#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 5.36 -0.30 0.00 -4.23 -1.26 -5.00 115.64 110.21 2d49 s THR 2 Ca 0.00 0.17 -0.19 0.00 -1.18 0.00 0.00 61.69 60.49 2d49 s THR 2 Cb 0.00 -3.41 0.19 0.00 1.34 0.00 0.00 72.50 70.62 2d49 s THR 2 CO 0.00 0.49 1.24 0.00 -0.54 0.00 0.00 174.62 175.82 2d49 s ALA 4 N 2.04 2.18 0.22 0.00 0.00 -1.26 -4.91 121.76 120.02 2d49 s ALA 4 Ca -0.00 0.81 -0.32 0.00 0.00 0.00 0.00 51.96 52.44 2d49 s ALA 4 Cb -0.02 -3.44 -0.12 0.00 0.00 0.00 0.00 23.12 19.54 2d49 s ALA 4 CO -0.16 -1.77 1.70 -2.37 0.00 0.00 0.00 175.76 173.17 2d49 n THR 5 N -2.68 0.11 -1.54 0.00 5.66 -1.26 -2.96 114.28 111.60 2d49 n THR 5 Ca 0.13 -0.03 -0.42 0.00 -3.05 0.00 0.00 64.05 60.68 2d49 n THR 5 Cb 0.51 -1.96 0.01 0.00 -1.55 0.00 0.00 70.33 67.33 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 3.75 -0.59 -1.56 1.79 0.00 -1.26 -1.95 120.51 120.69 2d49 n ALA 6 Ca 0.15 0.22 -0.41 0.00 0.00 0.00 0.00 53.44 53.41 2d49 n ALA 6 Cb 0.35 -1.95 0.02 0.00 0.00 0.00 0.00 19.45 17.87 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 -0.57 0.55 -3.69 0.00 -0.00 -0.89 -4.69 117.44 108.16 2d49 n TRP 7 Ca 0.11 0.56 -0.24 0.00 -0.00 0.00 0.00 57.50 57.92 2d49 n TRP 7 Cb 0.38 -2.14 -0.17 0.00 -0.00 0.00 0.00 31.31 29.38 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 -0.87 1.93 0.35 5.87 0.01 -1.26 -4.99 113.70 114.73 2d49 s SER 8 Ca 0.65 -0.33 0.26 0.00 1.31 0.00 0.00 55.95 57.83 2d49 s SER 8 Cb -0.55 -0.32 1.24 0.00 0.21 0.00 0.00 66.02 66.60 2d49 s SER 8 CO 0.56 -0.28 1.78 0.77 0.41 0.00 0.00 173.24 176.48 2d49 h SER 9 N 8.37 0.00 -0.70 2.44 4.64 -1.96 -1.77 113.55 124.57 2d49 h SER 9 Ca -0.15 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.87 2d49 h SER 9 Cb 1.13 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.04 2d49 h SER 9 CO 0.25 0.00 0.38 -0.24 -0.87 0.00 0.00 176.83 176.35 2d49 n SER 10 N -2.40 3.95 -3.52 4.97 2.88 -1.26 -4.49 113.62 113.75 2d49 n SER 10 Ca -0.00 -3.13 -0.03 0.00 -1.33 0.00 0.00 58.87 54.38 2d49 n SER 10 Cb 0.13 -0.74 -0.05 0.00 -0.75 0.00 0.00 64.21 62.80 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 -0.85 0.08 -3.46 0.15 -0.67 -5.14 113.70 103.04 2d49 s SER 11 Ca 0.45 1.17 -0.30 0.00 0.70 0.00 0.00 55.95 57.97 2d49 s SER 11 Cb 0.37 1.93 -0.05 0.00 -1.71 0.00 0.00 66.02 66.56 2d49 s SER 11 CO 0.10 -0.24 1.05 0.54 1.20 0.00 0.00 173.24 175.89 2d49 s VAL 12 N 2.79 4.36 0.39 4.45 0.11 -1.26 -4.74 120.40 126.50 2d49 s VAL 12 Ca 0.02 1.84 0.08 0.00 -2.93 0.00 0.00 61.98 60.99 2d49 s VAL 12 Cb -0.13 -4.18 -0.02 0.00 -1.53 0.00 0.00 36.38 30.52 2d49 s VAL 12 CO -0.18 0.22 0.36 -0.31 -3.33 0.00 0.00 175.10 171.87 2d49 s TYR 13 N 0.45 2.79 0.07 1.54 2.02 -0.82 -4.97 117.35 118.42 2d49 s TYR 13 Ca 0.51 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.80 2d49 s TYR 13 Cb -0.25 -2.05 0.00 0.00 -0.40 0.00 0.00 41.96 39.25 2d49 s TYR 13 CO 0.30 -0.03 0.08 0.25 -1.57 0.00 0.00 175.55 174.58 2d49 n THR 14 N -1.51 0.00 -1.69 -0.71 -2.24 -1.26 -0.40 114.28 