#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 2.37 -0.29 0.00 2.01 -1.26 -5.08 115.64 113.38 2d49 s THR 2 Ca 0.00 -1.18 -0.28 0.00 0.31 0.00 0.00 61.69 60.54 2d49 s THR 2 Cb 0.00 -2.19 0.20 0.00 0.01 0.00 0.00 72.50 70.51 2d49 s THR 2 CO 0.00 0.25 1.41 0.00 -0.69 0.00 0.00 174.62 175.59 2d49 s ALA 4 N -0.64 3.90 0.06 0.00 0.00 -1.26 -5.03 121.76 118.79 2d49 s ALA 4 Ca 0.09 -0.92 -0.31 0.00 0.00 0.00 0.00 51.96 50.82 2d49 s ALA 4 Cb -0.02 -1.89 -0.10 0.00 0.00 0.00 0.00 23.12 21.10 2d49 s ALA 4 CO -0.11 0.49 1.91 -2.37 0.00 0.00 0.00 175.76 175.67 2d49 n THR 5 N -0.58 0.57 -1.57 0.00 5.66 -1.26 -3.29 114.28 113.81 2d49 n THR 5 Ca -0.06 -0.10 -0.43 0.00 -3.05 0.00 0.00 64.05 60.41 2d49 n THR 5 Cb 0.54 -2.19 -0.00 0.00 -1.55 0.00 0.00 70.33 67.13 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 6.60 -0.35 -1.54 1.79 0.00 -1.26 -2.03 120.51 123.72 2d49 n ALA 6 Ca 0.19 0.29 -0.40 0.00 0.00 0.00 0.00 53.44 53.53 2d49 n ALA 6 Cb 0.38 -1.99 0.03 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 -0.24 0.25 -4.29 0.00 -0.00 -0.94 -4.71 117.44 107.51 2d49 n TRP 7 Ca 0.10 0.51 -0.18 0.00 -0.00 0.00 0.00 57.50 57.93 2d49 n TRP 7 Cb 0.36 -2.09 -0.15 0.00 -0.00 0.00 0.00 31.31 29.44 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 0.91 0.08 5.87 0.15 -1.26 -5.03 113.70 113.41 2d49 s SER 8 Ca 0.67 -0.15 0.08 0.00 0.70 0.00 0.00 55.95 57.26 2d49 s SER 8 Cb -0.51 -0.10 -0.22 0.00 -1.71 0.00 0.00 66.02 63.49 2d49 s SER 8 CO 0.54 0.09 1.13 0.77 1.20 0.00 0.00 173.24 176.97 2d49 h SER 9 N 5.93 0.00 -0.70 5.45 4.64 -1.97 -3.27 113.55 123.63 2d49 h SER 9 Ca -0.30 -0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.73 2d49 h SER 9 Cb 1.18 -0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.10 2d49 h SER 9 CO 0.50 1.00 0.37 -1.20 -0.87 0.00 0.00 176.83 176.63 2d49 n SER 10 N -3.28 3.96 -3.37 4.97 7.64 -1.26 -4.42 113.62 117.87 2d49 n SER 10 Ca -0.04 -3.13 -0.17 0.00 1.01 0.00 0.00 58.87 56.55 2d49 n SER 10 Cb 0.97 -0.74 -0.08 0.00 -1.01 0.00 0.00 64.21 63.35 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 1.29 0.24 6.43 0.15 -1.24 -5.13 113.70 114.67 2d49 s SER 11 Ca 0.45 -1.26 -0.31 0.00 0.70 0.00 0.00 55.95 55.54 2d49 s SER 11 Cb 0.37 0.57 -0.11 0.00 -1.71 0.00 0.00 66.02 65.14 2d49 s SER 11 CO 0.10 -0.31 1.56 0.54 1.20 0.00 0.00 173.24 176.33 2d49 s VAL 12 N 1.78 2.39 0.47 4.45 0.11 -1.26 -4.66 120.40 123.68 2d49 s VAL 12 Ca 0.14 0.31 0.08 0.00 -2.93 0.00 