#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 2.25 -0.29 0.00 2.01 -1.26 -5.07 115.64 113.28 2d49 s THR 2 Ca 0.00 -1.86 -0.25 0.00 0.31 0.00 0.00 61.69 59.89 2d49 s THR 2 Cb 0.00 -2.44 0.18 0.00 0.01 0.00 0.00 72.50 70.25 2d49 s THR 2 CO 0.00 -0.22 1.40 0.00 -0.69 0.00 0.00 174.62 175.11 2d49 s ALA 4 N -0.06 3.52 0.24 0.00 0.00 -1.26 -5.02 121.76 119.17 2d49 s ALA 4 Ca 0.07 -0.42 -0.31 0.00 0.00 0.00 0.00 51.96 51.29 2d49 s ALA 4 Cb -0.05 -2.45 -0.12 0.00 0.00 0.00 0.00 23.12 20.50 2d49 s ALA 4 CO -0.14 0.16 1.66 -2.37 0.00 0.00 0.00 175.76 175.07 2d49 n THR 5 N -1.04 0.38 -1.49 0.00 5.66 -1.26 -2.84 114.28 113.67 2d49 n THR 5 Ca -0.00 -0.09 -0.39 0.00 -3.05 0.00 0.00 64.05 60.51 2d49 n THR 5 Cb 0.54 -1.93 0.03 0.00 -1.55 0.00 0.00 70.33 67.41 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 3.25 -0.95 -1.55 1.79 0.00 -1.26 -1.95 120.51 119.84 2d49 n ALA 6 Ca 0.13 0.06 -0.41 0.00 0.00 0.00 0.00 53.44 53.22 2d49 n ALA 6 Cb 0.35 -1.87 0.02 0.00 0.00 0.00 0.00 19.45 17.95 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 -1.33 0.44 -3.66 0.00 -0.00 -0.94 -4.64 117.44 107.31 2d49 n TRP 7 Ca 0.11 0.55 -0.26 0.00 -0.00 0.00 0.00 57.50 57.91 2d49 n TRP 7 Cb 0.44 -2.12 -0.17 0.00 -0.00 0.00 0.00 31.31 29.47 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 -0.90 2.39 0.40 5.87 0.15 -1.26 -4.99 113.70 115.36 2d49 s SER 8 Ca 0.65 -0.60 0.28 0.00 0.70 0.00 0.00 55.95 56.98 2d49 s SER 8 Cb -0.55 -0.36 1.40 0.00 -1.71 0.00 0.00 66.02 64.81 2d49 s SER 8 CO 0.56 -0.32 1.85 0.77 1.20 0.00 0.00 173.24 177.30 2d49 h SER 9 N 8.36 0.00 -0.65 5.45 4.64 -1.94 -1.46 113.55 127.95 2d49 h SER 9 Ca -0.15 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.92 2d49 h SER 9 Cb 1.14 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.08 2d49 h SER 9 CO 0.29 0.00 0.31 -1.54 -0.87 0.00 0.00 176.83 175.03 2d49 n SER 10 N -2.51 4.04 -3.30 4.97 3.41 -1.26 -4.44 113.62 114.53 2d49 n SER 10 Ca -0.01 -3.05 0.02 0.00 -0.26 0.00 0.00 58.87 55.57 2d49 n SER 10 Cb 0.12 -0.72 -0.02 0.00 -0.26 0.00 0.00 64.21 63.33 2d49 n SER 10 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2d49 s SER 11 N -0.72 -1.24 0.21 4.04 0.15 -0.55 -5.15 113.70 110.44 2d49 s SER 11 Ca 0.44 1.04 -0.30 0.00 0.70 0.00 0.00 55.95 57.83 2d49 s SER 11 Cb 0.36 2.15 -0.08 0.00 -1.71 0.00 0.00 66.02 66.73 2d49 s SER 11 CO 0.10 -0.25 1.21 0.54 1.20 0.00 0.00 173.24 176.04 2d49 s VAL 12 N 2.85 3.46 0.13 4.45 0.11 -1.26 -4.71 120.40 125.43 2d49 s VAL 12 Ca 0.13 1.26 0.05 0.00 -2.93 0.00 0.00 61.98 60.49 2d49 s VAL 12 Cb -0.14 -3.80 -0.04 0.00 -1.53 0.00 0.00 36.38 30.87 2d49 s VAL 12 CO -0.20 0.22 0.07 -0.31 -3.33 0.00 0.00 175.10 171.55 2d49 s TYR 13 N -0.22 3.09 0.05 1.54 2.02 -0.89 -4.98 117.35 117.96 2d49 s TYR 13 Ca 0.52 -0.01 0.00 0.00 -0.37 0.00 0.00 57.07 57.22 2d49 s TYR 13 Cb -0.33 -1.53 -0.00 0.00 -0.40 0.00 0.00 41.96 39.69 2d49 s