106.48 2d49 n THR 14 Ca 0.02 -0.36 -0.52 0.00 -2.27 0.00 0.00 64.05 60.92 2d49 n THR 14 Cb 0.61 0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.99 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 -2.19 2.88 0.00 3.42 2.85 -1.23 -0.21 115.26 120.79 2d49 n ASN 15 Ca 0.00 1.03 0.00 0.00 -0.11 0.00 0.00 54.58 55.51 2d49 n ASN 15 Cb 0.11 -1.28 0.00 0.00 1.24 0.00 0.00 39.78 39.86 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 4.10 3.13 3.68 8.20 0.00 -1.23 -4.90 105.19 118.17 2d49 n GLY 16 Ca 0.23 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.98 1.27 3.34 -0.02 0.00 0.70 -4.83 105.19 103.68 2d49 n GLY 17 Ca 0.00 0.68 -0.31 0.00 0.00 0.00 0.00 46.02 46.39 2d49 n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2d49 s THR 18 N 1.54 2.18 0.29 2.61 -4.23 -1.26 -1.51 115.64 115.27 2d49 s THR 18 Ca 0.81 -1.14 -0.02 0.00 -1.18 0.00 0.00 61.69 60.16 2d49 s THR 18 Cb -0.64 -1.79 0.01 0.00 1.34 0.00 0.00 72.50 71.42 2d49 s THR 18 CO 0.39 0.53 0.41 1.33 -0.54 0.00 0.00 174.62 176.74 2d49 n VAL 19 N 2.26 0.00 -4.25 2.29 0.24 0.43 -4.21 118.33 115.09 2d49 n VAL 19 Ca -0.16 -1.43 -0.20 0.00 -2.04 0.00 0.00 64.34 60.51 2d49 n VAL 19 Cb 0.51 0.89 -0.12 0.00 -1.47 0.00 0.00 33.84 33.66 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 -2.77 2.13 -0.30 -1.34 1.04 -0.82 -0.37 113.70 111.27 2d49 s SER 20 Ca 0.23 -0.74 -0.24 0.00 0.48 0.00 0.00 55.95 55.68 2d49 s SER 20 Cb -0.01 -0.09 0.18 0.00 0.10 0.00 0.00 66.02 66.20 2d49 s SER 20 CO 0.17 -0.07 1.37 -0.47 0.98 0.00 0.00 173.24 175.22 2d49 s TYR 21 N -1.68 -0.12 -1.94 5.02 5.04 0.43 -2.10 117.35 121.99 2d49 s TYR 21 Ca 0.06 0.28 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 2d49 s TYR 21 Cb -0.07 0.42 0.00 0.00 0.35 0.00 0.00 41.96 42.66 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 -5.31 0.00 4.32 5.15 -1.26 -0.89 115.26 119.12 2d49 n ASN 22 Ca -0.11 0.38 0.00 0.00 -0.60 0.00 0.00 54.58 54.25 2d49 n ASN 22 Cb 0.57 -4.46 0.00 0.00 -0.53 0.00 0.00 39.78 35.36 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 -0.71 0.82 1.63 8.20 0.00 -1.26 -5.02 105.19 108.84 2d49 n GLY 23 Ca -0.20 0.00 -0.14 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 -2.11 1.38 -5.06 1.61 1.74 -0.07 -0.42 116.66 113.73 2d49 n ARG 24 Ca 0.00 -1.62 -0.30 0.00 -0.77 0.00 0.00 57.85 55.16 2d49 n ARG 24 Cb 0.00 0.38 -0.17 0.00 -1.02 0.00 0.00 32.46 31.65 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 -2.28 2.76 -0.08 0.55 0.01 -0.59 -0.43 114.94 114.87 2d49 s ASN 25 Ca 0.03 -0.49 0.01 0.00 -0.71 0.00 0.00 52.86 51.69 2d49 s ASN 25 Cb -0.00 -1.24 -0.03 0.00 0.41 0.00 0.00 41.25 40.39 2d49 s ASN 25 CO 0.02 0.13 -0.08 -0.31 -1.51 0.00 0.00 177.10 175.35 2d49 s TYR 26 N 0.39 2.90 -0.11 2.20 2.02 0.50 -0.10 117.35 125.16 2d49 s TYR 26 Ca -0.17 -0.10 0.01 0.00 -0.37 0.00 0.00 57.07 56.44 2d49 s TYR 26 Cb -0.17 -1.74 0.02 0.00 -0.40 0.00 0.00 41.96 39.67 2d49 s TYR 26 CO 0.07 0.22 -0.12 0.99 -1.57 0.00 0.00 175.55 175.14 2d49 s THR 27 N -0.56 1.32 0.91 -0.71 2.01 0.48 -0.43 115.64 118.67 2d49 s THR 27 Ca 0.08 -0.51 -0.12 0.00 0.31 0.00 0.00 61.69 61.45 2d49 s THR 27 Cb -0.12 -1.25 0.14 0.00 0.01 0.00 0.00 72.50 71.28 2d49 s THR 27 CO 0.02 0.41 1.14 0.00 -0.69 0.00 0.00 174.62 175.50 2d49 s ALA 28 N 1.26 1.75 -0.02 7.40 0.00 -0.57 -2.43 121.76 129.15 2d49 s ALA 28 Ca -0.02 -0.53 0.06 0.00 0.00 0.00 0.00 51.96 51.47 2d49 s ALA 28 Cb -0.14 -3.03 -0.09 0.00 0.00 0.00 0.00 23.12 19.86 2d49 s ALA 28 CO -0.05 -2.31 0.11 1.63 0.00 0.00 0.00 175.76 175.14 2d49 n LYS 29 N -3.78 0.91 -2.74 0.00 4.76 -1.19 -3.49 118.16 112.63 2d49 n LYS 29 Ca 0.07 -0.04 -0.04 0.00 -2.87 0.00 0.00 58.31 55.42 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 -1.85 -1.59 -1.63 2.13 2.14 -1.26 -4.09 117.44 111.29 2d49 n TRP 30 Ca -0.03 -1.02 -0.49 0.00 2.07 0.00 0.00 57.50 58.03 2d49 n TRP 30 Cb 0.30 0.50 -0.05 0.00 -0.81 0.00 0.00 31.31 31.25 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 1.88 -3.72 -2.67 -0.00 -1.26 -3.53 117.44 107.78 2d49 n TRP 31 Ca -0.04 0.46 -0.12 0.00 -0.00 0.00 0.00 57.50 57.79 2d49 n TRP 31 Cb 0.36 -2.43 -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 0.82 -0.01 0.54 5.87 -1.32 0.46 -4.94 115.64 117.07 2d49 s THR 32 Ca 0.82 0.03 -0.03 0.00 -1.21 0.00 0.00 61.69 61.30 2d49 s THR 32 Cb -0.83 -0.60 0.11 0.00 -1.51 0.00 0.00 72.50 69.67 2d49 s THR 32 CO 0.43 0.01 0.73 0.00 -2.21 0.00 0.00 174.62 173.59 2d49 n GLN 33 N 3.25 -0.13 -1.48 7.08 1.13 -1.26 -1.95 117.38 124.01 2d49 n GLN 33 Ca -0.16 -1.72 -0.44 0.00 -1.94 0.00 0.00 57.00 52.74 2d49 n GLN 33 Cb 0.57 -0.57 -0.08 0.00 0.11 0.00 0.00 30.24 30.26 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 1.56 -3.81 1.08 6.94 -1.26 -4.86 115.26 111.81 2d49 n ASN 34 Ca 0.11 0.08 -0.12 0.00 -0.02 0.00 0.00 54.58 54.63 2d49 n ASN 34 Cb 0.40 -1.24 -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 7.67 0.34 -0.18 -3.83 2.02 -1.26 -5.07 118.70 118.40 2d49 s GLU 35 Ca 1.15 0.09 -0.29 0.00 0.02 0.00 0.00 54.97 55.94 2d49 s GLU 35 Cb -0.80 0.16 -0.05 0.00 0.10 0.00 0.00 34.13 33.53 2d49 s GLU 35 CO 0.43 -0.06 2.04 1.03 0.02 0.00 0.00 175.26 178.72 2d49 s ARG 36 N -0.37 3.44 0.44 1.61 0.52 -1.26 -4.95 118.95 118.38 2d49 s ARG 36 Ca -0.05 2.03 -0.24 0.00 -0.52 0.00 0.00 55.73 56.96 2d49 s ARG 36 Cb -0.03 -4.27 -0.08 0.00 0.52 0.00 0.00 34.95 31.09 2d49 s ARG 36 CO 0.01 -1.74 1.17 -1.25 0.02 0.00 0.00 175.30 173.51 2d49 s PRO 37 N 5.68 3.84 0.00 3.54 0.04 -1.26 -3.37 135.00 143.47 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 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.72 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 0.50 2.49 0.15 0.56 0.00 -1.24 -4.74 105.19 102.92 2d49 n GLY 38 Ca 0.06 -0.41 0.05 0.00 0.00 0.00 0.00 46.02 45.72 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 0.61 -3.86 2.61 2.02 -1.85 -3.45 112.91 108.99 2d49 h THR 39 Ca 0.00 -1.88 -0.68 0.00 0.77 0.00 0.00 66.41 64.62 2d49 h THR 39 Cb 0.00 2.27 -0.20 0.00 -1.74 0.00 0.00 68.15 