#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 1.43 -0.30 0.00 2.01 -1.26 -5.06 115.64 112.46 2d49 s THR 2 Ca 0.00 -0.67 -0.18 0.00 0.31 0.00 0.00 61.69 61.16 2d49 s THR 2 Cb 0.00 -1.26 0.19 0.00 0.01 0.00 0.00 72.50 71.44 2d49 s THR 2 CO 0.00 0.42 1.21 0.00 -0.69 0.00 0.00 174.62 175.56 2d49 s ALA 4 N 1.80 2.39 0.20 0.00 0.00 -1.26 -4.93 121.76 119.95 2d49 s ALA 4 Ca -0.03 0.65 -0.32 0.00 0.00 0.00 0.00 51.96 52.26 2d49 s ALA 4 Cb -0.02 -3.36 -0.12 0.00 0.00 0.00 0.00 23.12 19.62 2d49 s ALA 4 CO -0.15 -1.41 1.72 2.41 0.00 0.00 0.00 175.76 178.34 2d49 n THR 5 N -2.43 0.03 -1.46 0.00 -1.04 -1.26 -3.11 114.28 105.01 2d49 n THR 5 Ca 0.11 -0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.73 2d49 n THR 5 Cb 0.51 -1.96 0.03 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 4.05 -1.26 -1.55 2.41 0.00 -1.26 -1.91 120.51 120.98 2d49 n ALA 6 Ca 0.16 -0.01 -0.40 0.00 0.00 0.00 0.00 53.44 53.20 2d49 n ALA 6 Cb 0.35 -1.80 0.03 0.00 0.00 0.00 0.00 19.45 18.02 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 -1.61 0.34 -3.75 0.00 -0.00 -0.97 -4.60 117.44 106.85 2d49 n TRP 7 Ca 0.11 0.51 -0.24 0.00 -0.00 0.00 0.00 57.50 57.88 2d49 n TRP 7 Cb 0.47 -2.10 -0.17 0.00 -0.00 0.00 0.00 31.31 29.51 2d49 n TRP 7 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 2d49 s SER 8 N -1.00 1.86 0.48 5.87 0.15 -1.26 -5.00 113.70 114.79 2d49 s SER 8 Ca 0.68 -0.25 0.26 0.00 0.70 0.00 0.00 55.95 57.33 2d49 s SER 8 Cb -0.50 -0.44 1.19 0.00 -1.71 0.00 0.00 66.02 64.56 2d49 s SER 8 CO 0.54 -0.23 1.95 0.77 1.20 0.00 0.00 173.24 177.47 2d49 h SER 9 N 8.33 0.00 -0.71 5.45 4.64 -1.96 -2.45 113.55 126.85 2d49 h SER 9 Ca -0.18 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.84 2d49 h SER 9 Cb 1.12 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.04 2d49 h SER 9 CO 0.27 0.18 0.38 -0.24 -0.87 0.00 0.00 176.83 176.55 2d49 n SER 10 N -3.51 3.94 -3.30 4.97 2.88 -1.26 -4.44 113.62 112.91 2d49 n SER 10 Ca -0.01 -3.14 -0.07 0.00 -1.33 0.00 0.00 58.87 54.33 2d49 n SER 10 Cb 0.34 -0.74 -0.06 0.00 -0.75 0.00 0.00 64.21 63.00 2d49 n SER 10 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d49 s SER 11 N -0.78 -0.00 0.22 -3.46 0.15 -0.92 -5.14 113.70 103.76 2d49 s SER 11 Ca 0.45 0.12 -0.30 0.00 0.70 0.00 0.00 55.95 56.92 2d49 s SER 11 Cb 0.37 1.29 -0.09 0.00 -1.71 0.00 0.00 66.02 65.88 2d49 s SER 11 CO 0.10 -0.31 1.25 0.54 1.20 0.00 0.00 173.24 176.02 2d49 s VAL 12 N 2.60 3.30 0.46 4.45 0.11 -1.26 -4.68 120.40 125.39 2d49 s VAL 12 Ca 0.13 1.13 0.07 0.00 -2.93 0.00 0.00 61.98 60.38 2d49 s VAL 12 Cb -0.14 -3.72 -0.01 0.00 -1.53 0.00 0.00 36.38 30.98 2d49 s VAL 12 CO -0.21 0.20 0.35 -0.31 -3.33 0.00 0.00 175.10 171.80 2d49 s TYR 13 N -0.23 2.30 0.12 1.54 1.51 -0.67 -4.97 117.35 116.95 2d49 s TYR 13 Ca 0.53 -0.63 -0.01 0.00 -1.01 0.00 0.00 57.07 55.95 2d49 s TYR 13 Cb -0.35 -2.04 0.00 0.00 -0.11 0.00 0.00 41.96 39.46 2d49 s TYR 13 CO 0.40 -0.20 0.17 0.25 -1.11 0.00 0.00 175.55 175.06 2d49 n THR 14 N -1.57 0.00 -1.67 -0.71 -2.24 -1.26 -0.41 114.28 106.42 2d49 n THR 14 Ca 0.01 -0.61 -0.43 0.00 -2.27 0.00 0.00 64.05 60.75 2d49 n THR 14 Cb 0.63 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 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 -1.95 4.00 0.00 3.42 5.15 -1.22 -1.82 115.26 122.84 2d49 n ASN 15 Ca 0.00 0.93 0.00 0.00 -0.60 0.00 0.00 54.58 54.91 2d49 n ASN 15 Cb 0.20 -1.50 0.00 0.00 -0.53 0.00 0.00 39.78 37.95 2d49 n ASN 15 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2d49 n GLY 16 N 4.46 2.67 3.72 8.20 0.00 -1.25 -4.90 105.19 118.09 2d49 n GLY 16 Ca 0.20 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 2d49 n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2d49 s GLY 17 N -0.96 2.06 0.13 -0.02 0.00 -0.76 -4.86 107.32 102.91 2d49 s GLY 17 Ca 0.00 1.16 0.10 0.00 0.00 0.00 0.00 44.72 45.98 2d49 s GLY 17 CO 0.00 2.31 -0.23 -1.08 0.00 0.00 0.00 173.10 174.10 2d49 s THR 18 N 0.81 1.98 0.26 0.90 -1.32 -1.26 -2.50 115.64 114.50 2d49 s THR 18 Ca 0.63 -1.71 0.04 0.00 -1.21 0.00 0.00 61.69 59.44 2d49 s THR 18 Cb -0.38 -1.80 -0.01 0.00 -1.51 0.00 0.00 72.50 68.80 2d49 s THR 18 CO 0.33 -0.04 0.14 1.33 -2.21 0.00 0.00 174.62 174.16 2d49 n VAL 19 N 0.85 0.00 -4.35 5.08 0.24 0.50 -4.21 118.33 116.43 2d49 n VAL 19 Ca -0.18 -1.62 -0.29 0.00 -2.04 0.00 0.00 64.34 60.22 2d49 n VAL 19 Cb 0.54 0.67 -0.12 0.00 -1.47 0.00 0.00 33.84 33.46 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 -2.64 3.60 -0.30 -1.34 0.15 -0.80 -0.31 113.70 112.06 2d49 s SER 20 Ca 0.19 -0.67 -0.24 0.00 0.70 0.00 0.00 55.95 55.93 2d49 s SER 20 Cb 0.01 -0.38 0.18 0.00 -1.71 0.00 0.00 66.02 64.12 2d49 s SER 20 CO 0.14 0.17 1.37 -0.47 1.20 0.00 0.00 173.24 175.65 2d49 s TYR 21 N -1.17 -0.12 -2.09 3.44 5.04 0.19 -2.29 117.35 120.34 2d49 s TYR 21 Ca 0.17 0.29 0.00 0.00 -2.44 0.00 0.00 57.07 55.09 2d49 s TYR 21 Cb -0.10 0.43 0.00 0.00 0.35 0.00 0.00 41.96 42.64 2d49 s TYR 21 CO 0.08 -0.06 0.00 -1.71 -1.34 0.00 0.00 175.55 172.53 2d49 n ASN 22 N 1.80 -5.42 0.00 4.32 5.15 -1.26 -0.44 115.26 119.41 2d49 n ASN 