#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y62 n PRO 4 N 0.00 1.56 0.06 5.56 -0.02 -1.26 -4.87 135.00 136.04 1y62 n PRO 4 Ca 0.00 0.56 0.17 0.00 -2.02 0.00 0.00 63.50 62.21 1y62 n PRO 4 Cb 0.00 -2.18 0.68 0.00 -0.02 0.00 0.00 33.50 31.99 1y62 n PRO 4 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1y62 h SER 5 N 1.74 0.00 -0.31 2.55 0.02 -2.01 -1.59 113.55 113.95 1y62 h SER 5 Ca -0.46 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.53 1y62 h SER 5 Cb 1.32 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.85 1y62 h SER 5 CO 0.58 0.00 0.21 0.17 -1.14 0.00 0.00 176.83 176.65 1y62 h LEU 6 N 0.00 0.24 -2.26 5.07 8.10 -1.93 -1.20 115.31 123.33 1y62 h LEU 6 Ca 0.19 -0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.17 1y62 h LEU 6 Cb 0.77 -0.06 -0.00 0.00 -0.44 0.00 0.00 40.66 40.94 1y62 h LEU 6 CO -0.00 0.17 -0.05 0.00 -4.11 0.00 0.00 178.44 174.44 1y62 n ASP 8 N -3.53 1.97 -4.82 0.00 8.00 -0.45 -4.56 116.55 113.17 1y62 n ASP 8 Ca -0.02 -1.52 -0.34 0.00 0.71 0.00 0.00 54.79 53.62 1y62 n ASP 8 Cb 0.17 0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.37 1y62 n ASP 8 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1y62 s LEU 9 N -2.25 4.11 0.72 0.64 1.43 -0.72 -5.05 118.68 117.57 1y62 s LEU 9 Ca 0.27 1.62 -0.11 0.00 -1.03 0.00 0.00 54.13 54.88 1y62 s LEU 9 Cb 0.19 -4.21 0.02 0.00 0.03 0.00 0.00 46.19 42.23 1y62 s LEU 9 CO 0.43 -0.21 1.07 -2.16 0.23 0.00 0.00 176.35 175.71 1y62 s PRO 10 N -2.72 2.70 0.24 1.29 0.04 -1.26 -4.90 135.00 130.39 1y62 s PRO 10 Ca 0.55 1.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 1y62 s PRO 10 Cb -0.12 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 1y62 s PRO 10 CO 0.17 -1.28 1.33 0.00 0.04 0.00 0.00 177.00 177.26 1y62 s ALA 11 N -3.00 3.54 -0.17 8.56 0.00 -1.26 -4.88 121.76 124.55 1y62 s ALA 11 Ca 0.59 1.18 -0.02 0.00 0.00 0.00 0.00 51.96 53.71 1y62 s ALA 11 Cb -0.15 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.53 1y62 s ALA 11 CO 0.55 -0.59 0.02 0.34 0.00 0.00 0.00 175.76 176.08 1y62 s ASP 12 N 0.14 2.67 0.64 0.00 -1.08 -1.26 -5.00 116.67 112.78 1y62 s ASP 12 Ca 0.55 -0.68 0.40 0.00 -0.52 0.00 0.00 52.55 52.31 1y62 s ASP 12 Cb -0.38 -0.59 2.20 0.00 -1.46 0.00 0.00 42.92 42.69 1y62 s ASP 12 CO 0.42 -0.28 2.31 0.28 0.52 0.00 0.00 175.17 178.43 1y62 h SER 13 N 8.25 0.00 -4.40 -0.34 0.02 -1.96 -3.42 113.55 111.70 1y62 h SER 13 Ca -0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1y62 h SER 13 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1y62 h SER 13 CO 0.33 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.63 1y62 n GLY 14 N -1.03 -1.89 0.24 -3.77 0.00 -1.26 0.08 105.19 97.56 1y62 n GLY 14 Ca -0.03 -1.74 0.09 0.00 0.00 0.00 0.00 