#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d49 s THR 2 N 0.00 1.36 -0.30 0.00 2.01 -1.26 -5.08 115.64 112.37 2d49 s THR 2 Ca 0.00 -0.55 -0.18 0.00 0.31 0.00 0.00 61.69 61.28 2d49 s THR 2 Cb 0.00 -1.27 0.19 0.00 0.01 0.00 0.00 72.50 71.43 2d49 s THR 2 CO 0.00 0.42 1.23 0.00 -0.69 0.00 0.00 174.62 175.58 2d49 s ALA 4 N 1.74 2.40 0.21 0.00 0.00 -1.26 -4.93 121.76 119.90 2d49 s ALA 4 Ca -0.03 0.62 -0.32 0.00 0.00 0.00 0.00 51.96 52.23 2d49 s ALA 4 Cb -0.02 -3.35 -0.12 0.00 0.00 0.00 0.00 23.12 19.63 2d49 s ALA 4 CO -0.14 -1.39 1.70 2.41 0.00 0.00 0.00 175.76 178.33 2d49 n THR 5 N -2.46 0.05 -1.53 0.00 -1.04 -1.26 -2.92 114.28 105.12 2d49 n THR 5 Ca 0.11 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.69 2d49 n THR 5 Cb 0.52 -1.93 0.01 0.00 -1.82 0.00 0.00 70.33 67.10 2d49 n THR 5 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2d49 n ALA 6 N 3.82 -0.77 -1.54 2.41 0.00 -1.26 -1.93 120.51 121.24 2d49 n ALA 6 Ca 0.16 0.21 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 2d49 n ALA 6 Cb 0.34 -1.91 0.02 0.00 0.00 0.00 0.00 19.45 17.90 2d49 n ALA 6 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 2d49 n TRP 7 N -0.65 0.39 -3.67 0.00 -0.00 -0.86 -4.68 117.44 107.97 2d49 n TRP 7 Ca 0.11 0.54 -0.25 0.00 -0.00 0.00 0.00 57.50 57.90 2d49 n TRP 7 Cb 0.39 -2.11 -0.17 0.00 -0.00 0.00 0.00 31.31 29.42 2d49 n TRP 7 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 2d49 s SER 8 N -0.92 2.26 0.42 5.87 0.01 -1.26 -4.99 113.70 115.08 2d49 s SER 8 Ca 0.66 -0.52 0.29 0.00 1.31 0.00 0.00 55.95 57.68 2d49 s SER 8 Cb -0.54 -0.35 1.45 0.00 0.21 0.00 0.00 66.02 66.79 2d49 s SER 8 CO 0.56 -0.31 1.88 0.77 0.41 0.00 0.00 173.24 176.54 2d49 h SER 9 N 8.36 0.00 -0.69 2.44 4.64 -1.94 -1.47 113.55 124.89 2d49 h SER 9 Ca -0.15 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.88 2d49 h SER 9 Cb 1.14 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.06 2d49 h SER 9 CO 0.28 0.00 0.36 -1.54 -0.87 0.00 0.00 176.83 175.06 2d49 n SER 10 N -2.54 3.95 -3.19 4.97 3.41 -1.26 -4.44 113.62 114.52 2d49 n SER 10 Ca -0.01 -3.11 0.01 0.00 -0.26 0.00 0.00 58.87 55.51 2d49 n SER 10 Cb 0.12 -0.73 -0.02 0.00 -0.26 0.00 0.00 64.21 63.31 2d49 n SER 10 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2d49 s SER 11 N -0.75 -1.04 0.21 4.04 0.01 -0.55 -5.14 113.70 110.47 2d49 s SER 11 Ca 0.44 0.58 -0.30 0.00 1.31 0.00 0.00 55.95 57.98 2d49 s SER 11 Cb 0.36 1.90 -0.09 0.00 0.21 0.00 0.00 66.02 68.40 2d49 s SER 11 CO 0.10 -0.28 1.42 0.54 0.41 0.00 0.00 173.24 175.43 2d49 s VAL 12 N 2.78 2.88 0.39 3.43 0.11 -1.26 -4.73 120.40 124.01 2d49 s VAL 12 Ca 