#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 2.50 0.25 2.89 -0.02 -1.26 -4.88 135.00 134.48 1y62 n PRO 4 Ca 0.00 0.89 0.16 0.00 -2.02 0.00 0.00 63.50 62.53 1y62 n PRO 4 Cb 0.00 -2.62 0.88 0.00 -0.02 0.00 0.00 33.50 31.73 1y62 n PRO 4 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1y62 h SER 5 N 4.35 0.00 0.47 2.55 4.64 -2.03 -1.27 113.55 122.26 1y62 h SER 5 Ca -0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1y62 h SER 5 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1y62 h SER 5 CO 0.76 0.00 -0.06 0.17 -0.87 0.00 0.00 176.83 176.83 1y62 h LEU 6 N 0.00 0.00 -0.19 5.97 8.10 -1.95 -2.11 115.31 125.13 1y62 h LEU 6 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1y62 h LEU 6 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.29 1y62 h LEU 6 CO 0.00 0.06 0.00 0.00 -4.11 0.00 0.00 178.44 174.39 1y62 n ASP 8 N -1.77 0.72 -4.76 0.00 10.43 -0.79 -4.25 116.55 116.12 1y62 n ASP 8 Ca 0.04 -0.56 -0.37 0.00 2.57 0.00 0.00 54.79 56.48 1y62 n ASP 8 Cb 0.24 0.66 0.01 0.00 1.84 0.00 0.00 41.12 43.87 1y62 n ASP 8 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1y62 s LEU 9 N -3.15 3.85 0.47 0.64 1.43 -1.07 -4.95 118.68 115.89 1y62 s LEU 9 Ca 0.08 2.38 -0.12 0.00 -1.03 0.00 0.00 54.13 55.45 1y62 s LEU 9 Cb 0.16 -4.40 -0.06 0.00 0.03 0.00 0.00 46.19 41.92 1y62 s LEU 9 CO 0.79 -1.26 0.86 -2.16 0.23 0.00 0.00 176.35 174.81 1y62 s PRO 10 N -3.01 3.79 0.27 1.29 0.04 -1.26 -4.90 135.00 131.21 1y62 s PRO 10 Ca 0.70 0.61 -0.31 0.00 0.04 0.00 0.00 61.00 62.05 1y62 s PRO 10 Cb -0.30 -2.28 -0.12 0.00 0.04 0.00 0.00 34.50 31.84 1y62 s PRO 10 CO 0.35 -0.18 1.58 0.00 0.04 0.00 0.00 177.00 178.79 1y62 n ALA 11 N -1.63 2.28 -3.74 8.56 0.00 -1.26 -4.85 120.51 119.86 1y62 n ALA 11 Ca 0.04 0.39 -0.27 0.00 0.00 0.00 0.00 53.44 53.59 1y62 n ALA 11 Cb 0.54 -2.43 -0.17 0.00 0.00 0.00 0.00 19.45 17.39 1y62 n ALA 11 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1y62 s ASP 12 N 0.57 2.73 0.57 0.00 -1.08 -1.26 -5.02 116.67 113.18 1y62 s ASP 12 Ca 0.67 -0.72 0.32 0.00 -0.52 0.00 0.00 52.55 52.30 1y62 s ASP 12 Cb -0.53 -0.57 1.74 0.00 -1.46 0.00 0.00 42.92 42.10 1y62 s ASP 12 CO 0.46 -0.29 2.17 0.28 0.52 0.00 0.00 175.17 178.31 1y62 h SER 13 N 8.26 0.00 -4.40 -0.34 0.02 -1.94 -3.41 113.55 111.73 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 0.05 0.00 0.61 -1.14 0.00 0.00 176.83 176.68 1y62 n GLY 14 N -0.86 -2.57 0.08 -3.77 0.00 -1.26 -0.99 105.19 95.81 1y62 n GLY 14 Ca -0.02 -1.73 -0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.04 0.43 -3.07 1.61 3.41 -0.86 -4.86 113.62 110.24 1y62 n SER 15 Ca 0.00 0.19 -0.03 0.00 -0.26 0.00 