22 Ca -0.11 0.42 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 2d49 n ASN 22 Cb 0.57 -4.75 0.00 0.00 -0.53 0.00 0.00 39.78 35.07 2d49 n ASN 22 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2d49 n GLY 23 N -0.47 0.65 2.38 8.20 0.00 -1.26 -5.02 105.19 109.66 2d49 n GLY 23 Ca -0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.66 1.01 -5.10 1.61 1.74 0.41 -0.51 116.66 113.16 2d49 n ARG 24 Ca 0.00 -2.43 -0.32 0.00 -0.77 0.00 0.00 57.85 54.32 2d49 n ARG 24 Cb 0.00 0.87 -0.16 0.00 -1.02 0.00 0.00 32.46 32.15 2d49 n ARG 24 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2d49 s ASN 25 N -2.81 3.39 -0.15 0.55 0.01 -0.67 -0.64 114.94 114.62 2d49 s ASN 25 Ca 0.05 -0.45 0.00 0.00 -0.71 0.00 0.00 52.86 51.75 2d49 s ASN 25 Cb 0.00 -1.19 -0.01 0.00 0.41 0.00 0.00 41.25 40.47 2d49 s ASN 25 CO 0.03 0.21 -0.14 -0.31 -1.51 0.00 0.00 177.10 175.38 2d49 s TYR 26 N 0.05 2.79 -0.17 2.20 2.02 0.58 -0.11 117.35 124.71 2d49 s TYR 26 Ca -0.08 -0.89 -0.02 0.00 -0.37 0.00 0.00 57.07 55.71 2d49 s TYR 26 Cb -0.15 -1.87 -0.01 0.00 -0.40 0.00 0.00 41.96 39.52 2d49 s TYR 26 CO 0.05 -0.38 -0.09 0.99 -1.57 0.00 0.00 175.55 174.55 2d49 s THR 27 N 0.65 3.20 0.89 -0.71 2.01 0.51 -0.37 115.64 121.83 2d49 s THR 27 Ca -0.08 -0.58 -0.12 0.00 0.31 0.00 0.00 61.69 61.22 2d49 s THR 27 Cb -0.16 -2.39 0.13 0.00 0.01 0.00 0.00 72.50 70.09 2d49 s THR 27 CO 0.02 0.48 1.15 0.00 -0.69 0.00 0.00 174.62 175.59 2d49 s ALA 28 N 0.83 1.94 -0.27 7.40 0.00 -1.04 -2.43 121.76 128.19 2d49 s ALA 28 Ca -0.03 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.40 2d49 s ALA 28 Cb -0.15 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 2d49 s ALA 28 CO 0.01 -2.18 0.31 1.17 0.00 0.00 0.00 175.76 175.06 2d49 n LYS 29 N -3.69 3.65 -3.06 0.00 3.00 -1.20 -3.85 118.16 113.02 2d49 n LYS 29 Ca 0.07 -0.26 0.02 0.00 -0.00 0.00 0.00 58.31 58.15 2d49 n LYS 29 Cb 0.60 -0.80 0.01 0.00 0.00 0.00 0.00 35.03 34.83 2d49 n LYS 29 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.40 174.73 2d49 n TRP 30 N -0.62 -0.06 -1.65 5.64 2.14 -1.26 -4.45 117.44 117.17 2d49 n TRP 30 Ca 0.01 -0.29 -0.52 0.00 2.07 0.00 0.00 57.50 58.77 2d49 n TRP 30 Cb 0.07 0.12 -0.06 0.00 -0.81 0.00 0.00 31.31 30.63 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 -0.52 1.90 -3.77 -2.67 -0.00 -1.26 -3.46 117.44 107.66 2d49 n TRP 31 Ca 0.03 0.46 -0.14 0.00 -0.00 0.00 0.00 57.50 57.86 2d49 n TRP 31 Cb 0.31 -2.45 -0.15 0.00 -0.00 0.00 0.00 31.31 29.02 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 1.93 -0.05 