#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 4.94 -0.30 0.00 -1.32 -1.26 -4.93 115.64 112.77 2d49 s THR 2 Ca 0.00 1.71 -0.19 0.00 -1.21 0.00 0.00 61.69 62.01 2d49 s THR 2 Cb 0.00 -4.16 0.19 0.00 -1.51 0.00 0.00 72.50 67.02 2d49 s THR 2 CO 0.00 0.23 1.24 0.00 -2.21 0.00 0.00 174.62 173.88 2d49 s ALA 4 N 2.15 2.03 0.24 0.00 0.00 -1.26 -4.91 121.76 120.02 2d49 s ALA 4 Ca -0.00 0.88 -0.31 0.00 0.00 0.00 0.00 51.96 52.52 2d49 s ALA 4 Cb -0.02 -3.48 -0.12 0.00 0.00 0.00 0.00 23.12 19.50 2d49 s ALA 4 CO -0.16 -2.01 1.66 2.41 0.00 0.00 0.00 175.76 177.66 2d49 n THR 5 N -2.89 0.47 -1.54 0.00 -1.04 -1.26 -3.04 114.28 104.98 2d49 n THR 5 Ca 0.13 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.05 61.60 2d49 n THR 5 Cb 0.50 -1.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.07 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 3.10 -0.68 -1.54 2.41 0.00 -1.26 -1.97 120.51 120.56 2d49 n ALA 6 Ca 0.13 0.24 -0.40 0.00 0.00 0.00 0.00 53.44 53.41 2d49 n ALA 6 Cb 0.35 -1.93 0.03 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 -0.48 0.30 -3.83 0.00 -0.00 -0.93 -4.69 117.44 107.81 2d49 n TRP 7 Ca 0.11 0.51 -0.19 0.00 -0.00 0.00 0.00 57.50 57.93 2d49 n TRP 7 Cb 0.37 -2.09 -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 -0.99 0.76 0.40 5.87 0.01 -1.26 -5.02 113.70 113.48 2d49 s SER 8 Ca 0.67 -0.01 0.22 0.00 1.31 0.00 0.00 55.95 58.14 2d49 s SER 8 Cb -0.51 -0.23 0.71 0.00 0.21 0.00 0.00 66.02 66.20 2d49 s SER 8 CO 0.54 -0.15 1.74 0.77 0.41 0.00 0.00 173.24 176.55 2d49 h SER 9 N 7.71 0.00 -0.70 2.44 4.64 -1.96 -2.95 113.55 122.73 2d49 h SER 9 Ca -0.32 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.71 2d49 h SER 9 Cb 1.13 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.04 2d49 h SER 9 CO 0.36 0.28 0.37 -1.20 -0.87 0.00 0.00 176.83 175.78 2d49 n SER 10 N -3.37 3.95 -3.35 4.97 7.64 -1.26 -4.26 113.62 117.95 2d49 n SER 10 Ca 0.01 -3.12 -0.13 0.00 1.01 0.00 0.00 58.87 56.63 2d49 n SER 10 Cb 0.50 -0.74 -0.08 0.00 -1.01 0.00 0.00 64.21 62.89 2d49 n SER 10 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d49 s SER 11 N -0.77 1.01 0.19 6.43 0.15 -1.11 -5.13 113.70 114.46 2d49 s SER 11 Ca 0.45 -0.77 -0.32 0.00 0.70 0.00 0.00 55.95 56.01 2d49 s SER 11 Cb 0.37 0.78 -0.11 0.00 -1.71 0.00 0.00 66.02 65.35 2d49 s SER 11 CO 0.10 -0.35 1.61 0.54 1.20 0.00 0.00 173.24 176.35 2d49 s VAL 12 N 2.25 2.41 0.38 4.45 0.11 -1.26 -4.72 120.40 124.02 2d49 s VAL 12 Ca 0.11 0.30 0.08 0.00 -2.93 0.00 