#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1omt n ALA 2 N 0.00 -0.03 -1.62 -1.18 0.00 -1.26 -4.86 120.51 111.56 1omt n ALA 2 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1omt n ALA 2 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 1omt n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1omt s ALA 3 N -3.33 2.57 -0.39 0.00 0.00 -1.26 -3.98 121.76 115.36 1omt s ALA 3 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 51.96 51.93 1omt s ALA 3 Cb 0.00 -3.13 0.44 0.00 0.00 0.00 0.00 23.12 20.43 1omt s ALA 3 CO 0.00 -1.36 1.27 1.33 0.00 0.00 0.00 175.76 177.00 1omt n VAL 4 N -3.20 2.62 0.00 0.00 0.24 -1.26 -4.69 118.33 112.04 1omt n VAL 4 Ca 0.07 -4.34 0.00 0.00 -2.04 0.00 0.00 64.34 58.03 1omt n VAL 4 Cb 0.55 -1.19 0.00 0.00 -1.47 0.00 0.00 33.84 31.73 1omt n VAL 4 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1omt n SER 5 N -0.65 0.00 -3.55 -1.34 7.64 -1.26 -5.03 113.62 109.43 1omt n SER 5 Ca 0.44 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 60.15 1omt n SER 5 Cb 0.82 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.95 1omt n SER 5 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1omt s VAL 6 N 0.00 0.00 -0.16 0.44 1.01 -1.26 -5.12 120.40 115.31 1omt s VAL 6 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1omt s VAL 6 Cb 0.00 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.42 1omt s VAL 6 CO 0.00 -0.01 -0.21 -0.62 0.00 0.00 0.00 175.10 174.25 1omt s ASP 7 N -0.95 3.11 -0.32 3.32 -1.08 -1.26 -4.78 116.67 114.71 1omt s ASP 7 Ca -0.09 -0.62 0.11 0.00 -0.52 0.00 0.00 52.55 51.42 1omt s ASP 7 Cb -0.01 -1.45 0.46 0.00 -1.46 0.00 0.00 42.92 40.46 1omt s ASP 7 CO 0.08 0.05 1.14 0.00 0.52 0.00 0.00 175.17 176.95 1omt n SER 9 N -0.58 2.22 0.00 0.00 2.88 -1.26 -3.89 113.62 112.99 1omt n SER 9 Ca 0.33 -2.02 0.00 0.00 -1.33 0.00 0.00 58.87 55.84 1omt n SER 9 Cb 0.86 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1omt n SER 9 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1omt n GLU 10 N 0.66 0.60 -2.53 -1.46 4.71 -1.26 -5.07 120.64 116.28 1omt n GLU 10 Ca 0.14 -0.64 -0.30 0.00 -0.01 0.00 0.00 57.16 56.35 1omt n GLU 10 Cb 0.36 -0.71 -0.02 0.00 -1.01 0.00 0.00 31.44 30.07 1omt n GLU 10 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1omt s TYR 11 N -0.25 3.52 0.40 -0.32 1.51 -1.25 -4.05 117.35 116.91 1omt s TYR 11 Ca 0.00 1.11 -0.25 0.00 -1.01 0.00 0.00 57.07 56.92 1omt s TYR 11 Cb 0.00 -2.52 -0.09 0.00 -0.11 0.00 0.00 41.96 39.24 1omt s TYR 11 CO 0.00 -0.30 1.11 -1.25 -1.11 0.00 0.00 175.55 174.00 1omt s PRO 12 N -4.36 4.10 0.16 -1.71 0.04 -1.26 -4.94 135.00 127.03 1omt s PRO 12 Ca 0.52 1.68 -0.10 0.00 0.04 0.00 0.00 61.00 63.15 1omt s PRO 12 Cb -0.10 -2.61 -0.06 0.00 0.04 0.00 0.00 34.50 31.76 1omt s PRO 12 CO 0.39 -0.24 0.48 0.21 0.04 0.00 0.00 177.00 177.88 1omt s LYS 13 N -2.39 3.79 0.00 4.56 2.20 -1.26 -4.96 119.74 121.69 1omt s LYS 13 Ca 0.57 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 56.41 1omt s LYS 13 Cb -0.27 -2.83 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 1omt s LYS 13 CO 0.33 0.44 0.71 -0.35 -0.36 0.00 0.00 175.35 176.13 1omt n PRO 14 N 0.37 0.87 -3.22 4.03 -0.04 -1.26 -4.56 135.00 131.19 1omt n PRO 14 Ca -0.03 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.47 1omt n PRO 14 Cb 0.52 -1.16 -0.02 0.00 -0.04 0.00 0.00 33.50 32.80 1omt n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1omt s ALA 15 N -1.64 -2.93 0.18 0.55 0.00 -1.26 -5.15 121.76 111.51 1omt s ALA 15 Ca 0.00 1.71 -0.17 0.00 0.00 0.00 0.00 51.96 53.49 1omt s ALA 15 Cb 0.00 -2.29 -0.08 0.00 0.00 0.00 0.00 23.12 20.75 1omt s ALA 15 CO 0.00 -1.30 0.64 0.00 0.00 0.00 0.00 175.76 175.10 1omt n THR 17 N 0.79 0.38 -0.08 0.00 -2.24 -1.26 -4.92 114.28 106.96 1omt n THR 17 Ca -0.04 -0.40 -0.09 0.00 -2.27 0.00 0.00 64.05 61.25 1omt n THR 17 Cb 0.51 -0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 68.33 1omt n THR 17 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1omt n LEU 18 N 1.39 1.07 0.00 3.22 4.32 -1.26 -4.95 117.00 120.79 1omt n LEU 18 Ca 0.04 -0.04 -0.20 0.00 -0.02 0.00 0.00 56.01 55.79 1omt n LEU 18 Cb 0.53 -0.00 0.19 0.00 -1.62 0.00 0.00 43.42 42.51 1omt n LEU 18 CO 0.52 0.52 0.27 -1.84 -1.22 0.00 0.00 177.39 175.63 1omt n GLU 19 N -2.71 -3.62 -4.85 3.23 0.00 -1.26 -4.99 120.64 106.44 1omt n GLU 19 Ca -0.27 -1.01 -0.33 0.00 0.00 0.00 0.00 57.16 55.56 1omt n GLU 19 Cb 0.92 -1.22 -0.15 0.00 0.00 0.00 0.00 31.44 30.99 1omt n GLU 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 1omt s TYR 20 N -1.85 2.75 -0.49 -1.84 5.04 -1.26 -4.93 117.35 114.77 1omt s TYR 20 Ca 0.45 -0.80 0.06 0.00 -2.44 0.00 0.00 57.07 54.34 1omt s TYR 20 Cb -0.07 -1.82 0.24 0.00 0.35 0.00 0.00 41.96 40.66 1omt s TYR 20 CO 0.37 -0.30 0.88 0.54 -1.34 0.00 0.00 175.55 175.70 1omt n ARG 21 N 3.60 0.76 -1.68 4.97 1.74 -1.21 -5.06 116.66 119.78 1omt n ARG 21 Ca -0.18 -1.76 -0.42 0.00 -0.77 0.00 0.00 57.85 54.71 1omt n ARG 21 Cb 0.53 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 1omt n ARG 21 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1omt s PRO 22 N 0.70 4.14 0.23 5.56 0.04 -0.60 -3.55 135.00 141.51 1omt s PRO 22 Ca 0.32 2.61 0.06 0.00 0.04 0.00 0.00 61.00 64.03 1omt s PRO 22 Cb 0.21 -3.97 -0.03 0.00 0.04 0.00 0.00 34.50 30.75 1omt s PRO 22 CO -0.23 -0.92 0.23 -0.51 0.04 0.00 0.00 177.00 175.61 1omt s LEU 23 N 3.88 3.97 -0.10 -3.56 1.02 -0.87 0.39 118.68 123.41 