0.47 5.87 -1.32 0.45 -4.94 115.64 118.06 2d49 s THR 32 Ca 0.89 0.17 -0.01 0.00 -1.21 0.00 0.00 61.69 61.53 2d49 s THR 32 Cb -0.91 -0.18 0.09 0.00 -1.51 0.00 0.00 72.50 70.00 2d49 s THR 32 CO 0.52 0.07 0.65 0.00 -2.21 0.00 0.00 174.62 173.64 2d49 n GLN 33 N 4.06 0.10 -1.48 7.08 1.13 -1.26 -1.67 117.38 125.35 2d49 n GLN 33 Ca -0.25 -1.71 -0.44 0.00 -1.94 0.00 0.00 57.00 52.66 2d49 n GLN 33 Cb 0.52 -0.45 -0.09 0.00 0.11 0.00 0.00 30.24 30.34 2d49 n GLN 33 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2d49 n ASN 34 N -2.97 1.46 -3.75 1.08 5.15 -1.26 -4.88 115.26 110.09 2d49 n ASN 34 Ca 0.10 0.10 -0.13 0.00 -0.60 0.00 0.00 54.58 54.06 2d49 n ASN 34 Cb 0.37 -1.21 -0.11 0.00 -0.53 0.00 0.00 39.78 38.31 2d49 n ASN 34 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2d49 s GLU 35 N 7.70 0.40 -0.18 1.20 0.41 -1.26 -5.09 118.70 121.89 2d49 s GLU 35 Ca 1.16 0.52 -0.29 0.00 -0.41 0.00 0.00 54.97 55.96 2d49 s GLU 35 Cb -0.86 0.17 -0.05 0.00 -1.78 0.00 0.00 34.13 31.61 2d49 s GLU 35 CO 0.44 -0.06 2.05 1.03 -0.49 0.00 0.00 175.26 178.23 2d49 s ARG 36 N 0.34 3.44 0.51 1.61 0.52 -1.26 -4.95 118.95 119.16 2d49 s ARG 36 Ca -0.01 2.04 -0.21 0.00 -0.52 0.00 0.00 55.73 57.03 2d49 s ARG 36 Cb -0.03 -4.27 -0.06 0.00 0.52 0.00 0.00 34.95 31.10 2d49 s ARG 36 CO -0.01 -1.75 1.14 -1.25 0.02 0.00 0.00 175.30 173.45 2d49 s PRO 37 N 5.69 3.52 0.00 3.54 0.04 -1.26 -3.29 135.00 143.23 2d49 s PRO 37 Ca 0.92 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.64 2d49 s PRO 37 Cb -0.33 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.05 2d49 s PRO 37 CO 0.36 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 177.08 2d49 n GLY 38 N 0.27 3.01 0.03 0.56 0.00 -1.26 -4.79 105.19 103.01 2d49 n GLY 38 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 0.34 -4.44 2.61 -1.04 -1.21 -4.97 114.28 103.57 2d49 n THR 39 Ca 0.00 -0.56 -0.30 0.00 -2.04 0.00 0.00 64.05 61.16 2d49 n THR 39 Cb 0.00 -0.11 -0.12 0.00 -1.82 0.00 0.00 70.33 68.28 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 -4.61 3.63 0.67 8.00 0.15 -1.25 -5.00 113.70 115.28 2d49 s SER 40 Ca -0.08 -0.60 0.42 0.00 0.70 0.00 0.00 55.95 56.39 2d49 s SER 40 Cb 0.11 -0.43 2.30 0.00 -1.71 0.00 0.00 66.02 66.30 2d49 s SER 40 CO 0.83 0.20 2.30 -0.78 1.20 0.00 0.00 173.24 176.99 2d49 h ASP 41 N 4.01 0.00 -0.73 5.45 1.82 -1.96 -2.48 116.42 122.53 2d49 h ASP 41 Ca -0.50 0.00 0.15 0.00 -0.39 0.00 0.00 57.03 56.29 2d49 h ASP 41 Cb 1.16 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 41.07 2d49 h ASP 41 