0.00 61.98 59.54 2d49 s VAL 12 Cb -0.13 -3.19 -0.02 0.00 -1.53 0.00 0.00 36.38 31.51 2d49 s VAL 12 CO -0.26 0.03 0.37 -0.31 -3.33 0.00 0.00 175.10 171.60 2d49 s TYR 13 N 1.07 2.82 0.09 1.54 2.02 -0.91 -4.95 117.35 119.03 2d49 s TYR 13 Ca 0.71 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 57.02 2d49 s TYR 13 Cb -0.46 -2.04 -0.00 0.00 -0.40 0.00 0.00 41.96 39.06 2d49 s TYR 13 CO 0.32 -0.03 0.11 0.25 -1.57 0.00 0.00 175.55 174.64 2d49 n THR 14 N -1.52 0.00 -1.62 -0.71 -2.24 -1.25 -0.33 114.28 106.61 2d49 n THR 14 Ca 0.02 -0.52 -0.50 0.00 -2.27 0.00 0.00 64.05 60.78 2d49 n THR 14 Cb 0.60 0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 69.08 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 -2.21 2.94 0.00 3.42 2.85 -1.24 -0.80 115.26 120.21 2d49 n ASN 15 Ca 0.01 0.77 0.00 0.00 -0.11 0.00 0.00 54.58 55.24 2d49 n ASN 15 Cb 0.16 -1.33 0.00 0.00 1.24 0.00 0.00 39.78 39.85 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 5.07 2.54 3.49 8.20 0.00 -1.22 -4.90 105.19 118.38 2d49 n GLY 16 Ca 0.29 -0.47 -0.50 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 0.66 3.87 -0.02 0.00 0.02 -4.75 105.19 104.96 2d49 n GLY 17 Ca 0.00 0.90 -0.31 0.00 0.00 0.00 0.00 46.02 46.61 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 7.13 5.11 0.31 2.61 2.01 -1.26 -2.19 115.64 129.36 2d49 s THR 18 Ca 1.07 -0.48 -0.01 0.00 0.31 0.00 0.00 61.69 62.58 2d49 s THR 18 Cb -0.77 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 68.28 2d49 s THR 18 CO 0.48 0.16 0.42 1.33 -0.69 0.00 0.00 174.62 176.32 2d49 n VAL 19 N 0.44 0.00 -4.28 3.82 0.24 0.45 -4.14 118.33 114.86 2d49 n VAL 19 Ca -0.07 -1.66 -0.23 0.00 -2.04 0.00 0.00 64.34 60.34 2d49 n VAL 19 Cb 0.51 1.00 -0.12 0.00 -1.47 0.00 0.00 33.84 33.76 2d49 n VAL 19 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2d49 s SER 20 N -2.96 2.45 -0.29 -1.34 1.04 -0.83 -0.38 113.70 111.38 2d49 s SER 20 Ca 0.27 -0.72 -0.25 0.00 0.48 0.00 0.00 55.95 55.73 2d49 s SER 20 Cb -0.01 -0.13 0.18 0.00 0.10 0.00 0.00 66.02 66.17 2d49 s SER 20 CO 0.19 0.01 1.38 -0.47 0.98 0.00 0.00 173.24 175.34 2d49 s TYR 21 N -1.41 -0.12 -1.93 5.02 5.04 0.49 -2.18 117.35 122.27 2d49 s TYR 21 Ca 0.08 0.28 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 2d49 s TYR 21 Cb -0.09 0.47 0.00 0.00 0.35 0.00 0.00 41.96 42.69 2d49 s TYR 21 CO 0.04 -0.06 0.00 0.09 -1.34 0.00 0.00 175.55 174.29 2d49 n ASN 22 N 1.64 -5.29 0.00 4.32 3.02 -1.26 -0.92 115.26 116.77 2d49 n ASN 22 Ca -0.10 