0.00 61.98 59.57 2d49 s VAL 12 Cb -0.15 -3.20 0.01 0.00 -1.53 0.00 0.00 36.38 31.52 2d49 s VAL 12 CO -0.14 0.04 0.47 -0.31 -3.33 0.00 0.00 175.10 171.83 2d49 s TYR 13 N 0.44 2.26 0.09 1.54 2.02 -0.80 -4.96 117.35 117.94 2d49 s TYR 13 Ca 0.65 -0.60 -0.00 0.00 -0.37 0.00 0.00 57.07 56.75 2d49 s TYR 13 Cb -0.45 -2.14 0.00 0.00 -0.40 0.00 0.00 41.96 38.97 2d49 s TYR 13 CO 0.40 -0.40 0.11 0.25 -1.57 0.00 0.00 175.55 174.35 2d49 n THR 14 N -1.74 0.00 -1.67 -0.71 -2.24 -1.25 -0.38 114.28 106.30 2d49 n THR 14 Ca 0.05 -0.48 -0.47 0.00 -2.27 0.00 0.00 64.05 60.88 2d49 n THR 14 Cb 0.62 0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 69.09 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 -2.13 3.05 0.00 3.42 6.94 -1.22 -0.76 115.26 124.55 2d49 n ASN 15 Ca 0.01 1.07 0.00 0.00 -0.02 0.00 0.00 54.58 55.64 2d49 n ASN 15 Cb 0.15 -1.41 0.00 0.00 -2.36 0.00 0.00 39.78 36.16 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 3.47 3.27 3.60 4.83 0.00 -1.20 -4.86 105.19 114.29 2d49 n GLY 16 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.18 0.52 0.07 -0.02 0.00 0.06 -4.83 107.32 100.93 2d49 s GLY 17 Ca 0.00 0.69 -0.08 0.00 0.00 0.00 0.00 44.72 45.33 2d49 s GLY 17 CO 0.00 3.74 0.36 -1.59 0.00 0.00 0.00 173.10 175.61 2d49 s THR 18 N 8.23 5.17 0.35 0.90 2.01 -1.26 -2.27 115.64 128.78 2d49 s THR 18 Ca 0.98 0.30 -0.05 0.00 0.31 0.00 0.00 61.69 63.23 2d49 s THR 18 Cb -0.31 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.59 2d49 s THR 18 CO 0.35 0.27 0.54 0.68 -0.69 0.00 0.00 174.62 175.77 2d49 s VAL 19 N -1.41 0.00 0.14 3.82 -7.23 0.43 -4.24 120.40 111.91 2d49 s VAL 19 Ca 0.32 -1.48 0.10 0.00 -1.81 0.00 0.00 61.98 59.12 2d49 s VAL 19 Cb -0.13 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 2d49 s VAL 19 CO 0.18 0.00 -0.25 -0.55 -0.31 0.00 0.00 175.10 174.17 2d49 s SER 20 N -3.21 3.18 -0.30 4.85 0.15 -0.86 -0.42 113.70 117.10 2d49 s SER 20 Ca 0.28 -0.76 -0.23 0.00 0.70 0.00 0.00 55.95 55.93 2d49 s SER 20 Cb -0.01 -0.21 0.19 0.00 -1.71 0.00 0.00 66.02 64.27 2d49 s SER 20 CO 0.19 0.14 1.35 -0.47 1.20 0.00 0.00 173.24 175.65 2d49 s TYR 21 N -1.22 -0.12 -1.93 3.44 5.04 0.59 -2.20 117.35 120.95 2d49 s TYR 21 Ca 0.14 0.28 0.00 0.00 -2.44 0.00 0.00 57.07 55.05 2d49 s TYR 21 Cb -0.09 0.39 0.00 0.00 0.35 0.00 0.00 41.96 42.60 2d49 s TYR 21 CO 0.06 -0.06 0.00 0.09 -1.34 0.00 0.00 175.55 174.30 2d49 n ASN 22 N 2.00 -5.27 0.00 4.32 3.02 -1.26 -1.12 115.26 116.95 2d49 n ASN 22 