CO 0.44 0.00 0.23 0.58 -1.61 0.00 0.00 179.24 178.88 2d49 h VAL 42 N 0.00 0.59 -3.34 2.25 2.07 -1.96 -3.39 116.25 112.47 2d49 h VAL 42 Ca 0.00 -0.12 -0.64 0.00 0.82 0.00 0.00 66.70 66.76 2d49 h VAL 42 Cb 0.11 0.21 -0.20 0.00 -1.52 0.00 0.00 31.29 29.90 2d49 h VAL 42 CO 0.00 0.06 -0.66 0.26 0.02 0.00 0.00 177.57 177.26 2d49 s TRP 43 N -6.04 3.05 -0.00 1.57 0.52 -0.93 -3.21 118.94 113.89 2d49 s TRP 43 Ca -0.13 -0.18 0.04 0.00 0.02 0.00 0.00 56.10 55.85 2d49 s TRP 43 Cb 0.21 -1.92 -0.01 0.00 -1.15 0.00 0.00 33.47 30.60 2d49 s TRP 43 CO 0.76 0.08 -0.13 0.00 0.02 0.00 0.00 176.95 177.68 2d49 s ALA 44 N 0.09 1.05 -0.09 0.98 0.00 -1.02 -4.26 121.76 118.52 2d49 s ALA 44 Ca -0.00 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.09 2d49 s ALA 44 Cb -0.13 -0.25 -0.07 0.00 0.00 0.00 0.00 23.12 22.66 2d49 s ALA 44 CO 0.03 0.25 2.09 -0.25 0.00 0.00 0.00 175.76 177.87 2d49 n ASP 45 N 2.66 3.71 -0.86 0.00 8.00 -1.26 -0.36 116.55 128.44 2d49 n ASP 45 Ca -0.14 0.58 0.09 0.00 0.71 0.00 0.00 54.79 56.03 2d49 n ASP 45 Cb 0.56 -1.53 0.25 0.00 -0.02 0.00 0.00 41.12 40.38 2d49 n ASP 45 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2d49 n LYS 46 N 8.06 2.83 -1.35 -1.24 4.81 0.85 -4.88 118.16 127.23 2d49 n LYS 46 Ca 0.25 -2.84 0.00 0.00 -0.87 0.00 0.00 58.31 54.85 2d49 n LYS 46 Cb 0.42 -1.83 0.00 0.00 0.02 0.00 0.00 35.03 33.64 2d49 n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2d49 n GLY 47 N -0.57 0.32 3.51 3.14 0.00 -1.23 -4.94 105.19 105.43 2d49 n GLY 47 Ca 0.21 -1.65 -0.25 0.00 0.00 0.00 0.00 46.02 44.33 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 2.82 -0.16 4.61 0.00 -1.26 -1.67 121.76 125.10 2d49 s ALA 48 Ca 0.00 -1.75 -0.05 0.00 0.00 0.00 0.00 51.96 50.16 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 0.32 -0.00 0.00 0.00 0.00 0.00 175.76 176.08 2d49 s GLY 50 N 0.32 1.97 0.23 0.00 0.00 -0.97 -4.69 107.32 104.17 2d49 s GLY 50 Ca -0.01 -0.74 -0.14 0.00 0.00 0.00 0.00 44.72 43.82 2d49 s GLY 50 CO 0.02 -0.46 0.49 -0.51 0.00 0.00 0.00 173.10 172.64 2d49 s THR 51 N -0.86 0.01 -0.06 0.90 -4.23 -1.26 -4.59 115.64 105.55 2d49 s THR 51 Ca 0.13 -1.20 -0.02 0.00 -1.18 0.00 0.00 61.69 59.42 2d49 s THR 51 Cb -0.12 -1.98 0.03 0.00 1.34 0.00 0.00 72.50 71.78 2d49 s THR 51 CO 0.03 -0.07 0.06 -0.83 -0.54 0.00 0.00 174.62 173.27 2d49 s GLY 52 N -2.96 0.27 0.00 3.99 0.00 -1.26 -5.18 107.32 102.18 2d49 s GLY 52 Ca 0.17 0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.97 2d49 s GLY 52 CO 0.05 1.40 0.21 1.44 0.00 0.00 0.00 173.10 176.20