46.02 44.35 1y62 n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y62 n SER 15 N 0.50 2.45 -2.21 1.61 3.41 0.07 -4.85 113.62 114.59 1y62 n SER 15 Ca 0.00 -3.19 -0.02 0.00 -0.26 0.00 0.00 58.87 55.40 1y62 n SER 15 Cb 0.00 -0.46 0.01 0.00 -0.26 0.00 0.00 64.21 63.50 1y62 n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y62 n GLY 16 N -1.30 0.75 0.15 5.00 0.00 -1.24 -4.94 105.19 103.62 1y62 n GLY 16 Ca 0.17 -1.96 0.04 0.00 0.00 0.00 0.00 46.02 44.28 1y62 n GLY 16 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1y62 n THR 17 N -1.51 0.00 -1.98 2.61 -2.24 -1.21 -4.88 114.28 105.07 1y62 n THR 17 Ca 0.01 -0.38 -0.29 0.00 -2.27 0.00 0.00 64.05 61.13 1y62 n THR 17 Cb 0.05 1.08 0.06 0.00 -2.10 0.00 0.00 70.33 69.42 1y62 n THR 17 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1y62 s LYS 18 N -1.40 2.45 -0.49 -0.78 1.02 -0.81 -5.05 119.74 114.68 1y62 s LYS 18 Ca 0.06 0.20 0.03 0.00 0.02 0.00 0.00 55.97 56.28 1y62 s LYS 18 Cb 0.07 -2.04 0.14 0.00 -0.52 0.00 0.00 37.83 35.48 1y62 s LYS 18 CO 0.25 -1.24 0.28 0.00 -0.92 0.00 0.00 175.35 173.72 1y62 s ALA 19 N -3.39 2.55 0.37 5.17 0.00 -1.26 -4.12 121.76 121.08 1y62 s ALA 19 Ca 0.59 -2.88 0.08 0.00 0.00 0.00 0.00 51.96 49.75 1y62 s ALA 19 Cb -0.11 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 1y62 s ALA 19 CO 0.49 -2.05 0.18 -1.21 0.00 0.00 0.00 175.76 173.17 1y62 s GLU 20 N -0.02 2.34 -0.10 0.00 2.02 -0.48 -5.01 118.70 117.46 1y62 s GLU 20 Ca 0.19 -1.64 0.01 0.00 0.02 0.00 0.00 54.97 53.55 1y62 s GLU 20 Cb -0.21 -2.13 -0.02 0.00 0.10 0.00 0.00 34.13 31.87 1y62 s GLU 20 CO -0.03 0.00 -0.14 0.15 0.02 0.00 0.00 175.26 175.26 1y62 s LYS 21 N -3.89 3.04 0.21 1.61 -0.14 -1.26 -2.24 119.74 117.05 1y62 s LYS 21 Ca 0.40 -0.70 -0.01 0.00 -1.36 0.00 0.00 55.97 54.30 1y62 s LYS 21 Cb -0.01 -2.52 -0.04 0.00 -1.68 0.00 0.00 37.83 33.58 1y62 s LYS 21 CO 0.23 0.37 0.13 1.03 -0.76 0.00 0.00 175.35 176.35 1y62 s ARG 22 N -0.06 1.23 0.04 1.68 1.81 -0.68 -4.91 118.95 118.07 1y62 s ARG 22 Ca -0.03 -1.65 0.07 0.00 -1.72 0.00 0.00 55.73 52.40 1y62 s ARG 22 Cb -0.14 0.22 -0.03 0.00 -0.45 0.00 0.00 34.95 34.55 1y62 s ARG 22 CO 0.04 -0.39 -0.16 0.42 -0.68 0.00 0.00 175.30 174.53 1y62 s ILE 23 N -4.11 2.94 0.04 1.52 -1.09 0.25 -0.56 121.20 120.18 1y62 s ILE 23 Ca 0.39 -1.14 -0.08 0.00 -2.23 0.00 0.00 60.65 57.59 1y62 s ILE 23 Cb 0.07 -2.25 -0.00 0.00 -1.58 0.00 0.00 42.46 38.69 1y62 s ILE 23 CO 0.12 0.33 0.15 -0.72 -1.23 0.00 0.00 174.94 173.60 1y62 s TYR 24 N -0.96 0.11 -0.19 3.97 -0.85 0.31 0.09 117.35 119.84 1y62 s TYR 24 Ca 0.15 -0.36 -0.21 0.00 -0.52 0.00 0.00 57.07 56.14 1y62 s TYR 24 Cb -0.11 -0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.13 1y62 s TYR 24 CO 0.06 -0.40 0.62 -0.47 -1.52 0.00 0.00 175.55 173.84 1y62 s TYR 25 N -2.54 3.39 -0.51 -3.49 5.04 -1.26 -0.71 117.35 117.28 1y62 s TYR 25 Ca -0.05 0.93 -0.17 0.00 -2.44 0.00 0.00 57.07 55.33 1y62 s TYR 25 Cb -0.01 -2.78 0.08 0.00 0.35 0.00 0.00 41.96 39.60 1y62 s TYR 25 CO -0.04 -0.14 0.50 1.21 -1.34 0.00 0.00 175.55 175.74 1y62 s ASN 26 N 1.16 6.18 0.38 4.32 3.84 -0.83 -4.90 114.94 125.08 1y62 s ASN 26 Ca 0.29 -1.34 0.28 0.00 0.21 0.00 0.00 52.86 52.30 1y62 s ASN 26 Cb -0.16 -2.23 1.19 0.00 -0.55 0.00 0.00 41.25 39.50 1y62 s ASN 26 CO 0.11 -0.79 1.83 0.77 -2.79 0.00 0.00 177.10 176.22 1y62 h SER 27 N 8.88 0.00 0.00 -4.21 4.64 -1.87 0.47 113.55 121.47 1y62 h SER 27 Ca -0.29 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.97 1y62 h SER 27 Cb 1.10 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1y62 h SER 27 CO 0.95 0.00 -0.24 0.00 -0.87 0.00 0.00 176.83 176.67 1y62 h ALA 28 N 2.15 0.03 0.00 5.18 0.00 -1.96 -3.30 119.26 121.37 1y62 h ALA 28 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1y62 h ALA 28 Cb 0.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1y62 h ALA 28 CO 0.00 0.08 -0.46 0.54 0.00 0.00 0.00 179.25 179.41 1y62 n ARG 29 N -4.51 0.15 -3.67 0.00 1.74 -1.14 -4.97 116.66 104.27 1y62 n ARG 29 Ca -0.10 0.06 -0.22 0.00 -0.77 0.00 0.00 57.85 56.82 1y62 n ARG 29 Cb 0.50 -1.61 0.05 0.00 -1.02 0.00 0.00 32.46 30.38 1y62 n ARG 29 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1y62 n LYS 30 N -1.84 -5.52 -3.72 5.56 5.02 0.16 -5.00 118.16 112.82 1y62 n LYS 30 Ca 0.05 0.67 -0.13 0.00 -2.02 0.00 0.00 58.31 56.88 1y62 n LYS 30 Cb 0.39 -5.40 -0.10 0.00 -0.02 0.00 0.00 35.03 29.91 1y62 n LYS 30 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1y62 s GLN 31 N -5.97 0.54 -0.31 1.97 -2.07 -1.06 -5.00 119.66 107.76 1y62 s GLN 31 Ca 0.13 0.54 -0.29 0.00 -1.82 0.00 0.00 55.36 53.93 1y62 s GLN 31 Cb -0.06 0.26 0.01 0.00 -1.09 0.00 0.00 33.01 32.12 1y62 s GLN 31 CO 0.79 -0.08 1.26 0.00 -1.32 0.00 0.00 175.29 175.95 1y62 s LEU 33 N 4.28 3.00 0.15 0.00 1.43 0.12 -4.89 118.68 122.77 1y62 s LEU 33 Ca 0.54 -1.10 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 1y62 s LEU 33 Cb -0.15 -1.29 -0.07 0.00 0.03 0.00 0.00 46.19 44.71 1y62 s LEU 33 CO 0.22 -0.39 0.52 -0.60 0.23 0.00 0.00 176.35 176.34 1y62 s ARG 34 N -3.78 3.90 0.20 1.70 3.52 -1.26 -0.53 118.95 122.71 1y62 s ARG 34 Ca 0.37 0.38 -0.12 0.00 -0.13 0.00 0.00 55.73 56.23 1y62 s ARG 34 Cb 0.03 -2.89 0.00 0.00 -1.56 0.00 0.00 34.95 30.53 1y62 s ARG 34 CO 0.20 0.47 0.41 -0.59 -0.81 0.00 0.00 175.30 174.98 1y62 s PHE 35 N -1.51 0.28 -0.22 5.12 -0.12 0.27 -4.93 117.98 116.86 1y62 s PHE 35 Ca 0.38 -0.63 -0.23 0.00 -0.05 0.00 0.00 56.93 56.40 1y62 s PHE 35 Cb -0.14 0.13 -0.01 0.00 -0.63 0.00 0.00 