Ca -0.12 0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 2d49 n ASN 22 Cb 0.57 -4.41 0.00 0.00 -0.61 0.00 0.00 39.78 35.33 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 2.15 1.48 7.41 0.00 -1.26 -5.02 105.19 109.22 2d49 n GLY 23 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 1.06 -4.81 1.61 3.00 -0.27 -0.39 116.66 114.85 2d49 n ARG 24 Ca 0.00 -1.28 -0.30 0.00 -0.01 0.00 0.00 57.85 56.26 2d49 n ARG 24 Cb 0.00 0.06 -0.17 0.00 0.00 0.00 0.00 32.46 32.35 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 -2.29 2.77 0.05 0.55 0.01 -1.05 -0.30 114.94 114.67 2d49 s ASN 25 Ca 0.16 -0.51 0.04 0.00 -0.71 0.00 0.00 52.86 51.84 2d49 s ASN 25 Cb -0.01 -1.27 -0.04 0.00 0.41 0.00 0.00 41.25 40.34 2d49 s ASN 25 CO 0.10 0.09 -0.02 -0.31 -1.51 0.00 0.00 177.10 175.45 2d49 s TYR 26 N 0.66 2.98 -0.09 2.20 1.51 0.44 -0.22 117.35 124.84 2d49 s TYR 26 Ca -0.12 -0.00 0.01 0.00 -1.01 0.00 0.00 57.07 55.94 2d49 s TYR 26 Cb -0.16 -1.58 0.02 0.00 -0.11 0.00 0.00 41.96 40.12 2d49 s TYR 26 CO 0.03 0.45 -0.09 0.95 -1.11 0.00 0.00 175.55 175.78 2d49 s THR 27 N -1.18 1.00 0.97 -0.71 -4.23 0.46 -0.43 115.64 111.52 2d49 s THR 27 Ca 0.22 -0.33 -0.12 0.00 -1.18 0.00 0.00 61.69 60.28 2d49 s THR 27 Cb -0.11 -0.99 0.17 0.00 1.34 0.00 0.00 72.50 72.91 2d49 s THR 27 CO 0.14 0.35 1.11 0.00 -0.54 0.00 0.00 174.62 175.68 2d49 s ALA 28 N 1.30 1.29 -0.22 3.99 0.00 -0.96 -2.43 121.76 124.72 2d49 s ALA 28 Ca -0.03 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.51 2d49 s ALA 28 Cb -0.14 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 2d49 s ALA 28 CO -0.03 -2.63 0.20 1.17 0.00 0.00 0.00 175.76 174.47 2d49 n LYS 29 N -4.02 5.26 -3.10 0.00 3.00 -1.16 -3.28 118.16 114.87 2d49 n LYS 29 Ca 0.06 -0.05 0.02 0.00 -0.00 0.00 0.00 58.31 58.34 2d49 n LYS 29 Cb 0.58 -0.72 0.01 0.00 0.00 0.00 0.00 35.03 34.90 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 -1.01 -0.07 -1.69 5.64 2.14 -1.26 -4.29 117.44 116.90 2d49 n TRP 30 Ca 0.01 -0.30 -0.54 0.00 2.07 0.00 0.00 57.50 58.73 2d49 n TRP 30 Cb 0.07 0.13 -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 -0.54 2.13 -3.83 -2.67 -0.00 -1.26 -3.41 117.44 107.86 2d49 n TRP 31 Ca 0.03 0.34 -0.14 0.00 -0.00 0.00 0.00 57.50 57.73 2d49 n TRP 31 Cb 0.32 -2.53 -0.15 0.00 -0.00 0.00 0.00 31.31 28.94 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 3.97 -0.00 0.49 5.87 -1.32 0.49 -4.94 115.64 120.19 2d49 s THR 32 Ca 0.97 0.13 -0.03 0.00 -1.21 0.00 