68.47 2d49 h THR 39 CO 0.00 0.35 -0.80 -0.55 0.37 0.00 0.00 175.52 174.89 2d49 s SER 40 N -6.31 3.86 0.62 4.18 0.15 -1.24 -5.00 113.70 109.95 2d49 s SER 40 Ca 0.04 -0.47 0.31 0.00 0.70 0.00 0.00 55.95 56.53 2d49 s SER 40 Cb 0.07 -0.60 1.76 0.00 -1.71 0.00 0.00 66.02 65.54 2d49 s SER 40 CO 0.73 0.22 2.09 0.44 1.20 0.00 0.00 173.24 177.93 2d49 h ASP 41 N 4.19 0.00 -0.53 5.45 3.32 -1.95 -2.17 116.42 124.73 2d49 h ASP 41 Ca -0.49 0.00 0.11 0.00 0.02 0.00 0.00 57.03 56.67 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 0.47 0.00 -0.02 0.58 -1.72 0.00 0.00 179.24 178.56 2d49 h VAL 42 N 0.00 0.56 -3.27 -1.35 2.07 -1.96 -3.39 116.25 108.90 2d49 h VAL 42 Ca 0.07 -0.03 -0.62 0.00 0.82 0.00 0.00 66.70 66.93 2d49 h VAL 42 Cb 0.50 0.45 -0.16 0.00 -1.52 0.00 0.00 31.29 30.56 2d49 h VAL 42 CO -0.00 0.02 -0.57 0.26 0.02 0.00 0.00 177.57 177.29 2d49 s TRP 43 N -6.17 3.23 0.01 1.57 0.52 -0.82 -3.17 118.94 114.11 2d49 s TRP 43 Ca -0.14 0.05 0.04 0.00 0.02 0.00 0.00 56.10 56.07 2d49 s TRP 43 Cb 0.17 -2.05 -0.01 0.00 -1.15 0.00 0.00 33.47 30.42 2d49 s TRP 43 CO 0.73 0.16 -0.13 0.00 0.02 0.00 0.00 176.95 177.73 2d49 s ALA 44 N 0.29 1.06 -0.06 0.98 0.00 -1.02 -3.65 121.76 119.37 2d49 s ALA 44 Ca 0.03 -0.63 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 2d49 s ALA 44 Cb -0.12 -0.23 -0.07 0.00 0.00 0.00 0.00 23.12 22.69 2d49 s ALA 44 CO 0.00 0.24 2.04 0.16 0.00 0.00 0.00 175.76 178.20 2d49 s ASP 45 N -0.58 6.10 -0.18 0.00 -4.77 -1.26 -0.39 116.67 115.60 2d49 s ASP 45 Ca 0.03 2.35 0.17 0.00 -3.30 0.00 0.00 52.55 51.81 2d49 s ASP 45 Cb -0.06 -2.52 0.52 0.00 -1.09 0.00 0.00 42.92 39.77 2d49 s ASP 45 CO 0.00 -1.38 1.41 1.17 0.70 0.00 0.00 175.17 177.07 2d49 n LYS 46 N 7.97 2.85 -1.35 2.11 3.00 0.86 -4.89 118.16 128.71 2d49 n LYS 46 Ca 0.23 -2.84 0.00 0.00 -0.00 0.00 0.00 58.31 55.71 2d49 n LYS 46 Cb 0.43 -1.83 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 -0.55 0.34 3.51 3.14 0.00 -1.23 -4.95 105.19 105.46 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 2.81 -0.16 4.61 0.00 -1.26 -1.54 121.76 125.22 2d49 s ALA 48 Ca 0.00 -1.74 -0.05 0.00 0.00 0.00 0.00 51.96 50.17 2d49 s ALA 48 Cb 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2d49 s ALA 48 CO 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 175.76 176.08 2d49 s GLY 50 N 0.32 1.55 -0.15 0.00 0.00 -1.06 -4.67 107.32 103.30 2d49 s GLY 50 Ca -0.02 -1.00 -0.06 0.00 0.00 0.00 0.00 44.72 43.64 2d49 s GLY 50 CO 0.02 1.87 0.08 -0.51 0.00 0.00 0.00 173.10 174.56 2d49 s THR 51 N 3.47 4.95 0.00 0.90 -4.23 -1.26 -4.26 115.64 115.21 2d49 s THR 51 Ca 0.31 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.83 2d49 s THR 51 Cb -0.12 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.54 2d49 s THR 51 CO 0.23 0.54 0.00 0.61 -0.54 0.00 0.00 174.62 175.46 2d49 n GLY 52 N 2.79 2.46 0.00 3.99 0.00 -1.26 -5.02 105.19 108.14 2d49 n GLY 52 Ca -0.18 0.22 0.05 0.00 0.00 0.00 0.00 46.02 46.11 2d49 n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18