0.17 0.71 0.08 0.00 -2.93 0.00 0.00 61.98 60.00 2d49 s VAL 12 Cb -0.14 -3.45 -0.02 0.00 -1.53 0.00 0.00 36.38 31.23 2d49 s VAL 12 CO -0.21 0.09 0.34 -0.31 -3.33 0.00 0.00 175.10 171.68 2d49 s TYR 13 N 0.34 2.76 0.09 1.54 2.02 -0.77 -4.97 117.35 118.35 2d49 s TYR 13 Ca 0.61 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.87 2d49 s TYR 13 Cb -0.40 -2.05 0.00 0.00 -0.40 0.00 0.00 41.96 39.11 2d49 s TYR 13 CO 0.38 -0.02 0.11 0.25 -1.57 0.00 0.00 175.55 174.71 2d49 n THR 14 N -1.48 0.00 -1.60 -0.71 -2.24 -1.26 -0.35 114.28 106.64 2d49 n THR 14 Ca 0.02 -0.47 -0.49 0.00 -2.27 0.00 0.00 64.05 60.84 2d49 n THR 14 Cb 0.61 0.28 -0.05 0.00 -2.10 0.00 0.00 70.33 69.07 2d49 n THR 14 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2d49 n ASN 15 N -2.14 2.95 0.00 3.42 2.85 -1.23 -0.58 115.26 120.53 2d49 n ASN 15 Ca 0.00 0.69 0.00 0.00 -0.11 0.00 0.00 54.58 55.16 2d49 n ASN 15 Cb 0.15 -1.35 0.00 0.00 1.24 0.00 0.00 39.78 39.81 2d49 n ASN 15 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2d49 n GLY 16 N 5.26 2.11 3.47 8.20 0.00 -1.15 -4.91 105.19 118.17 2d49 n GLY 16 Ca 0.30 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.83 2d49 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d49 n GLY 17 N -0.17 0.51 3.87 -0.02 0.00 0.25 -4.77 105.19 104.86 2d49 n GLY 17 Ca 0.00 0.91 -0.36 0.00 0.00 0.00 0.00 46.02 46.56 2d49 n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d49 s THR 18 N 7.73 5.33 0.32 2.61 2.01 -1.26 -2.27 115.64 130.12 2d49 s THR 18 Ca 1.09 0.34 -0.00 0.00 0.31 0.00 0.00 61.69 63.42 2d49 s THR 18 Cb -0.77 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.21 2d49 s THR 18 CO 0.46 0.53 0.42 1.33 -0.69 0.00 0.00 174.62 176.67 2d49 n VAL 19 N 1.66 0.00 -4.26 3.82 0.24 0.48 -4.17 118.33 116.10 2d49 n VAL 19 Ca -0.16 -1.75 -0.21 0.00 -2.04 0.00 0.00 64.34 60.18 2d49 n VAL 19 Cb 0.54 1.03 -0.12 0.00 -1.47 0.00 0.00 33.84 33.82 2d49 n VAL 19 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2d49 s SER 20 N -3.03 2.25 -0.30 -1.34 0.15 -0.81 -0.42 113.70 110.20 2d49 s SER 20 Ca 0.29 -0.74 -0.24 0.00 0.70 0.00 0.00 55.95 55.95 2d49 s SER 20 Cb -0.00 -0.11 0.18 0.00 -1.71 0.00 0.00 66.02 64.38 2d49 s SER 20 CO 0.20 -0.04 1.37 -0.47 1.20 0.00 0.00 173.24 175.51 2d49 s TYR 21 N -1.62 -0.12 -1.93 3.44 5.04 0.46 -2.03 117.35 120.59 2d49 s TYR 21 Ca 0.07 0.28 0.00 0.00 -2.44 0.00 0.00 57.07 54.99 2d49 s TYR 21 Cb -0.08 0.44 0.00 0.00 0.35 0.00 0.00 41.96 42.67 2d49 s TYR 21 CO 0.04 -0.06 0.00 0.09 -1.34 0.00 0.00 175.55 174.28 2d49 n ASN 22 N 1.78 -5.29 0.00 4.32 4.13 -1.26 -0.91 115.26 118.04 2d49 n ASN 22 Ca -0.11 0.39 