43.02 42.37 1y62 s PHE 35 CO 0.19 -0.87 0.76 -0.51 -0.05 0.00 0.00 175.22 174.75 1y62 s ASP 36 N -2.97 6.78 -0.04 1.98 1.01 -1.26 -1.68 116.67 120.49 1y62 s ASP 36 Ca 0.18 0.96 0.06 0.00 0.71 0.00 0.00 52.55 54.46 1y62 s ASP 36 Cb 0.01 -2.41 -0.01 0.00 1.01 0.00 0.00 42.92 41.52 1y62 s ASP 36 CO 0.03 -0.43 -0.23 -0.47 0.21 0.00 0.00 175.17 174.28 1y62 s TYR 37 N 2.51 2.16 -2.15 4.23 5.04 -0.95 -4.18 117.35 124.01 1y62 s TYR 37 Ca 0.33 -0.56 0.18 0.00 -2.44 0.00 0.00 57.07 54.58 1y62 s TYR 37 Cb -0.16 -1.42 0.77 0.00 0.35 0.00 0.00 41.96 41.50 1y62 s TYR 37 CO 0.09 -0.14 1.53 0.25 -1.34 0.00 0.00 175.55 175.94 1y62 n THR 38 N 2.83 0.17 -0.96 4.34 -2.24 0.11 -1.38 114.28 117.15 1y62 n THR 38 Ca -0.17 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1y62 n THR 38 Cb 0.52 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1y62 n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y62 n GLY 39 N 0.99 0.57 3.53 3.38 0.00 -1.26 -1.93 105.19 110.47 1y62 n GLY 39 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 1y62 n GLY 39 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1y62 s GLN 40 N -0.04 0.93 3.26 1.61 0.74 -1.26 -4.92 119.66 119.98 1y62 s GLN 40 Ca 0.00 0.51 0.00 0.00 0.05 0.00 0.00 55.36 55.92 1y62 s GLN 40 Cb 0.00 0.44 0.00 0.00 1.10 0.00 0.00 33.01 34.55 1y62 s GLN 40 CO 0.00 -0.23 0.00 0.41 -0.55 0.00 0.00 175.29 174.92 1y62 n GLY 41 N 1.66 -0.03 7.00 2.59 0.00 -1.26 -0.75 105.19 114.39 1y62 n GLY 41 Ca -0.17 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1y62 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y62 n GLY 42 N 0.00 -0.59 2.40 -0.02 0.00 -1.26 -4.79 105.19 100.93 1y62 n GLY 42 Ca 0.00 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 1y62 n GLY 42 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1y62 n ASN 43 N 0.36 -0.56 0.03 1.61 0.23 -1.26 -5.01 115.26 110.66 1y62 n ASN 43 Ca 0.00 -2.63 0.09 0.00 -0.53 0.00 0.00 54.58 51.51 1y62 n ASN 43 Cb 0.00 1.29 0.40 0.00 -2.08 0.00 0.00 39.78 39.39 1y62 n ASN 43 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1y62 n GLU 44 N -0.47 0.05 -1.94 -3.83 -0.58 -1.26 -3.92 120.64 108.70 1y62 n GLU 44 Ca 0.06 0.24 -0.42 0.00 -0.42 0.00 0.00 57.16 56.62 1y62 n GLU 44 Cb 0.45 -1.59 -0.00 0.00 -0.57 0.00 0.00 31.44 29.73 1y62 n GLU 44 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1y62 n ASN 45 N -1.69 5.26 -3.34 1.62 5.15 -1.26 -4.70 115.26 116.31 1y62 n ASN 45 Ca 0.04 -2.94 -0.03 0.00 -0.60 0.00 0.00 54.58 51.05 1y62 n ASN 45 Cb 0.22 -1.55 -0.05 0.00 -0.53 0.00 0.00 39.78 37.87 1y62 n ASN 45 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1y62 s ASN 46 N 1.92 -0.60 0.09 1.20 3.84 -1.25 -4.52 114.94 115.62 1y62 s ASN 46 Ca 0.47 0.71 0.08 