#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 2.15 -0.30 0.00 -4.23 -1.25 -5.07 115.64 106.94 2d49 s THR 2 Ca 0.00 -0.93 -0.17 0.00 -1.18 0.00 0.00 61.69 59.41 2d49 s THR 2 Cb 0.00 -1.89 0.20 0.00 1.34 0.00 0.00 72.50 72.15 2d49 s THR 2 CO 0.00 0.54 1.23 0.00 -0.54 0.00 0.00 174.62 175.85 2d49 s ALA 4 N 1.54 2.56 0.22 0.00 0.00 -1.26 -4.95 121.76 119.86 2d49 s ALA 4 Ca -0.05 0.53 -0.32 0.00 0.00 0.00 0.00 51.96 52.12 2d49 s ALA 4 Cb -0.02 -3.30 -0.12 0.00 0.00 0.00 0.00 23.12 19.68 2d49 s ALA 4 CO -0.13 -1.12 1.70 -2.37 0.00 0.00 0.00 175.76 173.83 2d49 n THR 5 N -2.24 0.16 -1.54 0.00 5.66 -1.26 -2.91 114.28 112.15 2d49 n THR 5 Ca 0.10 -0.04 -0.42 0.00 -3.05 0.00 0.00 64.05 60.65 2d49 n THR 5 Cb 0.52 -1.95 0.01 0.00 -1.55 0.00 0.00 70.33 67.36 2d49 n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2d49 n ALA 6 N 3.66 -0.61 -1.54 1.79 0.00 -1.26 -1.92 120.51 120.62 2d49 n ALA 6 Ca 0.15 0.20 -0.40 0.00 0.00 0.00 0.00 53.44 53.40 2d49 n ALA 6 Cb 0.35 -1.94 0.03 0.00 0.00 0.00 0.00 19.45 17.88 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 -0.67 0.25 -3.69 0.00 -0.00 -0.87 -4.68 117.44 107.79 2d49 n TRP 7 Ca 0.11 0.51 -0.25 0.00 -0.00 0.00 0.00 57.50 57.87 2d49 n TRP 7 Cb 0.39 -2.09 -0.17 0.00 -0.00 0.00 0.00 31.31 29.44 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 -1.01 2.12 0.33 5.87 0.01 -1.26 -4.99 113.70 114.77 2d49 s SER 8 Ca 0.67 -0.43 0.24 0.00 1.31 0.00 0.00 55.95 57.74 2d49 s SER 8 Cb -0.51 -0.36 1.17 0.00 0.21 0.00 0.00 66.02 66.54 2d49 s SER 8 CO 0.54 -0.29 1.74 0.28 0.41 0.00 0.00 173.24 175.93 2d49 h SER 9 N 8.36 0.00 -0.67 2.44 0.02 -1.95 -1.78 113.55 119.98 2d49 h SER 9 Ca -0.16 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.54 2d49 h SER 9 Cb 1.13 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.52 2d49 h SER 9 CO 0.27 0.00 0.32 -0.24 -1.14 0.00 0.00 176.83 176.04 2d49 n SER 10 N -2.35 4.09 -3.63 3.07 2.88 -1.26 -4.52 113.62 111.91 2d49 n SER 10 Ca 0.00 -3.07 -0.03 0.00 -1.33 0.00 0.00 58.87 54.44 2d49 n SER 10 Cb 0.14 -0.72 -0.05 0.00 -0.75 0.00 0.00 64.21 62.82 2d49 n SER 10 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d49 s SER 11 N -0.75 -1.00 0.17 -3.46 0.01 -0.67 -5.15 113.70 102.84 2d49 s SER 11 Ca 0.45 1.45 -0.29 0.00 1.31 0.00 0.00 55.95 58.87 2d49 s SER 11 Cb 0.36 1.90 -0.07 0.00 0.21 0.00 0.00 66.02 68.42 2d49 s SER 11 CO 0.10 -0.21 0.92 0.68 0.41 0.00 0.00 173.24 175.14 2d49 s VAL 12 N 2.38 4.30 -0.01 3.43 -7.23 -1.26 -4.69 120.40 117.32 2d49 s VAL 12 Ca -0.07 2.02 0.02 0.00 -1.81 0.00 0.00 61.98 62.14 2d49 s VAL 12 Cb -0.09 -4.30 -0.03 0.00 0.56 0.00 0.00 36.38 32.52 2d49 s VAL 12 CO -0.19 0.42 -0.04 -0.31 -0.31 0.00 0.00 175.10 174.68 2d49 s TYR 13 N -0.66 2.98 0.20 2.82 2.02 -0.83 -4.97 117.35 118.92 2d49 s TYR 13 Ca 0.43 0.03 0.01 0.00 -0.37 0.00 0.00 57.07 57.16 2d49 s TYR 13 Cb -0.24 -1.66 0.01 0.00 -0.40 0.00 0.00 41.96 39.67 2d49 s TYR 13 CO 0.30 0.41 0.05 0.25 -1.57 0.00 0.00 175.55 174.99 2d49 n THR 14 N 1.62 0.00 -1.68 -0.71 -2.24 -1.26 -0.29 114.28 109.72 2d49 n THR 14 Ca -0.16 -0.89 -0.51 0.00 -2.27 0.00 0.00 64.05 60.22 2d49 n THR 14 Cb 0.53 0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.71 2d49 n THR 14 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2d49 n ASN 15 N -1.40 2.81 0.00 3.42 6.94 -1.25 -0.23 115.26 125.54 2d49 n ASN 15 Ca -0.06 1.04 0.00 0.00 -0.02 0.00 0.00 54.58 55.55 2d49 n ASN 15 Cb 0.25 -1.28 0.00 0.00 -2.36 0.00 0.00 39.78 36.38 2d49 n ASN 15 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2d49 n GLY 16 N 3.91 3.44 3.55 4.83 0.00 -1.25 -4.94 105.19 114.73 2d49 n GLY 16 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.97 0.64 3.89 -0.02 0.00 0.68 -4.81 105.19 103.59 2d49 n GLY 17 Ca 0.00 0.80 -0.34 0.00 0.00 0.00 0.00 46.02 46.48 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 9.11 5.28 0.27 2.61 2.01 -1.26 -2.39 115.64 131.27 2d49 s THR 18 Ca 1.04 0.15 -0.01 0.00 0.31 0.00 0.00 61.69 63.18 2d49 s THR 18 Cb -0.45 -3.58 0.01 0.00 0.01 0.00 0.00 72.50 68.49 2d49 s THR 18 CO 0.36 0.33 0.37 1.33 -0.69 0.00 0.00 174.62 176.32 2d49 n VAL 19 N 0.99 0.00 -4.25 3.82 0.24 0.45 -4.21 118.33 115.37 2d49 n VAL 19 Ca -0.10 -1.39 -0.21 0.00 -2.04 0.00 0.00 64.34 60.60 2d49 n VAL 19 Cb 0.53 0.85 -0.12 0.00 -1.47 0.00 0.00 33.84 33.62 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 -2.67 2.20 -0.30 -1.34 0.15 -0.81 -0.38 113.70 110.55 2d49 s SER 20 Ca 0.23 -0.72 -0.24 0.00 0.70 0.00 0.00 55.95 55.92 2d49 s SER 20 Cb -0.01 -0.10 0.18 0.00 -1.71 0.00 0.00 66.02 64.39 2d49 s SER 20 CO 0.16 -0.04 1.37 -0.47 1.20 0.00 0.00 173.24 175.46 2d49 s TYR 21 N -1.53 -0.12 -1.94 3.44 5.04 0.46 -2.05 117.35 120.64 2d49 s TYR 21 Ca 0.06 0.29 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 2d49 s TYR 21 Cb -0.08 0.42 0.00 0.00 0.35 0.00 0.00 41.96 42.65 2d49 s TYR 21 CO 0.04 -0.06 0.00 -1.71 -1.34 0.00 0.00 175.55 172.48 