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 2d49 n ASN 22 Cb 0.57 -4.43 0.00 0.00 -0.61 0.00 0.00 39.78 35.31 2d49 n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d49 n GLY 23 N -0.73 0.81 1.48 7.41 0.00 -1.26 -5.02 105.19 107.87 2d49 n GLY 23 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.19 1.50 -4.76 1.61 3.00 -0.10 -0.80 116.66 114.93 2d49 n ARG 24 Ca 0.00 -1.50 -0.29 0.00 -0.01 0.00 0.00 57.85 56.05 2d49 n ARG 24 Cb 0.00 0.40 -0.17 0.00 0.00 0.00 0.00 32.46 32.69 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 -2.14 2.58 -0.10 0.55 0.01 -0.90 -0.38 114.94 114.57 2d49 s ASN 25 Ca 0.00 -0.46 0.01 0.00 -0.71 0.00 0.00 52.86 51.70 2d49 s ASN 25 Cb -0.00 -1.18 -0.02 0.00 0.41 0.00 0.00 41.25 40.46 2d49 s ASN 25 CO 0.00 0.07 -0.11 -0.31 -1.51 0.00 0.00 177.10 175.25 2d49 s TYR 26 N 0.68 2.84 -0.14 2.20 2.02 0.49 -0.10 117.35 125.35 2d49 s TYR 26 Ca -0.12 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.29 2d49 s TYR 26 Cb -0.16 -1.77 0.00 0.00 -0.40 0.00 0.00 41.96 39.63 2d49 s TYR 26 CO 0.03 0.05 -0.19 0.99 -1.57 0.00 0.00 175.55 174.86 2d49 s THR 27 N -0.20 2.35 0.91 -0.71 2.01 0.50 -0.41 115.64 120.09 2d49 s THR 27 Ca 0.01 -0.89 -0.12 0.00 0.31 0.00 0.00 61.69 61.00 2d49 s THR 27 Cb -0.13 -1.96 0.14 0.00 0.01 0.00 0.00 72.50 70.56 2d49 s THR 27 CO 0.03 0.54 1.14 0.00 -0.69 0.00 0.00 174.62 175.63 2d49 s ALA 28 N 0.71 1.78 -0.02 7.40 0.00 -0.93 -2.42 121.76 128.27 2d49 s ALA 28 Ca -0.09 -0.53 0.06 0.00 0.00 0.00 0.00 51.96 51.40 2d49 s ALA 28 Cb -0.16 -3.03 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 2d49 s ALA 28 CO 0.01 -2.29 0.10 1.63 0.00 0.00 0.00 175.76 175.22 2d49 n LYS 29 N -3.76 1.11 -2.85 0.00 4.76 -1.16 -3.39 118.16 112.86 2d49 n LYS 29 Ca 0.07 -0.04 -0.03 0.00 -2.87 0.00 0.00 58.31 55.43 2d49 n LYS 29 Cb 0.59 -1.15 0.02 0.00 -1.84 0.00 0.00 35.03 32.65 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 -1.88 -1.38 -1.63 2.13 2.14 -1.26 -3.88 117.44 111.67 2d49 n TRP 30 Ca -0.04 -0.94 -0.49 0.00 2.07 0.00 0.00 57.50 58.10 2d49 n TRP 30 Cb 0.33 0.46 -0.05 0.00 -0.81 0.00 0.00 31.31 31.24 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 -0.40 1.89 -3.72 -2.67 -0.00 -1.26 -3.70 117.44 107.59 2d49 n TRP 31 Ca -0.03 0.45 -0.13 0.00 -0.00 0.00 0.00 57.50 57.79 2d49 n TRP 31 Cb 0.36 -2.44 -0.10 0.00 -0.00 0.00 0.00 31.31 29.13 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 0.86 -0.00 0.50 5.87 -1.32 0.56 -4.93 115.64 117.17 2d49 s THR 32 Ca 0.83 0.02 -0.03 0.00 -1.21 0.00 0.00 61.69 61.29 2d49 s THR 32 Cb -0.83 -0.60 0.10 0.00 -1.51 0.00 0.00 72.50 69.66 2d49 s THR 32 CO 0.43 0.01 0.69 1.67 -2.21 0.00 0.00 174.62 175.21 2d49 n GLN 33 N 3.10 -0.10 -1.47 7.08 -0.06 -1.26 -2.14 117.38 122.52 2d49 n GLN 33 Ca -0.15 -1.60 -0.45 0.00 -2.00 0.00 0.00 57.00 52.80 2d49 n GLN 33 Cb 0.57 -0.54 -0.09 0.00 -4.06 0.00 0.00 30.24 26.12 2d49 n GLN 33 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 2d49 n ASN 34 N -3.10 1.48 -3.80 1.69 6.94 -1.26 -4.89 115.26 112.31 2d49 n ASN 34 Ca 0.10 0.12 -0.13 0.00 -0.02 0.00 0.00 54.58 54.66 2d49 n ASN 34 Cb 0.37 -1.21 -0.11 0.00 -2.36 0.00 0.00 39.78 36.47 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 7.63 0.30 -0.18 -3.83 0.41 -1.26 -5.07 118.70 116.70 2d49 s GLU 35 Ca 1.16 0.22 -0.29 0.00 -0.41 0.00 0.00 54.97 55.66 2d49 s GLU 35 Cb -0.86 0.14 -0.05 0.00 -1.78 0.00 0.00 34.13 31.58 2d49 s GLU 35 CO 0.44 -0.05 2.05 1.03 -0.49 0.00 0.00 175.26 178.25 2d49 s ARG 36 N -0.09 3.43 0.45 1.61 3.00 -1.26 -4.95 118.95 121.14 2d49 s ARG 36 Ca -0.02 2.04 -0.23 0.00 0.00 0.00 0.00 55.73 57.51 2d49 s ARG 36 Cb -0.02 -4.27 -0.08 0.00 0.00 0.00 0.00 34.95 30.58 2d49 s ARG 36 CO 0.01 -1.76 1.17 -1.25 0.00 0.00 0.00 175.30 173.47 2d49 s PRO 37 N 5.70 3.82 0.00 3.54 0.04 -1.26 -3.34 135.00 143.50 2d49 s PRO 37 Ca 0.93 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.76 2d49 s PRO 37 Cb -0.33 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.74 2d49 s PRO 37 CO 0.36 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.30 2d49 n GLY 38 N 0.49 2.67 0.13 0.56 0.00 -1.23 -4.75 105.19 103.06 2d49 n GLY 38 Ca 0.07 -0.24 0.05 0.00 0.00 0.00 0.00 46.02 45.90 2d49 n GLY 38 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2d49 h THR 39 N 0.00 0.43 -3.87 2.61 2.02 -1.84 -3.46 112.91 108.81 2d49 h THR 39 Ca 0.00 -1.70 -0.68 0.00 0.77 0.00 0.00 66.41 64.80 2d49 h THR 39 Cb 0.00 2.05 -0.21 0.00 -1.74 0.00 0.00 68.15 68.25 2d49 h THR 39 CO 0.00 0.25 -0.80 -0.94 0.37 0.00 0.00 175.52 174.40 2d49 s SER 40 N -5.99 3.88 0.60 4.18 1.04 -1.24 -5.00 113.70 111.17 2d49 s SER 40 Ca 0.02 -0.45 0.30 0.00 0.48 0.00 0.00 55.95 56.29 2d49 s SER 40 Cb 0.08 -0.62 1.63 0.00 0.10 0.00 0.00 66.02 67.21 2d49 s SER 40 CO 0.76 0.23 2.02 0.44 0.98 0.00 0.00 173.24 177.67 2d49 h ASP 41 N 4.27 0.00 -0.45 7.02 3.32 -1.95 -2.08 116.42 126.54 2d49 h ASP 41 Ca -0.48 0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.66 2d49 h ASP 41 Cb 1.16 