TYR 13 CO 0.38 0.51 0.01 0.25 -1.57 0.00 0.00 175.55 175.14 2d49 n THR 14 N 0.10 0.00 -1.68 -0.71 -2.24 -1.26 -0.43 114.28 108.07 2d49 n THR 14 Ca -0.09 -0.30 -0.52 0.00 -2.27 0.00 0.00 64.05 60.88 2d49 n THR 14 Cb 0.53 0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.80 2d49 n THR 14 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2d49 n ASN 15 N -1.67 2.76 0.00 3.42 4.13 -1.26 -0.10 115.26 122.54 2d49 n ASN 15 Ca -0.01 1.05 0.00 0.00 1.68 0.00 0.00 54.58 57.29 2d49 n ASN 15 Cb 0.08 -1.27 0.00 0.00 -1.54 0.00 0.00 39.78 37.05 2d49 n ASN 15 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2d49 n GLY 16 N 3.92 3.33 3.58 7.41 0.00 -1.26 -4.98 105.19 117.19 2d49 n GLY 16 Ca 0.23 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.67 1.03 3.69 -0.02 0.00 0.86 -4.79 105.19 104.29 2d49 n GLY 17 Ca 0.00 0.87 -0.30 0.00 0.00 0.00 0.00 46.02 46.59 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 6.28 4.03 0.27 2.61 2.01 -1.26 -1.70 115.64 127.88 2d49 s THR 18 Ca 1.01 -1.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 2d49 s THR 18 Cb -0.65 -2.93 0.01 0.00 0.01 0.00 0.00 72.50 68.93 2d49 s THR 18 CO 0.47 0.10 0.39 1.33 -0.69 0.00 0.00 174.62 176.21 2d49 n VAL 19 N 0.50 0.00 -4.33 3.82 0.24 0.05 -4.33 118.33 114.28 2d49 n VAL 19 Ca -0.11 -1.32 -0.25 0.00 -2.04 0.00 0.00 64.34 60.62 2d49 n VAL 19 Cb 0.52 0.83 -0.12 0.00 -1.47 0.00 0.00 33.84 33.60 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 -2.65 2.84 -0.30 -1.34 0.15 -0.82 -0.38 113.70 111.20 2d49 s SER 20 Ca 0.22 -0.76 -0.24 0.00 0.70 0.00 0.00 55.95 55.87 2d49 s SER 20 Cb -0.01 -0.17 0.18 0.00 -1.71 0.00 0.00 66.02 64.31 2d49 s SER 20 CO 0.15 0.07 1.36 -0.47 1.20 0.00 0.00 173.24 175.56 2d49 s TYR 21 N -1.38 -0.12 -1.93 3.44 5.04 0.60 -2.20 117.35 120.80 2d49 s TYR 21 Ca 0.12 0.28 0.00 0.00 -2.44 0.00 0.00 57.07 55.02 2d49 s TYR 21 Cb -0.09 0.41 0.00 0.00 0.35 0.00 0.00 41.96 42.63 2d49 s TYR 21 CO 0.06 -0.06 0.00 -1.71 -1.34 0.00 0.00 175.55 172.50 2d49 n ASN 22 N 1.91 -5.28 0.00 4.32 2.85 -1.26 -0.96 115.26 116.84 2d49 n ASN 22 Ca -0.12 0.39 0.00 0.00 -0.11 0.00 0.00 54.58 54.74 2d49 n ASN 22 Cb 0.57 -4.42 0.00 0.00 1.24 0.00 0.00 39.78 37.17 2d49 n ASN 22 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2d49 n GLY 23 N -0.73 1.39 1.46 8.20 0.00 -1.26 -5.02 105.19 109.23 2d49 n GLY 23 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 1.28 -4.86 1.61 3.00 -0.13 -0.77 116.66 114.79 2d49 n ARG 24 Ca 0.00 -1.37 -0.31 0.00 -0.01 0.00 0.00 57.85 56.16 2d49 n ARG 24 Cb 0.00 0.22 -0.17 0.00 0.00 0.00 0.00 32.46 32.51 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 -2.20 2.90 -0.16 0.55 0.01 -0.94 -0.29 114.94 114.81 2d49 s ASN 25 Ca 0.08 -0.54 -0.06 0.00 -0.71 0.00 0.00 52.86 51.64 2d49 s ASN 25 Cb -0.01 -1.33 -0.04 0.00 0.41 0.00 0.00 41.25 40.28 2d49 s ASN 25 CO 0.05 0.10 0.03 -0.31 -1.51 0.00 0.00 177.10 