0.00 58.87 58.76 1y62 n SER 15 Cb 0.00 0.80 0.03 0.00 -0.26 0.00 0.00 64.21 64.79 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 1.46 -2.52 0.00 5.00 0.00 -1.21 -4.98 105.19 102.94 1y62 n GLY 16 Ca -0.15 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.05 0.55 -2.79 2.61 -2.24 -1.07 -4.84 114.28 103.46 1y62 n THR 17 Ca 0.02 -0.59 -0.28 0.00 -2.27 0.00 0.00 64.05 60.93 1y62 n THR 17 Cb 0.07 0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 69.06 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 -0.55 3.60 -0.76 -0.78 1.02 0.69 -5.04 119.74 117.91 1y62 s LYS 18 Ca 0.00 0.20 -0.05 0.00 0.02 0.00 0.00 55.97 56.15 1y62 s LYS 18 Cb 0.00 -2.42 0.19 0.00 -0.52 0.00 0.00 37.83 35.08 1y62 s LYS 18 CO 0.00 -0.11 0.63 0.00 -0.92 0.00 0.00 175.35 174.94 1y62 s ALA 19 N -2.58 3.92 0.45 5.17 0.00 -1.26 -3.98 121.76 123.47 1y62 s ALA 19 Ca 0.47 -3.48 0.04 0.00 0.00 0.00 0.00 51.96 48.99 1y62 s ALA 19 Cb -0.10 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 1y62 s ALA 19 CO 0.40 -2.16 0.02 -1.21 0.00 0.00 0.00 175.76 172.81 1y62 s GLU 20 N -0.47 2.05 -0.02 0.00 2.02 -0.51 -5.01 118.70 116.75 1y62 s GLU 20 Ca 0.21 -2.24 0.05 0.00 0.02 0.00 0.00 54.97 53.01 1y62 s GLU 20 Cb -0.14 -1.46 -0.01 0.00 0.10 0.00 0.00 34.13 32.61 1y62 s GLU 20 CO -0.07 -0.23 -0.16 0.15 0.02 0.00 0.00 175.26 174.97 1y62 s LYS 21 N -3.80 1.37 0.32 1.61 -0.14 -1.26 -1.33 119.74 116.51 1y62 s LYS 21 Ca 0.21 -0.56 0.04 0.00 -1.36 0.00 0.00 55.97 54.30 1y62 s LYS 21 Cb 0.06 -1.29 -0.03 0.00 -1.68 0.00 0.00 37.83 34.88 1y62 s LYS 21 CO 0.11 0.30 0.18 1.03 -0.76 0.00 0.00 175.35 176.21 1y62 s ARG 22 N -0.24 1.64 -0.07 1.68 1.81 0.08 -4.87 118.95 118.99 1y62 s ARG 22 Ca 0.03 -1.95 0.05 0.00 -1.72 0.00 0.00 55.73 52.14 1y62 s ARG 22 Cb -0.08 -0.05 -0.02 0.00 -0.45 0.00 0.00 34.95 34.36 1y62 s ARG 22 CO 0.00 -0.49 -0.20 0.42 -0.68 0.00 0.00 175.30 174.34 1y62 s ILE 23 N -3.56 2.46 0.02 1.52 -1.09 0.80 -0.96 121.20 120.39 1y62 s ILE 23 Ca 0.36 -0.92 0.02 0.00 -2.23 0.00 0.00 60.65 57.87 1y62 s ILE 23 Cb 0.04 -1.94 -0.02 0.00 -1.58 0.00 0.00 42.46 38.97 1y62 s ILE 23 CO 0.19 0.57 -0.06 -0.72 -1.23 0.00 0.00 174.94 173.69 1y62 s TYR 24 N -0.23 0.51 -0.32 3.97 -0.85 -0.33 -0.30 117.35 119.80 1y62 s TYR 24 Ca -0.01 -0.35 -0.25 0.00 -0.52 0.00 0.00 57.07 55.94 1y62 s TYR 24 Cb -0.13 -0.32 0.01 0.00 0.38 0.00 0.00 41.96 41.90 1y62 s TYR 24 CO 0.03 -0.07 0.89 -0.47 -1.52 0.00 0.00 175.55 174.41 1y62 s TYR 25 N -0.92 3.17 -0.63 -3.49 5.04 -1.26 -1.44 117.35 117.81 1y62 s TYR 25 Ca -0.06 0.92 -0.22 0.00 -2.44 0.00 0.00 57.07 55.26 1y62 s TYR 25 Cb -0.07 -3.40 0.07 0.00 0.35 