1omt s LEU 23 Ca 0.86 -0.12 0.02 0.00 0.02 0.00 0.00 54.13 54.91 1omt s LEU 23 Cb -0.44 -2.52 -0.01 0.00 0.02 0.00 0.00 46.19 43.24 1omt s LEU 23 CO 0.40 -0.02 -0.18 0.00 0.02 0.00 0.00 176.35 176.57 1omt s GLY 25 N 0.13 1.51 0.33 0.00 0.00 -1.07 -1.35 107.32 106.88 1omt s GLY 25 Ca -0.09 -0.56 0.04 0.00 0.00 0.00 0.00 44.72 44.11 1omt s GLY 25 CO 0.06 -0.38 1.85 1.48 0.00 0.00 0.00 173.10 176.11 1omt h SER 26 N 0.18 0.48 0.09 1.64 4.64 -1.15 -0.93 113.55 118.50 1omt h SER 26 Ca -0.47 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 1omt h SER 26 Cb 1.21 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1omt h SER 26 CO 0.61 0.58 0.00 -0.90 -0.87 0.00 0.00 176.83 176.25 1omt n ASP 27 N -4.26 0.22 0.00 4.97 5.68 -1.26 -4.78 116.55 117.12 1omt n ASP 27 Ca 0.01 0.60 0.00 0.00 -0.50 0.00 0.00 54.79 54.90 1omt n ASP 27 Cb 0.27 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.62 1omt n ASP 27 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1omt n ASN 28 N -1.79 -1.76 -4.44 -1.12 3.02 -0.35 -5.05 115.26 103.77 1omt n ASN 28 Ca -0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.19 1omt n ASN 28 Cb 0.04 -0.29 -0.13 0.00 -0.61 0.00 0.00 39.78 38.79 1omt n ASN 28 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1omt s LYS 29 N -1.05 3.62 0.06 3.52 -2.85 -1.26 -4.91 119.74 116.87 1omt s LYS 29 Ca 0.00 -0.51 -0.29 0.00 -1.00 0.00 0.00 55.97 54.17 1omt s LYS 29 Cb 0.00 -3.18 -0.05 0.00 -2.06 0.00 0.00 37.83 32.54 1omt s LYS 29 CO 0.00 -0.09 0.94 0.99 0.10 0.00 0.00 175.35 177.29 1omt s THR 30 N 1.30 4.66 -0.07 3.79 2.01 -1.26 -2.60 115.64 123.47 1omt s THR 30 Ca 0.04 2.00 -0.09 0.00 0.31 0.00 0.00 61.69 63.96 1omt s THR 30 Cb -0.15 -4.29 -0.05 0.00 0.01 0.00 0.00 72.50 68.03 1omt s THR 30 CO 0.02 0.27 0.23 -0.72 -0.69 0.00 0.00 174.62 173.73 1omt s TYR 31 N 0.35 3.63 0.30 4.92 -0.85 -0.42 -4.97 117.35 120.30 1omt s TYR 31 Ca 0.47 0.64 0.05 0.00 -0.52 0.00 0.00 57.07 57.72 1omt s TYR 31 Cb -0.22 -2.03 0.74 0.00 0.38 0.00 0.00 41.96 40.83 1omt s TYR 31 CO 0.28 0.69 1.73 0.78 -1.52 0.00 0.00 175.55 177.51 1omt h GLY 32 N 4.70 1.65 0.00 5.49 0.00 -1.86 -2.30 103.07 110.75 1omt h GLY 32 Ca -0.53 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1omt h GLY 32 CO 0.61 -0.19 0.00 1.16 0.00 0.00 0.00 176.54 178.12 1omt n ASN 33 N -4.93 0.00 -0.17 0.19 0.23 -1.25 -1.56 115.26 107.78 1omt n ASN 33 Ca 0.23 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 54.23 1omt n ASN 33 Cb 0.63 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.37 1omt n ASN 33 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1omt h LYS 34 N 0.00 0.52 0.43 -3.83 5.09 -1.89 0.20 116.57 117.09 1omt h LYS 34 Ca 