0.00 0.00 1.68 0.00 0.00 54.58 56.54 2d49 n ASN 22 Cb 0.57 -4.43 0.00 0.00 -1.54 0.00 0.00 39.78 34.38 2d49 n ASN 22 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2d49 n GLY 23 N -0.72 0.81 1.83 7.41 0.00 -1.26 -5.03 105.19 108.23 2d49 n GLY 23 Ca -0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 2d49 n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d49 n ARG 24 N -2.17 1.35 -4.78 1.61 3.00 -0.08 -0.42 116.66 115.17 2d49 n ARG 24 Ca 0.00 -1.83 -0.30 0.00 -0.01 0.00 0.00 57.85 55.71 2d49 n ARG 24 Cb 0.00 0.45 -0.17 0.00 0.00 0.00 0.00 32.46 32.74 2d49 n ARG 24 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2d49 s ASN 25 N -2.42 2.67 0.03 0.55 0.01 -0.92 -0.40 114.94 114.45 2d49 s ASN 25 Ca 0.02 -0.48 0.04 0.00 -0.71 0.00 0.00 52.86 51.73 2d49 s ASN 25 Cb -0.00 -1.22 -0.04 0.00 0.41 0.00 0.00 41.25 40.40 2d49 s ASN 25 CO 0.01 0.08 -0.05 -0.31 -1.51 0.00 0.00 177.10 175.32 2d49 s TYR 26 N 0.67 2.90 -0.09 2.20 2.02 0.44 -0.11 117.35 125.40 2d49 s TYR 26 Ca -0.12 -0.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 2d49 s TYR 26 Cb -0.16 -1.58 0.02 0.00 -0.40 0.00 0.00 41.96 39.84 2d49 s TYR 26 CO 0.03 0.41 -0.07 0.95 -1.57 0.00 0.00 175.55 175.29 2d49 s THR 27 N -1.08 0.90 0.84 -0.71 -4.23 0.59 -0.39 115.64 111.55 2d49 s THR 27 Ca 0.19 -0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.34 2d49 s THR 27 Cb -0.11 -0.92 0.09 0.00 1.34 0.00 0.00 72.50 72.90 2d49 s THR 27 CO 0.10 0.33 1.09 0.00 -0.54 0.00 0.00 174.62 175.61 2d49 s ALA 28 N 1.46 1.94 -0.04 3.99 0.00 -0.96 -2.39 121.76 125.76 2d49 s ALA 28 Ca -0.01 -0.06 0.11 0.00 0.00 0.00 0.00 51.96 52.00 2d49 s ALA 28 Cb -0.13 -3.17 -0.17 0.00 0.00 0.00 0.00 23.12 19.65 2d49 s ALA 28 CO -0.05 -2.00 0.19 1.63 0.00 0.00 0.00 175.76 175.54 2d49 n LYS 29 N -3.64 0.87 -2.72 0.00 4.76 -1.11 -2.92 118.16 113.40 2d49 n LYS 29 Ca 0.07 -0.08 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 2d49 n LYS 29 Cb 0.55 -1.27 0.02 0.00 -1.84 0.00 0.00 35.03 32.48 2d49 n LYS 29 CO 0.00 0.00 0.00 -2.67 -1.37 0.00 0.00 177.40 173.36 2d49 n TRP 30 N -2.03 -1.48 -1.66 2.13 2.14 -1.26 -4.06 117.44 111.22 2d49 n TRP 30 Ca -0.06 -0.94 -0.51 0.00 2.07 0.00 0.00 57.50 58.05 2d49 n TRP 30 Cb 0.45 0.47 -0.06 0.00 -0.81 0.00 0.00 31.31 31.36 2d49 n TRP 30 CO 0.00 0.00 0.00 1.87 2.07 0.00 0.00 177.69 181.63 2d49 n TRP 31 N -0.36 2.00 -3.77 -2.67 -0.00 -1.26 -3.57 117.44 107.81 2d49 n TRP 31 Ca -0.04 0.39 -0.13 0.00 -0.00 0.00 0.00 57.50 57.73 2d49 n TRP 31 Cb 0.35 -2.48 -0.13 0.00 -0.00 0.00 0.00 31.31 29.05 2d49 n TRP 31 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 2d49 s THR 