 2nu1 n ASN 28 Ca 0.17 0.21 -0.36 0.00 -0.03 0.00 0.00 54.58 54.57 2nu1 n ASN 28 Cb 0.46 -3.13 -0.07 0.00 -0.61 0.00 0.00 39.78 36.43 2nu1 n ASN 28 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2nu1 s LYS 29 N -2.46 3.85 -0.16 3.52 2.20 -1.26 -4.87 119.74 120.56 2nu1 s LYS 29 Ca 0.00 -0.16 -0.29 0.00 -0.36 0.00 0.00 55.97 55.16 2nu1 s LYS 29 Cb 0.00 -3.31 -0.00 0.00 -1.51 0.00 0.00 37.83 33.00 2nu1 s LYS 29 CO 0.00 0.52 1.07 0.99 -0.36 0.00 0.00 175.35 177.57 2nu1 s THR 30 N -0.29 4.64 -0.13 3.43 2.01 -1.26 -1.80 115.64 122.24 2nu1 s THR 30 Ca 0.12 1.95 -0.14 0.00 0.31 0.00 0.00 61.69 63.93 2nu1 s THR 30 Cb -0.12 -4.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.09 2nu1 s THR 30 CO 0.01 -0.09 0.31 -0.31 -0.69 0.00 0.00 174.62 173.85 2nu1 s TYR 31 N 2.70 3.51 0.49 4.92 1.51 0.19 -4.93 117.35 125.74 2nu1 s TYR 31 Ca 0.48 0.66 0.24 0.00 -1.01 0.00 0.00 57.07 57.44 2nu1 s TYR 31 Cb -0.18 -2.31 1.46 0.00 -0.11 0.00 0.00 41.96 40.82 2nu1 s TYR 31 CO 0.13 0.33 2.13 0.78 -1.11 0.00 0.00 175.55 177.81 2nu1 h GLY 32 N 6.27 0.00 -2.07 0.71 0.00 -1.88 0.16 103.07 106.26 2nu1 h GLY 32 Ca -0.44 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.07 2nu1 h GLY 32 CO 0.72 0.00 0.52 0.54 0.00 0.00 0.00 176.54 178.32 2nu1 s ASN 33 N -6.44 -0.11 0.28 0.19 2.20 -1.25 -0.26 114.94 109.55 2nu1 s ASN 33 Ca -0.04 -0.50 -0.03 0.00 -0.94 0.00 0.00 52.86 51.34 2nu1 s ASN 33 Cb 0.15 0.49 0.36 0.00 -2.00 0.00 0.00 41.25 40.25 2nu1 s ASN 33 CO 0.61 -0.93 1.91 0.50 -2.94 0.00 0.00 177.10 176.25 2nu1 h LYS 34 N 2.00 1.11 -0.44 3.55 3.64 -1.90 -1.25 116.57 123.29 2nu1 h LYS 34 Ca -0.26 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 58.97 2nu1 h LYS 34 Cb 1.23 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 2nu1 h LYS 34 CO 0.29 0.79 0.10 0.00 -2.27 0.00 0.00 179.45 178.36 2nu1 h ASN 36 N 0.58 -0.23 -0.08 0.00 -1.24 -1.87 -1.33 115.58 111.40 2nu1 h ASN 36 Ca 0.14 0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.17 2nu1 h ASN 36 Cb 0.33 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.43 2nu1 h ASN 36 CO 0.00 -0.16 0.00 0.15 -1.29 0.00 0.00 177.43 176.14 2nu1 h PHE 37 N -0.26 0.00 -0.48 0.67 3.57 -1.05 -2.39 116.94 117.01 2nu1 h PHE 37 Ca -0.02 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2nu1 h PHE 37 Cb 0.20 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2nu1 h PHE 37 CO -0.07 -0.01 0.23 0.00 -2.23 0.00 0.00 178.31 176.24 2nu1 h ASN 39 N 0.66 0.76 -0.51 0.00 2.35 -1.00 -2.11 115.58 115.74 2nu1 h ASN 39 Ca 0.17 -0.26 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 2nu1 h ASN 39 Cb 0.06 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 2nu1 h ASN 39 CO -0.02 0.95 0.14 0.00 -1.65 0.00 0.00 177.43 176.85 2nu1 h ALA 40 N 1.11 0.68 -0.43 -0.83 0.00 -0.89 -0.17 119.26 118.72 2nu1 h ALA 40 Ca 0.10 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.86 2nu1 h ALA 40 Cb 0.70 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2nu1 h ALA 40 CO 0.05 0.35 0.14 0.28 0.00 0.00 0.00 179.25 180.08 2nu1 h VAL 41 N 0.71 0.85 0.01 0.00 2.07 -0.92 0.68 116.25 119.64 2nu1 h VAL 41 Ca 0.16 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 2nu1 h VAL 41 Cb 0.31 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2nu1 h VAL 41 CO -0.00 0.05 -0.00 0.58 0.02 0.00 0.00 177.57 178.22 2nu1 h VAL 42 N 0.30 1.00 -0.33 2.57 2.07 -1.09 -1.64 116.25 119.13 2nu1 h VAL 42 Ca 0.20 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.75 2nu1 h VAL 42 Cb 0.21 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2nu1 