0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 60.65 60.69 1omt h LYS 34 Cb 0.00 -0.12 0.00 0.00 0.10 0.00 0.00 32.23 32.22 1omt h LYS 34 CO 0.00 0.34 -0.21 0.00 -2.09 0.00 0.00 179.45 177.50 1omt h ASN 36 N -1.00 0.00 0.00 0.00 -0.26 -1.89 -1.38 115.58 111.05 1omt h ASN 36 Ca -0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.68 1omt h ASN 36 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 1omt h ASN 36 CO 0.10 0.00 -0.10 0.15 -1.06 0.00 0.00 177.43 176.52 1omt h PHE 37 N 0.00 0.00 -0.55 1.19 3.57 -0.04 -3.27 116.94 117.84 1omt h PHE 37 Ca 0.11 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.72 1omt h PHE 37 Cb 1.21 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.84 1omt h PHE 37 CO 0.00 0.00 -0.21 0.00 -2.23 0.00 0.00 178.31 175.87 1omt h ASN 39 N -0.08 0.42 -0.37 0.00 2.35 -1.46 0.99 115.58 117.43 1omt h ASN 39 Ca 0.26 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 1omt h ASN 39 Cb 0.47 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1omt h ASN 39 CO -0.60 0.06 0.25 0.00 -1.65 0.00 0.00 177.43 175.48 1omt h ALA 40 N 1.62 0.47 0.37 -0.83 0.00 0.14 0.22 119.26 121.25 1omt h ALA 40 Ca 0.62 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.48 1omt h ALA 40 Cb 1.62 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1omt h ALA 40 CO -0.30 -0.06 -0.18 0.28 0.00 0.00 0.00 179.25 178.99 1omt h VAL 41 N 0.50 0.00 0.00 0.00 2.07 0.16 -1.29 116.25 117.70 1omt h VAL 41 Ca 0.14 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1omt h VAL 41 Cb -0.05 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.72 1omt h VAL 41 CO -0.03 0.00 0.05 1.62 0.02 0.00 0.00 177.57 179.23 1omt h VAL 42 N -0.62 0.00 0.00 2.57 3.04 -1.04 0.19 116.25 120.39 1omt h VAL 42 Ca -0.05 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 1omt h VAL 42 Cb 0.38 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 1omt h VAL 42 CO 0.08 0.00 -1.09 1.21 -1.01 0.00 0.00 177.57 176.76 1omt n GLU 43 N -2.98 0.39 -0.77 4.17 0.00 0.76 -3.90 120.64 118.30 1omt n GLU 43 Ca -0.03 0.01 0.07 0.00 0.00 0.00 0.00 57.16 57.21 1omt n GLU 43 Cb 0.11 -1.64 0.37 0.00 0.00 0.00 0.00 31.44 30.28 1omt n GLU 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1omt n SER 44 N -2.15 5.19 0.00 4.31 3.41 -0.17 -4.86 113.62 119.35 1omt n SER 44 Ca 0.01 -2.74 0.00 0.00 -0.26 0.00 0.00 58.87 55.88 1omt n SER 44 Cb 0.47 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1omt n SER 44 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1omt n ASN 45 N 0.74 -1.76 -0.02 4.04 5.15 -1.14 -2.33 115.26 119.95 1omt n ASN 45 Ca 0.26 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 54.23 1omt n ASN 45 Cb 1.06 -0.98 -0.00 0.00 -0.53 0.00 0.00 39.78 