32 N 2.18 -0.02 0.55 5.87 -1.32 0.52 -4.95 115.64 118.49 2d49 s THR 32 Ca 0.89 0.07 -0.03 0.00 -1.21 0.00 0.00 61.69 61.40 2d49 s THR 32 Cb -0.87 -0.31 0.12 0.00 -1.51 0.00 0.00 72.50 69.92 2d49 s THR 32 CO 0.51 0.03 0.76 0.00 -2.21 0.00 0.00 174.62 173.71 2d49 n GLN 33 N 3.51 -0.17 -1.48 7.08 1.13 -1.26 -1.85 117.38 124.34 2d49 n GLN 33 Ca -0.18 -1.77 -0.44 0.00 -1.94 0.00 0.00 57.00 52.67 2d49 n GLN 33 Cb 0.56 -0.60 -0.09 0.00 0.11 0.00 0.00 30.24 30.23 2d49 n GLN 33 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 2d49 n ASN 34 N -3.12 1.51 -3.85 1.08 6.94 -1.26 -4.85 115.26 111.71 2d49 n ASN 34 Ca 0.12 0.08 -0.12 0.00 -0.02 0.00 0.00 54.58 54.64 2d49 n ASN 34 Cb 0.41 -1.23 -0.12 0.00 -2.36 0.00 0.00 39.78 36.48 2d49 n ASN 34 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2d49 s GLU 35 N 7.72 0.25 -0.17 -3.83 2.02 -1.26 -5.07 118.70 118.37 2d49 s GLU 35 Ca 1.15 -0.05 -0.29 0.00 0.02 0.00 0.00 54.97 55.81 2d49 s GLU 35 Cb -0.82 0.11 -0.05 0.00 0.10 0.00 0.00 34.13 33.47 2d49 s GLU 35 CO 0.43 -0.05 2.04 1.03 0.02 0.00 0.00 175.26 178.74 2d49 s ARG 36 N -0.46 3.46 0.44 1.61 3.00 -1.26 -4.95 118.95 120.79 2d49 s ARG 36 Ca -0.05 2.04 -0.24 0.00 0.00 0.00 0.00 55.73 57.48 2d49 s ARG 36 Cb -0.04 -4.27 -0.08 0.00 0.00 0.00 0.00 34.95 30.57 2d49 s ARG 36 CO 0.00 -1.72 1.17 -1.25 0.00 0.00 0.00 175.30 173.50 2d49 s PRO 37 N 5.65 3.85 0.00 3.54 0.04 -1.26 -3.20 135.00 143.62 2d49 s PRO 37 Ca 0.92 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.77 2d49 s PRO 37 Cb -0.33 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.71 2d49 s PRO 37 CO 0.36 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.32 2d49 n GLY 38 N 0.51 3.29 0.04 0.56 0.00 -1.26 -4.76 105.19 103.56 2d49 n GLY 38 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2d49 n GLY 38 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2d49 n THR 39 N -1.93 0.53 -3.81 2.61 -1.04 -1.19 -4.98 114.28 104.46 2d49 n THR 39 Ca 0.00 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.16 2d49 n THR 39 Cb 0.00 -0.25 -0.05 0.00 -1.82 0.00 0.00 70.33 68.20 2d49 n THR 39 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2d49 s SER 40 N -4.33 6.45 0.51 8.00 0.15 -1.21 -4.97 113.70 118.30 2d49 s SER 40 Ca -0.07 0.50 0.35 0.00 0.70 0.00 0.00 55.95 57.43 2d49 s SER 40 Cb 0.07 -2.07 1.76 0.00 -1.71 0.00 0.00 66.02 64.08 2d49 s SER 40 CO 0.63 0.29 2.05 0.44 1.20 0.00 0.00 173.24 177.85 2d49 h ASP 41 N 4.18 0.00 -0.61 5.45 3.32 -1.94 -2.22 116.42 124.59 2d49 h ASP 41 Ca -0.51 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.48 2d49 h ASP 41 Cb 1.20 