2d49 n ASN 22 N 1.85 -5.30 0.00 4.32 5.15 -1.26 -0.90 115.26 119.11 2d49 n ASN 22 Ca -0.11 0.39 0.00 0.00 -0.60 0.00 0.00 54.58 54.25 2d49 n ASN 22 Cb 0.57 -4.44 0.00 0.00 -0.53 0.00 0.00 39.78 35.38 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 -0.72 1.02 1.55 8.20 0.00 -1.26 -5.02 105.19 108.95 2d49 n GLY 23 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 1.33 -4.90 1.61 3.00 -0.08 -0.46 116.66 115.16 2d49 n ARG 24 Ca 0.00 -1.49 -0.31 0.00 -0.01 0.00 0.00 57.85 56.04 2d49 n ARG 24 Cb 0.00 0.29 -0.17 0.00 0.00 0.00 0.00 32.46 32.58 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 -2.25 2.91 -0.12 0.55 0.01 -0.79 -0.41 114.94 114.84 2d49 s ASN 25 Ca 0.06 -0.54 -0.03 0.00 -0.71 0.00 0.00 52.86 51.64 2d49 s ASN 25 Cb -0.00 -1.33 -0.03 0.00 0.41 0.00 0.00 41.25 40.29 2d49 s ASN 25 CO 0.04 0.11 -0.01 -0.31 -1.51 0.00 0.00 177.10 175.42 2d49 s TYR 26 N 0.60 3.11 -0.17 2.20 2.02 0.48 -0.07 117.35 125.53 2d49 s TYR 26 Ca -0.13 -0.01 0.01 0.00 -0.37 0.00 0.00 57.07 56.57 2d49 s TYR 26 Cb -0.17 -1.88 0.02 0.00 -0.40 0.00 0.00 41.96 39.53 2d49 s TYR 26 CO 0.04 0.24 -0.18 0.99 -1.57 0.00 0.00 175.55 175.06 2d49 s THR 27 N -0.26 1.90 0.98 -0.71 2.01 0.52 -0.41 115.64 119.67 2d49 s THR 27 Ca 0.06 -0.84 -0.12 0.00 0.31 0.00 0.00 61.69 61.09 2d49 s THR 27 Cb -0.12 -1.73 0.18 0.00 0.01 0.00 0.00 72.50 70.84 2d49 s THR 27 CO 0.02 0.51 1.11 0.00 -0.69 0.00 0.00 174.62 175.57 2d49 s ALA 28 N 1.31 1.15 -0.03 7.40 0.00 -1.01 -2.43 121.76 128.16 2d49 s ALA 28 Ca 0.04 -0.44 0.05 0.00 0.00 0.00 0.00 51.96 51.61 2d49 s ALA 28 Cb -0.13 -3.08 -0.08 0.00 0.00 0.00 0.00 23.12 19.83 2d49 s ALA 28 CO -0.11 -2.72 0.08 1.17 0.00 0.00 0.00 175.76 174.18 2d49 n LYS 29 N -4.08 1.48 -2.70 0.00 3.00 -1.13 -3.75 118.16 110.97 2d49 n LYS 29 Ca 0.06 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.31 58.30 2d49 n LYS 29 Cb 0.58 -1.14 0.02 0.00 0.00 0.00 0.00 35.03 34.49 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 -1.92 -1.51 -1.65 5.64 2.14 -1.26 -4.37 117.44 114.50 2d49 n TRP 30 Ca -0.05 -0.95 -0.51 0.00 2.07 0.00 0.00 57.50 58.07 2d49 n TRP 30 Cb 0.39 0.47 -0.06 0.00 -0.81 0.00 0.00 31.31 31.30 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 -0.35 1.98 -3.77 -2.67 -0.00 -1.26 -3.84 117.44 107.53 2d49 n TRP 31 Ca -0.04 0.40 -0.13 0.00 -0.00 0.00 0.00 57.50 57.74 2d49 n TRP 31 Cb 0.34 -2.48 -0.12 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 1.97 -0.01 0.53 