0.00 0.00 41.96 38.91 1y62 s TYR 25 CO 0.00 -0.65 0.90 1.21 -1.34 0.00 0.00 175.55 175.67 1y62 s ASN 26 N 1.65 6.19 0.53 4.32 3.84 -0.57 -4.75 114.94 126.15 1y62 s ASN 26 Ca 0.37 -1.01 0.25 0.00 0.21 0.00 0.00 52.86 52.68 1y62 s ASN 26 Cb -0.13 -2.39 1.48 0.00 -0.55 0.00 0.00 41.25 39.65 1y62 s ASN 26 CO 0.14 -1.35 2.12 0.77 -2.79 0.00 0.00 177.10 175.99 1y62 h SER 27 N 9.46 0.00 0.07 -4.21 4.64 -1.85 0.08 113.55 121.74 1y62 h SER 27 Ca -0.29 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1y62 h SER 27 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1y62 h SER 27 CO 1.15 0.09 -0.04 0.00 -0.87 0.00 0.00 176.83 177.17 1y62 h ALA 28 N 1.91 -0.10 -0.00 5.18 0.00 -1.95 -3.09 119.26 121.21 1y62 h ALA 28 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1y62 h ALA 28 Cb 0.22 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1y62 h ALA 28 CO 0.01 -0.34 -0.09 0.54 0.00 0.00 0.00 179.25 179.37 1y62 n ARG 29 N -4.94 0.57 -3.71 0.00 1.74 -1.11 -4.93 116.66 104.28 1y62 n ARG 29 Ca -0.08 -0.15 -0.26 0.00 -0.77 0.00 0.00 57.85 56.59 1y62 n ARG 29 Cb 0.23 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.24 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 -1.09 -6.94 -3.66 5.56 5.02 -0.01 -4.99 118.16 112.06 1y62 n LYS 30 Ca 0.14 0.74 -0.14 0.00 -2.02 0.00 0.00 58.31 57.02 1y62 n LYS 30 Cb 0.27 -5.72 -0.07 0.00 -0.02 0.00 0.00 35.03 29.49 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 -6.37 0.87 -0.41 1.97 -2.07 -1.07 -5.02 119.66 107.56 1y62 s GLN 31 Ca 0.57 -0.13 -0.26 0.00 -1.82 0.00 0.00 55.36 53.72 1y62 s GLN 31 Cb -0.27 0.40 0.02 0.00 -1.09 0.00 0.00 33.01 32.07 1y62 s GLN 31 CO 0.77 -0.27 0.94 0.00 -1.32 0.00 0.00 175.29 175.41 1y62 s LEU 33 N 3.66 3.03 0.26 0.00 1.43 -0.52 -4.90 118.68 121.64 1y62 s LEU 33 Ca 0.38 -1.05 -0.15 0.00 -1.03 0.00 0.00 54.13 52.28 1y62 s LEU 33 Cb -0.11 -1.35 -0.08 0.00 0.03 0.00 0.00 46.19 44.68 1y62 s LEU 33 CO 0.23 -0.37 0.68 -0.60 0.23 0.00 0.00 176.35 176.52 1y62 s ARG 34 N -3.79 4.04 0.04 1.70 3.52 -1.26 -1.19 118.95 122.02 1y62 s ARG 34 Ca 0.37 0.64 -0.22 0.00 -0.13 0.00 0.00 55.73 56.39 1y62 s ARG 34 Cb 0.02 -2.64 0.05 0.00 -1.56 0.00 0.00 34.95 30.82 1y62 s ARG 34 CO 0.20 0.28 0.52 -0.59 -0.81 0.00 0.00 175.30 174.90 1y62 s PHE 35 N -1.77 -0.42 -0.01 5.12 -0.12 -0.14 -4.92 117.98 115.72 1y62 s PHE 35 Ca 0.48 0.48 -0.30 0.00 -0.05 0.00 0.00 56.93 57.54 1y62 s PHE 35 Cb -0.13 0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 1y62 s PHE 35 CO 0.19 -0.64 1.09 -0.51 -0.05 0.00 0.00 175.22 175.30 1y62 s ASP 36 N -1.95 7.21 0.07 1.98 1.01 -1.26 -0.74 116.67 122.98 1y62 s ASP 36 