175.47 2d49 s TYR 26 N 0.63 3.19 -0.22 2.20 2.02 0.49 -0.12 117.35 125.55 2d49 s TYR 26 Ca -0.13 0.01 -0.03 0.00 -0.37 0.00 0.00 57.07 56.55 2d49 s TYR 26 Cb -0.16 -2.01 -0.00 0.00 -0.40 0.00 0.00 41.96 39.39 2d49 s TYR 26 CO 0.03 0.17 -0.06 0.99 -1.57 0.00 0.00 175.55 175.11 2d49 s THR 27 N 0.16 3.20 1.06 -0.71 2.01 0.55 -0.77 115.64 121.15 2d49 s THR 27 Ca 0.03 -0.57 -0.13 0.00 0.31 0.00 0.00 61.69 61.33 2d49 s THR 27 Cb -0.13 -2.46 0.22 0.00 0.01 0.00 0.00 72.50 70.15 2d49 s THR 27 CO 0.01 0.42 1.08 0.00 -0.69 0.00 0.00 174.62 175.44 2d49 s ALA 28 N 1.45 0.52 -0.01 7.40 0.00 -0.69 -2.46 121.76 127.97 2d49 s ALA 28 Ca 0.05 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 51.71 2d49 s ALA 28 Cb -0.14 -3.14 -0.07 0.00 0.00 0.00 0.00 23.12 19.78 2d49 s ALA 28 CO -0.04 -3.15 0.08 1.17 0.00 0.00 0.00 175.76 173.81 2d49 n LYS 29 N -4.40 0.75 -2.84 0.00 3.00 -1.04 -4.19 118.16 109.44 2d49 n LYS 29 Ca 0.04 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.31 58.31 2d49 n LYS 29 Cb 0.57 -1.11 0.01 0.00 0.00 0.00 0.00 35.03 34.50 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 -1.75 -0.86 -1.68 5.64 2.14 -1.26 -4.58 117.44 115.09 2d49 n TRP 30 Ca -0.02 -0.64 -0.53 0.00 2.07 0.00 0.00 57.50 58.38 2d49 n TRP 30 Cb 0.22 0.31 -0.06 0.00 -0.81 0.00 0.00 31.31 30.96 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 -0.43 2.06 -3.78 -2.67 -0.00 -1.26 -4.16 117.44 107.21 2d49 n TRP 31 Ca -0.00 0.38 -0.13 0.00 -0.00 0.00 0.00 57.50 57.75 2d49 n TRP 31 Cb 0.32 -2.50 -0.14 0.00 -0.00 0.00 0.00 31.31 29.00 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 3.00 -0.03 0.51 5.87 -1.32 0.43 -4.98 115.64 119.12 2d49 s THR 32 Ca 0.93 0.09 -0.03 0.00 -1.21 0.00 0.00 61.69 61.48 2d49 s THR 32 Cb -0.92 -0.23 0.11 0.00 -1.51 0.00 0.00 72.50 69.95 2d49 s THR 32 CO 0.57 0.04 0.69 0.00 -2.21 0.00 0.00 174.62 173.71 2d49 n GLN 33 N 3.65 -0.11 -1.48 7.08 1.13 -1.26 -2.10 117.38 124.29 2d49 n GLN 33 Ca -0.20 -1.62 -0.44 0.00 -1.94 0.00 0.00 57.00 52.80 2d49 n GLN 33 Cb 0.55 -0.54 -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 1.49 -3.85 1.08 0.23 -1.26 -4.88 115.26 104.97 2d49 n ASN 34 Ca 0.11 0.08 -0.12 0.00 -0.53 0.00 0.00 54.58 54.12 2d49 n ASN 34 Cb 0.37 -1.22 -0.12 0.00 -2.08 0.00 0.00 39.78 36.73 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 7.74 0.26 -0.18 -3.83 2.02 -1.26 -5.07 118.70 118.38 2d49 s GLU 35 Ca 1.16 -0.04 -0.29 0.00 0.02 0.00 0.00 54.97 55.82 2d49 s GLU 35 Cb -0.83 0.11 -0.05 0.00 0.10 0.00 0.00 34.13 33.46 2d49 s GLU 35 CO 0.43 -0.05 2.05 0.50 0.02 0.00 0.00 175.26 178.22 2d49 s ARG 36 N -0.45 3.44 0.45 1.61 6.06 -1.26 -4.95 118.95 123.86 2d49 s ARG 36 Ca -0.05 2.05 -0.23 0.00 -2.50 0.00 0.00 55.73 54.99 2d49 s ARG 36 Cb -0.03 -4.27 -0.07 0.00 0.06 0.00 0.00 34.95 30.63 2d49 s ARG 36 CO 0.00 -1.74 1.16 -1.25 -2.50 0.00 0.00 175.30 170.98 2d49 s PRO 37 N 5.69 3.78 0.00 5.12 