0.00 61.69 61.56 2d49 s THR 32 Cb -0.94 -0.09 0.10 0.00 -1.51 0.00 0.00 72.50 70.06 2d49 s THR 32 CO 0.60 0.07 0.67 0.00 -2.21 0.00 0.00 174.62 173.75 2d49 n GLN 33 N 3.84 -0.07 -1.46 7.08 1.13 -1.26 -1.89 117.38 124.75 2d49 n GLN 33 Ca -0.23 -1.58 -0.46 0.00 -1.94 0.00 0.00 57.00 52.79 2d49 n GLN 33 Cb 0.53 -0.52 -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 -1.71 -1.44 0.00 0.00 177.06 173.91 2d49 n ASN 34 N -3.08 1.42 -3.75 1.08 2.85 -1.26 -4.88 115.26 107.63 2d49 n ASN 34 Ca 0.10 0.18 -0.13 0.00 -0.11 0.00 0.00 54.58 54.62 2d49 n ASN 34 Cb 0.36 -1.18 -0.10 0.00 1.24 0.00 0.00 39.78 40.10 2d49 n ASN 34 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2d49 s GLU 35 N 7.49 0.47 -0.18 1.20 2.02 -1.26 -5.10 118.70 123.34 2d49 s GLU 35 Ca 1.17 0.35 -0.29 0.00 0.02 0.00 0.00 54.97 56.22 2d49 s GLU 35 Cb -0.92 0.22 -0.05 0.00 0.10 0.00 0.00 34.13 33.48 2d49 s GLU 35 CO 0.46 -0.08 2.04 1.03 0.02 0.00 0.00 175.26 178.74 2d49 s ARG 36 N -0.13 3.44 0.43 1.61 0.52 -1.26 -4.95 118.95 118.61 2d49 s ARG 36 Ca -0.03 2.02 -0.24 0.00 -0.52 0.00 0.00 55.73 56.97 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 -1.75 1.17 -1.25 0.02 0.00 0.00 175.30 173.51 2d49 s PRO 37 N 5.68 3.88 0.00 3.54 0.04 -1.26 -3.37 135.00 143.51 2d49 s PRO 37 Ca 0.92 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.78 2d49 s PRO 37 Cb -0.33 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.69 2d49 s PRO 37 CO 0.35 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 177.34 2d49 n GLY 38 N 0.53 2.48 0.14 0.56 0.00 -1.24 -4.74 105.19 102.92 2d49 n GLY 38 Ca 0.06 -0.41 0.03 0.00 0.00 0.00 0.00 46.02 45.70 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 0.75 -3.70 2.61 2.02 -1.84 -3.45 112.91 109.29 2d49 h THR 39 Ca 0.00 -2.09 -0.67 0.00 0.77 0.00 0.00 66.41 64.41 2d49 h THR 39 Cb 0.00 2.33 -0.18 0.00 -1.74 0.00 0.00 68.15 68.56 2d49 h THR 39 CO 0.00 0.43 -0.74 -0.94 0.37 0.00 0.00 175.52 174.63 2d49 s SER 40 N -6.33 4.31 0.61 4.18 1.04 -1.24 -5.00 113.70 111.27 2d49 s SER 40 Ca 0.03 -0.31 0.30 0.00 0.48 0.00 0.00 55.95 56.46 2d49 s SER 40 Cb 0.08 -0.86 1.70 0.00 0.10 0.00 0.00 66.02 67.03 2d49 s SER 40 CO 0.75 0.24 2.06 -0.78 0.98 0.00 0.00 173.24 176.50 2d49 h ASP 41 N 4.23 0.00 -0.51 7.02 3.58 -1.95 -2.10 116.42 126.68 2d49 h ASP 41 Ca -0.48 0.00 0.10 0.00 0.42 0.00 0.00 57.03 57.07 2d49 h ASP 41 Cb 1.16 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.12 2d49 h ASP 41 CO 