Ca -0.05 1.78 0.08 0.00 0.71 0.00 0.00 52.55 55.06 1y62 s ASP 36 Cb -0.01 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 1y62 s ASP 36 CO -0.01 -0.41 -0.22 -0.47 0.21 0.00 0.00 175.17 174.26 1y62 s TYR 37 N 1.39 1.93 -1.92 4.23 5.04 -0.44 -4.14 117.35 123.44 1y62 s TYR 37 Ca 0.54 -0.39 0.25 0.00 -2.44 0.00 0.00 57.07 55.03 1y62 s TYR 37 Cb -0.24 -1.12 0.41 0.00 0.35 0.00 0.00 41.96 41.37 1y62 s TYR 37 CO 0.26 0.15 1.35 0.25 -1.34 0.00 0.00 175.55 176.22 1y62 n THR 38 N 1.54 0.00 0.00 4.34 -2.24 -0.16 -1.43 114.28 116.33 1y62 n THR 38 Ca -0.18 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1y62 n THR 38 Cb 0.53 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 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 1.37 0.47 3.23 3.38 0.00 -1.26 -0.22 105.19 112.16 1y62 n GLY 39 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 1y62 n GLY 39 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1y62 s GLN 40 N -0.96 0.76 3.31 1.61 -0.21 -1.26 -4.94 119.66 117.97 1y62 s GLN 40 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 54.91 1y62 s GLN 40 Cb 0.00 0.33 0.00 0.00 1.00 0.00 0.00 33.01 34.34 1y62 s GLN 40 CO 0.00 -0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.35 1y62 n GLY 41 N 0.74 -0.07 7.00 3.09 0.00 -1.26 -2.02 105.19 112.67 1y62 n GLY 41 Ca -0.19 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.87 3.57 -0.02 0.00 -1.26 -4.83 105.19 101.77 1y62 n GLY 42 Ca 0.00 -1.18 -0.27 0.00 0.00 0.00 0.00 46.02 44.56 1y62 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y62 s ASN 43 N -4.00 3.09 0.52 1.61 2.20 -1.26 -5.00 114.94 112.10 1y62 s ASN 43 Ca 0.00 -1.72 0.35 0.00 -0.94 0.00 0.00 52.86 50.55 1y62 s ASN 43 Cb 0.00 0.59 1.75 0.00 -2.00 0.00 0.00 41.25 41.59 1y62 s ASN 43 CO 0.00 -0.97 2.06 -0.33 -2.94 0.00 0.00 177.10 174.92 1y62 h GLU 44 N 1.66 0.00 -3.46 3.55 4.39 -1.93 -3.31 114.58 115.48 1y62 h GLU 44 Ca -0.36 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 58.66 1y62 h GLU 44 Cb 1.28 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1y62 h GLU 44 CO 0.58 0.00 3.52 -1.71 -1.16 0.00 0.00 179.01 180.23 1y62 n ASN 45 N -2.83 6.51 -3.57 1.42 5.15 -1.25 -4.75 115.26 115.93 1y62 n ASN 45 Ca -0.01 -2.69 -0.18 0.00 -0.60 0.00 0.00 54.58 51.11 1y62 n ASN 45 Cb 0.14 -1.59 -0.14 0.00 -0.53 0.00 0.00 39.78 37.66 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 2.67 1.10 0.04 1.20 3.84 -1.25 -4.42 114.94 118.12 1y62 s ASN 46 Ca 0.59 0.03 0.05 0.00 0.21 0.00 0.00 52.86 53.75 1y62 s ASN 46 Cb 0.16 0.36 -0.02 0.00 -0.55 0.00 0.00 41.25 41.20 1y62 s ASN 46 CO -0.07 -0.29 -0.15 -0.36 -2.79 0.00 0.00 