5.87 -1.32 0.60 -4.97 115.64 118.31 2d49 s THR 32 Ca 0.88 0.05 -0.03 0.00 -1.21 0.00 0.00 61.69 61.38 2d49 s THR 32 Cb -0.86 -0.35 0.11 0.00 -1.51 0.00 0.00 72.50 69.89 2d49 s THR 32 CO 0.50 0.02 0.73 0.00 -2.21 0.00 0.00 174.62 173.65 2d49 n GLN 33 N 3.37 -0.12 -1.48 7.08 1.13 -1.26 -1.96 117.38 124.13 2d49 n GLN 33 Ca -0.17 -1.71 -0.44 0.00 -1.94 0.00 0.00 57.00 52.75 2d49 n GLN 33 Cb 0.57 -0.56 -0.09 0.00 0.11 0.00 0.00 30.24 30.27 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 -3.10 1.53 -3.85 1.08 0.23 -1.26 -4.85 115.26 105.04 2d49 n ASN 34 Ca 0.11 0.07 -0.12 0.00 -0.53 0.00 0.00 54.58 54.11 2d49 n ASN 34 Cb 0.39 -1.23 -0.12 0.00 -2.08 0.00 0.00 39.78 36.74 2d49 n ASN 34 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2d49 s GLU 35 N 7.73 0.25 -0.18 -3.83 0.41 -1.26 -5.07 118.70 116.75 2d49 s GLU 35 Ca 1.15 -0.04 -0.29 0.00 -0.41 0.00 0.00 54.97 55.38 2d49 s GLU 35 Cb -0.81 0.11 -0.05 0.00 -1.78 0.00 0.00 34.13 31.60 2d49 s GLU 35 CO 0.43 -0.05 2.05 1.03 -0.49 0.00 0.00 175.26 178.23 2d49 s ARG 36 N -0.45 3.44 0.42 1.61 3.00 -1.26 -4.95 118.95 120.77 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 -0.03 -4.27 -0.08 0.00 0.00 0.00 0.00 34.95 30.56 2d49 s ARG 36 CO 0.00 -1.74 1.18 -1.25 0.00 0.00 0.00 175.30 173.49 2d49 s PRO 37 N 5.68 3.93 0.00 3.54 0.04 -1.26 -3.20 135.00 143.72 2d49 s PRO 37 Ca 0.92 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.80 2d49 s PRO 37 Cb -0.33 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.64 2d49 s PRO 37 CO 0.36 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.38 2d49 n GLY 38 N 0.56 3.16 0.05 0.56 0.00 -1.26 -4.76 105.19 103.50 2d49 n GLY 38 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.36 0.67 -3.82 2.61 -1.04 -1.19 -4.96 114.28 105.18 2d49 n THR 39 Ca 0.00 -0.62 -0.34 0.00 -2.04 0.00 0.00 64.05 61.05 2d49 n THR 39 Cb 0.00 -0.26 -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 -0.44 -0.64 0.00 0.00 175.07 173.99 2d49 s SER 40 N -4.76 6.44 0.62 8.00 0.01 -1.21 -4.98 113.70 117.82 2d49 s SER 40 Ca -0.08 0.47 0.41 0.00 1.31 0.00 0.00 55.95 58.06 2d49 s SER 40 Cb 0.09 -2.06 2.11 0.00 0.21 0.00 0.00 66.02 66.37 2d49 s SER 40 CO 0.77 0.27 2.25 0.44 0.41 0.00 0.00 173.24 177.38 2d49 h ASP 41 N 4.04 0.00 -0.58 2.44 5.19 -1.94 -2.19 116.42 123.38 2d49 h ASP 41 Ca -0.50 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.85 2d49 h ASP 41 Cb 1.20 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.68 