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.62 2d49 h ASP 41 CO 0.48 0.00 -0.13 0.58 -1.72 0.00 0.00 179.24 178.44 2d49 h VAL 42 N 0.00 0.51 -3.28 -1.35 2.07 -1.95 -3.39 116.25 108.86 2d49 h VAL 42 Ca 0.11 0.00 -0.61 0.00 0.82 0.00 0.00 66.70 67.02 2d49 h VAL 42 Cb 0.72 0.51 -0.16 0.00 -1.52 0.00 0.00 31.29 30.85 2d49 h VAL 42 CO -0.00 0.00 -0.56 0.26 0.02 0.00 0.00 177.57 177.29 2d49 s TRP 43 N -6.21 3.26 -0.01 1.57 0.52 -0.78 -2.98 118.94 114.30 2d49 s TRP 43 Ca -0.14 0.09 0.04 0.00 0.02 0.00 0.00 56.10 56.10 2d49 s TRP 43 Cb 0.16 -2.08 -0.01 0.00 -1.15 0.00 0.00 33.47 30.39 2d49 s TRP 43 CO 0.71 0.17 -0.12 0.00 0.02 0.00 0.00 176.95 177.73 2d49 s ALA 44 N 0.34 1.03 -0.06 0.98 0.00 -1.02 -3.58 121.76 119.46 2d49 s ALA 44 Ca 0.03 -0.52 -0.29 0.00 0.00 0.00 0.00 51.96 51.18 2d49 s ALA 44 Cb -0.12 -0.28 -0.07 0.00 0.00 0.00 0.00 23.12 22.65 2d49 s ALA 44 CO -0.00 0.24 1.89 0.16 0.00 0.00 0.00 175.76 178.05 2d49 s ASP 45 N -0.21 6.32 -0.18 0.00 -4.77 -1.26 -0.37 116.67 116.20 2d49 s ASP 45 Ca 0.03 2.29 0.17 0.00 -3.30 0.00 0.00 52.55 51.74 2d49 s ASP 45 Cb -0.06 -2.53 0.52 0.00 -1.09 0.00 0.00 42.92 39.77 2d49 s ASP 45 CO -0.00 -1.21 1.42 0.29 0.70 0.00 0.00 175.17 176.37 2d49 n LYS 46 N 7.67 2.85 -1.37 2.11 5.02 0.86 -4.91 118.16 130.38 2d49 n LYS 46 Ca 0.21 -2.85 0.00 0.00 -2.02 0.00 0.00 58.31 53.65 2d49 n LYS 46 Cb 0.43 -1.84 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 2d49 n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2d49 n GLY 47 N -0.56 0.45 3.51 0.72 0.00 -1.23 -4.96 105.19 103.12 2d49 n GLY 47 Ca 0.21 -1.63 -0.25 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 2.82 -0.16 4.61 0.00 -1.26 -2.11 121.76 124.66 2d49 s ALA 48 Ca 0.00 -1.76 -0.05 0.00 0.00 0.00 0.00 51.96 50.15 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 0.31 1.77 -0.08 0.00 0.00 -1.07 -4.68 107.32 103.57 2d49 s GLY 50 Ca -0.01 -1.26 -0.05 0.00 0.00 0.00 0.00 44.72 43.39 2d49 s GLY 50 CO 0.02 0.58 0.20 -0.51 0.00 0.00 0.00 173.10 173.39 2d49 s THR 51 N 1.57 -0.03 -0.01 0.90 -4.23 -1.26 -4.53 115.64 108.05 2d49 s THR 51 Ca 0.05 0.10 -0.07 0.00 -1.18 0.00 0.00 61.69 60.59 2d49 s THR 51 Cb -0.16 -0.30 0.01 0.00 1.34 0.00 0.00 72.50 73.39 2d49 s THR 51 CO 0.03 0.04 0.15 -0.83 -0.54 0.00 0.00 174.62 173.47 2d49 s GLY 52 N 0.78 0.00 0.00 3.99 0.00 -1.26 -5.23 107.32 105.60 2d49 s GLY 52 Ca -0.06 0.03 0.27 0.00 0.00 0.00 0.00 44.72 44.96 2d49 s GLY 52 CO -0.04 -0.09 1.60 -1.26 0.00 0.00 0.00 173.10 173.31