h VAL 42 CO -0.22 0.01 0.23 -0.08 0.02 0.00 0.00 177.57 177.53 2nu1 h GLU 43 N -0.03 0.11 -0.05 1.57 4.81 -0.51 0.17 114.58 120.65 2nu1 h GLU 43 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2nu1 h GLU 43 Cb 0.03 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2nu1 h GLU 43 CO 0.00 0.07 0.00 -1.13 -0.73 0.00 0.00 179.01 177.22 2nu1 n SER 44 N -4.46 0.39 -2.97 1.04 3.41 0.19 -4.87 113.62 106.34 2nu1 n SER 44 Ca 0.04 -1.61 -0.22 0.00 -0.26 0.00 0.00 58.87 56.82 2nu1 n SER 44 Cb 0.33 -0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.28 2nu1 n SER 44 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2nu1 n ASN 45 N -0.47 -6.09 -0.03 4.04 5.15 0.61 -2.28 115.26 116.19 2nu1 n ASN 45 Ca 0.12 -0.27 -0.00 0.00 -0.60 0.00 0.00 54.58 53.83 2nu1 n ASN 45 Cb 0.11 -4.93 -0.00 0.00 -0.53 0.00 0.00 39.78 34.43 2nu1 n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2nu1 n GLY 46 N -1.48 0.46 0.11 8.20 0.00 -0.69 -4.95 105.19 106.84 2nu1 n GLY 46 Ca -0.12 -0.57 0.05 0.00 0.00 0.00 0.00 46.02 45.38 2nu1 n GLY 46 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2nu1 h THR 47 N 0.00 0.30 -3.48 2.61 1.35 -1.65 -3.46 112.91 108.58 2nu1 h THR 47 Ca -0.01 -1.57 -0.53 0.00 -0.55 0.00 0.00 66.41 63.75 2nu1 h THR 47 Cb 0.04 1.84 -0.03 0.00 -1.73 0.00 0.00 68.15 68.27 2nu1 h THR 47 CO 0.01 0.17 0.18 -0.22 -0.25 0.00 0.00 175.52 175.41 2nu1 s LEU 48 N -5.67 4.53 0.26 3.87 2.96 -1.26 -5.05 118.68 118.33 2nu1 s LEU 48 Ca -0.01 1.57 0.03 0.00 -0.22 0.00 0.00 54.13 55.49 2nu1 s LEU 48 Cb 0.09 -3.28 -0.05 0.00 0.50 0.00 0.00 46.19 43.45 2nu1 s LEU 48 CO 0.79 0.12 0.05 0.42 -1.32 0.00 0.00 176.35 176.42 2nu1 s THR 49 N -0.65 0.85 -0.12 3.68 -4.23 -1.26 -4.83 115.64 109.07 2nu1 s THR 49 Ca 0.37 -2.01 -0.27 0.00 -1.18 0.00 0.00 61.69 58.61 2nu1 s THR 49 Cb -0.22 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.04 2nu1 s THR 49 CO 0.25 -0.12 0.88 -0.22 -0.54 0.00 0.00 174.62 174.86 2nu1 s LEU 50 N -3.34 4.23 -0.17 4.79 2.96 -1.26 -0.05 118.68 125.84 2nu1 s LEU 50 Ca 0.34 1.32 -0.19 0.00 -0.22 0.00 0.00 54.13 55.38 2nu1 s LEU 50 Cb 0.07 -3.33 -0.16 0.00 0.50 0.00 0.00 46.19 43.27 2nu1 s LEU 50 CO 0.12 -0.36 0.26 -1.28 -1.32 0.00 0.00 176.35 173.77 2nu1 h SER 51 N 7.13 0.00 -5.23 3.68 0.87 -0.92 -3.45 113.55 115.63 2nu1 h SER 51 Ca -0.32 -0.48 0.21 0.00 -1.23 0.00 0.00 61.79 59.97 2nu1 h SER 51 Cb 1.15 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 63.00 2nu1 h SER 51 CO 0.82 1.12 0.60 -1.38 -0.53 0.00 0.00 176.83 177.46 2nu1 s HIS 52 N -2.21 -0.15 0.33 2.24 0.00 -1.05 -5.03 115.29 109.41 2nu1 s HIS 52 Ca -0.21 -0.06 -0.21 0.00 -3.00 0.00 0.00 55.06 51.59 2nu1 s HIS 52 Cb 0.02 0.59 -0.10 0.00 -4.00 0.00 0.00 32.58 29.10 2nu1 s HIS 52 CO 0.48 -0.59 0.84 -0.06 -1.00 0.00 0.00 174.74 174.42 2nu1 s PHE 53 N -2.97 3.51 0.00 0.38 0.08 -1.26 -0.61 117.98 117.11 2nu1 s PHE 53 Ca 0.11 1.51 0.00 0.00 0.12 0.00 0.00 56.93 58.67 2nu1 s PHE 53 Cb 0.00 -2.74 0.00 0.00 -0.57 0.00 0.00 43.02 39.71 2nu1 s PHE 53 CO -0.02 0.13 0.00 0.41 -0.10 0.00 0.00 175.22 175.64 2nu1 n GLY 54 N 0.08 -3.89 3.80 4.36 0.00 -0.23 -4.77 105.19 104.54 2nu1 n GLY 54 Ca 0.03 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 43.68 2nu1 n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nu1 s LYS 55 N -0.90 3.22 0.00 1.61 -2.85 -1.26 -2.01 119.74 117.55 2nu1 s LYS 55 Ca 0.00 1.21 0.19 0.00 -1.00 0.00 0.00 55.97 56.37 2nu1 s LYS 55 Cb 0.00 -2.02 1.11 0.00 -2.06 0.00 0.00 37.83 34.86 2nu1 s LYS 55 CO 0.00 -0.89 1.51 0.00 0.10 0.00 0.00 175.35 176.06