0.51 0.00 -0.04 0.58 -2.88 0.00 0.00 179.24 177.42 2d49 h VAL 42 N 0.00 0.56 -3.28 2.25 2.07 -1.95 -3.39 116.25 112.50 2d49 h VAL 42 Ca 0.08 -0.03 -0.61 0.00 0.82 0.00 0.00 66.70 66.96 2d49 h VAL 42 Cb 0.58 0.47 -0.16 0.00 -1.52 0.00 0.00 31.29 30.67 2d49 h VAL 42 CO -0.00 0.01 -0.56 0.26 0.02 0.00 0.00 177.57 177.31 2d49 s TRP 43 N -6.18 3.26 -0.04 1.57 0.52 -0.79 -2.97 118.94 114.30 2d49 s TRP 43 Ca -0.14 0.09 0.03 0.00 0.02 0.00 0.00 56.10 56.10 2d49 s TRP 43 Cb 0.17 -2.08 0.01 0.00 -1.15 0.00 0.00 33.47 30.41 2d49 s TRP 43 CO 0.72 0.16 -0.11 0.00 0.02 0.00 0.00 176.95 177.75 2d49 s ALA 44 N 0.36 1.05 0.05 0.98 0.00 -1.02 -3.67 121.76 119.52 2d49 s ALA 44 Ca 0.03 -0.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.32 2d49 s ALA 44 Cb -0.12 -0.43 -0.08 0.00 0.00 0.00 0.00 23.12 22.48 2d49 s ALA 44 CO -0.00 0.14 1.75 0.16 0.00 0.00 0.00 175.76 177.81 2d49 s ASP 45 N 0.40 6.55 -0.18 0.00 -4.77 -1.26 -0.40 116.67 117.00 2d49 s ASP 45 Ca -0.08 2.53 0.17 0.00 -3.30 0.00 0.00 52.55 51.87 2d49 s ASP 45 Cb -0.12 -2.55 0.53 0.00 -1.09 0.00 0.00 42.92 39.69 2d49 s ASP 45 CO 0.02 -0.95 1.42 2.29 0.70 0.00 0.00 175.17 178.64 2d49 n LYS 46 N 6.29 2.89 -1.10 2.11 2.85 0.70 -4.91 118.16 126.99 2d49 n LYS 46 Ca 0.17 -2.85 0.00 0.00 -1.05 0.00 0.00 58.31 54.59 2d49 n LYS 46 Cb 0.41 -1.84 0.00 0.00 -0.65 0.00 0.00 35.03 32.94 2d49 n LYS 46 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2d49 n GLY 47 N -0.53 0.47 3.51 2.58 0.00 -1.24 -4.98 105.19 105.00 2d49 n GLY 47 Ca 0.21 -1.58 -0.25 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.52 121.76 124.25 2d49 s ALA 48 Ca 0.00 -1.75 -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 22.65 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 0.33 0.98 0.27 0.00 0.00 -0.79 -4.73 107.32 103.37 2d49 s GLY 50 Ca -0.01 -2.52 0.06 0.00 0.00 0.00 0.00 44.72 42.24 2d49 s GLY 50 CO 0.02 3.09 0.39 -0.51 0.00 0.00 0.00 173.10 176.09 2d49 s THR 51 N 7.20 4.87 0.00 0.90 -4.23 -1.26 -4.78 115.64 118.33 2d49 s THR 51 Ca 0.60 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 2d49 s THR 51 Cb 0.01 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.15 2d49 s THR 51 CO 0.09 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.50 2d49 n GLY 52 N -1.48 2.27 0.00 3.99 0.00 -1.26 -5.21 105.19 103.50 2d49 n GLY 52 Ca -0.06 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2d49 n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18