177.10 173.44 1y62 s PHE 47 N 2.32 1.33 -0.04 0.43 0.40 0.59 -4.95 117.98 118.06 1y62 s PHE 47 Ca 0.05 -0.35 0.12 0.00 -0.60 0.00 0.00 56.93 56.15 1y62 s PHE 47 Cb -0.14 -0.79 -0.11 0.00 0.51 0.00 0.00 43.02 42.49 1y62 s PHE 47 CO -0.10 0.04 1.18 0.00 0.70 0.00 0.00 175.22 177.05 1y62 h ARG 48 N 4.96 0.00 -5.73 0.44 3.08 -1.93 0.23 114.38 115.43 1y62 h ARG 48 Ca -0.39 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.00 1y62 h ARG 48 Cb 1.18 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.91 1y62 h ARG 48 CO 0.44 0.65 -0.87 1.03 -1.07 0.00 0.00 179.97 180.14 1y62 s ARG 49 N -2.81 2.46 0.26 0.04 0.52 -1.26 -4.78 118.95 113.37 1y62 s ARG 49 Ca 0.01 -0.83 -0.04 0.00 -0.52 0.00 0.00 55.73 54.35 1y62 s ARG 49 Cb 0.09 -2.05 0.37 0.00 0.52 0.00 0.00 34.95 33.87 1y62 s ARG 49 CO 0.79 0.31 1.88 1.15 0.02 0.00 0.00 175.30 179.46 1y62 h THR 50 N 5.23 1.10 -0.78 0.02 2.02 -1.96 -2.53 112.91 116.00 1y62 h THR 50 Ca -0.30 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 1y62 h THR 50 Cb 1.19 -0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1y62 h THR 50 CO 0.47 0.21 0.46 0.22 0.37 0.00 0.00 175.52 177.26 1y62 h TYR 51 N 1.15 1.03 -0.33 3.16 3.20 -1.99 -0.25 116.97 122.95 1y62 h TYR 51 Ca 0.41 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.20 1y62 h TYR 51 Cb 0.13 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 1y62 h TYR 51 CO -0.01 0.69 -0.12 -0.44 -1.64 0.00 0.00 178.16 176.65 1y62 h ASP 52 N 1.08 0.54 -0.46 -2.11 3.32 -1.89 -0.32 116.42 116.58 1y62 h ASP 52 Ca 0.28 -0.14 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 1y62 h ASP 52 Cb -0.03 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1y62 h ASP 52 CO -0.05 0.69 -0.20 0.00 -1.72 0.00 0.00 179.24 177.96 1y62 h GLN 54 N 0.80 0.18 0.00 0.00 4.20 -0.53 0.25 115.11 120.00 1y62 h GLN 54 Ca 0.11 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1y62 h GLN 54 Cb 0.77 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1y62 h GLN 54 CO 0.06 0.47 0.00 0.07 -0.67 0.00 0.00 178.83 178.76 1y62 h ARG 55 N -0.14 0.00 0.07 1.46 0.11 -1.11 0.70 114.38 115.47 1y62 h ARG 55 Ca 0.02 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.75 1y62 h ARG 55 Cb 0.40 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.45 1y62 h ARG 55 CO 0.01 0.00 -2.00 2.41 0.10 0.00 0.00 179.97 180.48 1y62 n THR 56 N -2.72 1.66 -0.04 0.08 -1.04 -0.96 -4.80 114.28 106.46 1y62 n THR 56 Ca 0.01 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.05 61.47 1y62 n THR 56 Cb 0.24 -1.74 -0.07 0.00 -1.82 0.00 0.00 70.33 66.94 1y62 n THR 56 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43