39.33 1omt n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1omt n GLY 46 N -1.96 0.40 0.30 8.20 0.00 0.49 -4.90 105.19 107.71 1omt n GLY 46 Ca 0.00 -1.09 0.14 0.00 0.00 0.00 0.00 46.02 45.07 1omt n GLY 46 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1omt n THR 47 N -3.00 0.00 -2.79 2.61 5.66 -0.98 -4.86 114.28 110.92 1omt n THR 47 Ca -0.00 -0.15 -0.26 0.00 -3.05 0.00 0.00 64.05 60.59 1omt n THR 47 Cb 0.01 0.22 0.01 0.00 -1.55 0.00 0.00 70.33 69.02 1omt n THR 47 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1omt s LEU 48 N -2.18 3.62 -0.12 1.09 2.96 -1.26 -4.99 118.68 117.80 1omt s LEU 48 Ca 0.35 0.68 -0.06 0.00 -0.22 0.00 0.00 54.13 54.88 1omt s LEU 48 Cb 0.21 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 43.36 1omt s LEU 48 CO 0.40 -0.65 0.29 0.42 -1.32 0.00 0.00 176.35 175.49 1omt s THR 49 N -2.68 -0.04 0.35 3.68 -4.23 -1.26 -4.77 115.64 106.69 1omt s THR 49 Ca 0.47 0.13 -0.28 0.00 -1.18 0.00 0.00 61.69 60.84 1omt s THR 49 Cb -0.10 -0.44 -0.10 0.00 1.34 0.00 0.00 72.50 73.20 1omt s THR 49 CO 0.42 0.05 1.24 -0.22 -0.54 0.00 0.00 174.62 175.57 1omt s LEU 50 N 1.28 4.38 -0.01 4.79 2.96 -1.26 -0.54 118.68 130.28 1omt s LEU 50 Ca -0.09 2.54 0.08 0.00 -0.22 0.00 0.00 54.13 56.43 1omt s LEU 50 Cb -0.10 -3.75 -0.11 0.00 0.50 0.00 0.00 46.19 42.73 1omt s LEU 50 CO -0.09 -0.53 0.20 -0.24 -1.32 0.00 0.00 176.35 174.36 1omt n SER 51 N 0.64 2.65 0.00 3.68 2.88 -0.45 -4.23 113.62 118.79 1omt n SER 51 Ca 0.01 -0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 1omt n SER 51 Cb 0.43 1.28 0.00 0.00 -0.75 0.00 0.00 64.21 65.17 1omt n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1omt n HIS 52 N -1.64 0.00 -1.14 0.66 1.44 -1.26 -5.01 115.22 108.28 1omt n HIS 52 Ca -0.01 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.40 1omt n HIS 52 Cb 0.18 0.00 0.23 0.00 0.12 0.00 0.00 29.99 30.52 1omt n HIS 52 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1omt s PHE 53 N -2.00 0.75 0.03 -1.40 0.40 -1.26 -1.71 117.98 112.79 1omt s PHE 53 Ca 0.00 0.55 0.00 0.00 -0.60 0.00 0.00 56.93 56.88 1omt s PHE 53 Cb 0.00 -3.46 0.00 0.00 0.51 0.00 0.00 43.02 40.07 1omt s PHE 53 CO 0.00 -3.70 0.00 0.41 0.70 0.00 0.00 175.22 172.63 1omt n GLY 54 N -1.11 -1.69 3.91 4.36 0.00 1.26 -4.60 105.19 107.32 1omt n GLY 54 Ca 0.12 -1.26 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 1omt n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1omt s LYS 55 N -0.32 3.61 0.00 1.61 -2.85 -1.21 -3.06 119.74 117.51 1omt s LYS 55 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 55.97 54.97 1omt s LYS 55 Cb 0.00 -2.60 0.00 0.00 -2.06 0.00 0.00 37.83 33.17 1omt s LYS 55 CO 0.00 0.14 0.45 0.00 0.10 0.00 0.00 175.35 176.04