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 2d49 h ASP 41 CO 0.65 0.00 0.14 1.62 -1.72 0.00 0.00 179.24 179.93 2d49 h VAL 42 N 0.00 1.25 -3.29 -1.35 3.04 -1.96 -3.42 116.25 110.53 2d49 h VAL 42 Ca 0.00 -0.94 -0.60 0.00 -1.01 0.00 0.00 66.70 64.14 2d49 h VAL 42 Cb 0.13 0.61 -0.12 0.00 -2.01 0.00 0.00 31.29 29.90 2d49 h VAL 42 CO 0.00 0.36 -0.49 0.26 -1.01 0.00 0.00 177.57 176.68 2d49 s TRP 43 N -5.24 3.40 -0.03 3.17 0.52 -0.84 -2.74 118.94 117.18 2d49 s TRP 43 Ca -0.11 0.31 0.03 0.00 0.02 0.00 0.00 56.10 56.35 2d49 s TRP 43 Cb 0.15 -2.16 0.00 0.00 -1.15 0.00 0.00 33.47 30.31 2d49 s TRP 43 CO 0.83 0.27 -0.11 0.00 0.02 0.00 0.00 176.95 177.96 2d49 s ALA 44 N 0.40 1.04 0.01 0.98 0.00 -1.00 -4.40 121.76 118.79 2d49 s ALA 44 Ca 0.08 -0.40 -0.30 0.00 0.00 0.00 0.00 51.96 51.33 2d49 s ALA 44 Cb -0.11 -0.39 -0.08 0.00 0.00 0.00 0.00 23.12 22.54 2d49 s ALA 44 CO -0.02 0.16 1.81 0.34 0.00 0.00 0.00 175.76 178.06 2d49 s ASP 45 N 0.24 6.54 -0.18 0.00 -1.08 -1.26 -0.30 116.67 120.63 2d49 s ASP 45 Ca -0.05 2.50 0.17 0.00 -0.52 0.00 0.00 52.55 54.65 2d49 s ASP 45 Cb -0.10 -2.54 0.52 0.00 -1.46 0.00 0.00 42.92 39.34 2d49 s ASP 45 CO 0.01 -0.99 1.40 1.17 0.52 0.00 0.00 175.17 177.29 2d49 n LYS 46 N 7.07 2.82 -1.33 4.34 3.00 0.85 -4.91 118.16 130.00 2d49 n LYS 46 Ca 0.18 -2.83 0.00 0.00 -0.00 0.00 0.00 58.31 55.67 2d49 n LYS 46 Cb 0.41 -1.82 0.00 0.00 0.00 0.00 0.00 35.03 33.62 2d49 n LYS 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2d49 n GLY 47 N -0.56 0.47 3.51 3.14 0.00 -1.23 -4.96 105.19 105.55 2d49 n GLY 47 Ca 0.21 -1.63 -0.24 0.00 0.00 0.00 0.00 46.02 44.36 2d49 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d49 s ALA 48 N -1.00 2.83 -0.16 4.61 0.00 -1.26 -2.17 121.76 124.61 2d49 s ALA 48 Ca 0.00 -1.77 -0.05 0.00 0.00 0.00 0.00 51.96 50.14 2d49 s ALA 48 Cb 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 2d49 s ALA 48 CO 0.00 0.31 -0.00 0.00 0.00 0.00 0.00 175.76 176.07 2d49 s GLY 50 N 0.31 2.58 0.07 0.00 0.00 -1.03 -4.68 107.32 104.57 2d49 s GLY 50 Ca -0.01 -3.29 0.01 0.00 0.00 0.00 0.00 44.72 41.43 2d49 s GLY 50 CO 0.02 1.18 -0.06 -1.08 0.00 0.00 0.00 173.10 173.16 2d49 s THR 51 N 0.05 0.50 -0.12 0.90 -1.32 -1.26 -4.47 115.64 109.93 2d49 s THR 51 Ca 0.17 -1.65 -0.04 0.00 -1.21 0.00 0.00 61.69 58.97 2d49 s THR 51 Cb -0.16 -1.31 -0.03 0.00 -1.51 0.00 0.00 72.50 69.49 2d49 s THR 51 CO -0.06 -0.77 0.02 -0.83 -2.21 0.00 0.00 174.62 170.76 2d49 s GLY 52 N -2.59 1.87 0.00 6.08 0.00 -1.26 -5.16 107.32 106.26 2d49 s GLY 52 Ca 0.04 -0.78 0.31 0.00 0.00 0.00 0.00 44.72 44.28 2d49 s GLY 52 CO -0.05 -0.37 2.08 -1.26 0.00 0.00 0.00 173.10 173.51