2d49 h ASP 41 CO 0.66 0.00 0.15 1.62 -3.12 0.00 0.00 179.24 178.56 2d49 h VAL 42 N 0.00 1.24 -3.51 -1.35 3.04 -1.96 -3.41 116.25 110.30 2d49 h VAL 42 Ca 0.00 -0.88 -0.62 0.00 -1.01 0.00 0.00 66.70 64.19 2d49 h VAL 42 Cb 0.14 0.61 -0.15 0.00 -2.01 0.00 0.00 31.29 29.88 2d49 h VAL 42 CO 0.00 0.33 -0.52 0.26 -1.01 0.00 0.00 177.57 176.63 2d49 s TRP 43 N -5.26 3.30 -0.04 3.17 0.52 -0.83 -2.85 118.94 116.95 2d49 s TRP 43 Ca -0.11 0.17 0.03 0.00 0.02 0.00 0.00 56.10 56.21 2d49 s TRP 43 Cb 0.15 -2.23 0.01 0.00 -1.15 0.00 0.00 33.47 30.25 2d49 s TRP 43 CO 0.82 0.08 -0.11 0.00 0.02 0.00 0.00 176.95 177.76 2d49 s ALA 44 N 0.91 1.05 -0.01 0.98 0.00 -1.02 -4.27 121.76 119.40 2d49 s ALA 44 Ca 0.07 -0.37 -0.32 0.00 0.00 0.00 0.00 51.96 51.34 2d49 s ALA 44 Cb -0.13 -0.43 -0.10 0.00 0.00 0.00 0.00 23.12 22.46 2d49 s ALA 44 CO 0.03 0.14 1.94 -3.47 0.00 0.00 0.00 175.76 174.40 2d49 n ASP 45 N 3.50 3.89 -0.84 0.00 -0.08 -1.26 -0.35 116.55 121.41 2d49 n ASP 45 Ca -0.20 0.93 0.09 0.00 -1.51 0.00 0.00 54.79 54.09 2d49 n ASP 45 Cb 0.53 -1.47 0.25 0.00 2.34 0.00 0.00 41.12 42.77 2d49 n ASP 45 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2d49 n LYS 46 N 7.18 2.82 -1.33 -0.67 3.00 0.90 -4.87 118.16 125.18 2d49 n LYS 46 Ca 0.21 -2.81 0.00 0.00 -0.00 0.00 0.00 58.31 55.71 2d49 n LYS 46 Cb 0.36 -1.81 0.00 0.00 0.00 0.00 0.00 35.03 33.58 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 -0.54 0.45 3.51 3.14 0.00 -1.23 -4.96 105.19 105.56 2d49 n GLY 47 Ca 0.21 -1.64 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.89 121.76 124.88 2d49 s ALA 48 Ca 0.00 -1.76 -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 22.66 2d49 s ALA 48 CO 0.00 0.32 -0.00 0.00 0.00 0.00 0.00 175.76 176.07 2d49 s GLY 50 N 0.31 0.72 0.25 0.00 0.00 -1.06 -4.69 107.32 102.85 2d49 s GLY 50 Ca -0.01 -0.38 0.01 0.00 0.00 0.00 0.00 44.72 44.33 2d49 s GLY 50 CO 0.02 0.60 0.11 -0.51 0.00 0.00 0.00 173.10 173.33 2d49 s THR 51 N 1.33 0.40 0.00 0.90 -4.23 -1.26 -2.27 115.64 110.51 2d49 s THR 51 Ca -0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 2d49 s THR 51 Cb -0.14 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.12 2d49 s THR 51 CO -0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 2d49 n GLY 52 N -0.44 1.95 0.00 3.99 0.00 -1.26 -4.88 105.19 104.54 2d49 n GLY 52 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2d49 n GLY 52 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76