0.00 0.21 0.00 0.00 52.86 54.34 1y62 s ASN 46 Cb 0.13 1.68 -0.03 0.00 -0.55 0.00 0.00 41.25 42.48 1y62 s ASN 46 CO -0.05 -0.27 -0.22 -0.36 -2.79 0.00 0.00 177.10 173.41 1y62 s PHE 47 N 2.71 1.87 0.02 0.43 0.40 0.11 -4.94 117.98 118.59 1y62 s PHE 47 Ca 0.12 -0.40 0.10 0.00 -0.60 0.00 0.00 56.93 56.15 1y62 s PHE 47 Cb -0.15 -1.05 -0.16 0.00 0.51 0.00 0.00 43.02 42.18 1y62 s PHE 47 CO -0.18 0.19 1.17 0.00 0.70 0.00 0.00 175.22 177.10 1y62 h ARG 48 N 4.29 0.00 -5.63 0.44 3.08 -1.93 0.74 114.38 115.37 1y62 h ARG 48 Ca -0.46 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 58.92 1y62 h ARG 48 Cb 1.17 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.90 1y62 h ARG 48 CO 0.41 0.77 -0.88 1.03 -1.07 0.00 0.00 179.97 180.23 1y62 s ARG 49 N -2.75 2.74 0.29 0.04 0.52 -1.26 -4.79 118.95 113.74 1y62 s ARG 49 Ca 0.00 -0.87 0.03 0.00 -0.52 0.00 0.00 55.73 54.37 1y62 s ARG 49 Cb 0.09 -2.19 0.64 0.00 0.52 0.00 0.00 34.95 34.01 1y62 s ARG 49 CO 0.81 0.27 1.80 1.15 0.02 0.00 0.00 175.30 179.35 1y62 h THR 50 N 5.40 0.80 0.00 0.02 2.02 -1.98 -1.67 112.91 117.51 1y62 h THR 50 Ca -0.26 -0.29 -0.08 0.00 0.77 0.00 0.00 66.41 66.55 1y62 h THR 50 Cb 1.21 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1y62 h THR 50 CO 0.47 0.16 -0.38 0.22 0.37 0.00 0.00 175.52 176.35 1y62 h TYR 51 N 0.85 0.00 -0.47 3.16 3.20 -1.99 -2.26 116.97 119.46 1y62 h TYR 51 Ca 0.53 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.30 1y62 h TYR 51 Cb 0.70 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 1y62 h TYR 51 CO -0.01 0.38 -0.13 -0.44 -1.64 0.00 0.00 178.16 176.31 1y62 h ASP 52 N 0.00 0.89 -0.44 -2.11 3.32 -1.73 -2.25 116.42 114.11 1y62 h ASP 52 Ca -0.00 -0.29 -0.11 0.00 0.02 0.00 0.00 57.03 56.64 1y62 h ASP 52 Cb 0.68 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1y62 h ASP 52 CO 0.05 1.03 -0.15 0.00 -1.72 0.00 0.00 179.24 178.45 1y62 h GLN 54 N 0.71 1.06 0.00 0.00 4.20 -1.21 -0.44 115.11 119.42 1y62 h GLN 54 Ca 0.11 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1y62 h GLN 54 Cb 0.71 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1y62 h GLN 54 CO 0.05 0.94 -0.17 2.89 -0.67 0.00 0.00 178.83 181.87 1y62 n ARG 55 N -4.23 0.19 0.07 1.46 1.85 -0.86 -0.99 116.66 114.14 1y62 n ARG 55 Ca 0.05 0.12 -0.23 0.00 -1.00 0.00 0.00 57.85 56.79 1y62 n ARG 55 Cb 0.26 -1.69 -0.15 0.00 -1.05 0.00 0.00 32.46 29.83 1y62 n ARG 55 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 1y62 h THR 56 N 0.00 0.90 -0.00 8.89 2.02 -1.22 -3.40 112.91 120.09 1y62 h THR 56 Ca 0.00 -2.49 0.00 0.00 0.77 0.00 0.00 66.41 64.69 1y62 h THR 56 Cb 0.67 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.81 1y62 h THR 56 CO 0.00 0.87 -0.48 0.00 0.37 0.00 0.00 175.52 176.27