0.04 -1.26 -3.23 135.00 145.13 2d49 s PRO 37 Ca 0.92 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.74 2d49 s PRO 37 Cb -0.33 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.78 2d49 s PRO 37 CO 0.36 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.27 2d49 n GLY 38 N 0.45 3.24 0.05 0.56 0.00 -1.26 -4.77 105.19 103.46 2d49 n GLY 38 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.72 0.61 -3.97 2.61 -1.04 -1.20 -4.96 114.28 104.61 2d49 n THR 39 Ca 0.00 -0.59 -0.34 0.00 -2.04 0.00 0.00 64.05 61.08 2d49 n THR 39 Cb 0.00 -0.24 -0.06 0.00 -1.82 0.00 0.00 70.33 68.21 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 -4.67 6.15 0.56 8.00 0.01 -1.23 -4.98 113.70 117.53 2d49 s SER 40 Ca -0.08 0.31 0.37 0.00 1.31 0.00 0.00 55.95 57.87 2d49 s SER 40 Cb 0.09 -1.90 1.89 0.00 0.21 0.00 0.00 66.02 66.31 2d49 s SER 40 CO 0.75 0.30 2.12 0.44 0.41 0.00 0.00 173.24 177.27 2d49 h ASP 41 N 4.21 0.00 -0.76 2.44 5.19 -1.95 -2.31 116.42 123.23 2d49 h ASP 41 Ca -0.50 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.89 2d49 h ASP 41 Cb 1.20 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.67 2d49 h ASP 41 CO 0.64 0.00 0.41 1.62 -3.12 0.00 0.00 179.24 178.79 2d49 h VAL 42 N 0.00 1.23 -3.62 -1.35 3.04 -1.96 -3.40 116.25 110.19 2d49 h VAL 42 Ca 0.00 -0.61 -0.63 0.00 -1.01 0.00 0.00 66.70 64.45 2d49 h VAL 42 Cb 0.14 0.20 -0.17 0.00 -2.01 0.00 0.00 31.29 29.45 2d49 h VAL 42 CO 0.00 0.27 -0.55 0.26 -1.01 0.00 0.00 177.57 176.54 2d49 s TRP 43 N -5.69 3.22 -0.06 3.17 0.52 -0.87 -2.48 118.94 116.75 2d49 s TRP 43 Ca -0.12 0.02 0.02 0.00 0.02 0.00 0.00 56.10 56.04 2d49 s TRP 43 Cb 0.17 -2.25 0.02 0.00 -1.15 0.00 0.00 33.47 30.25 2d49 s TRP 43 CO 0.81 -0.07 -0.09 0.00 0.02 0.00 0.00 176.95 177.61 2d49 s ALA 44 N 1.23 1.09 -0.02 0.98 0.00 -1.03 -4.34 121.76 119.67 2d49 s ALA 44 Ca 0.06 -0.32 -0.33 0.00 0.00 0.00 0.00 51.96 51.37 2d49 s ALA 44 Cb -0.14 -0.56 -0.12 0.00 0.00 0.00 0.00 23.12 22.30 2d49 s ALA 44 CO 0.05 0.02 1.85 -3.47 0.00 0.00 0.00 175.76 174.22 2d49 n ASP 45 N 4.00 3.55 -0.85 0.00 2.03 -1.26 -0.33 116.55 123.69 2d49 n ASP 45 Ca -0.22 0.98 0.09 0.00 0.52 0.00 0.00 54.79 56.15 2d49 n ASP 45 Cb 0.51 -1.41 0.25 0.00 -0.72 0.00 0.00 41.12 39.75 2d49 n ASP 45 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2d49 n LYS 46 N 6.26 2.84 -1.23 -0.67 3.00 0.82 -4.86 118.16 124.33 2d49 n LYS 46 Ca 0.21 -2.82 0.00 0.00 -0.00 0.00 0.00 58.31 55.70 2d49 n LYS 46 Cb 0.31 -1.82 0.00 0.00 0.00 0.00 0.00 35.03 33.52 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 0.50 3.51 3.14 0.00 -1.23 -4.97 105.19 105.59 2d49 n GLY 47 Ca 0.21 -1.62 -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 -2.22 121.76 124.55 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 -0.43 -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 0.00 175.76 176.08 2d49 s GLY 50 N 0.31 0.07 0.03 0.00 0.00 -1.06 -4.73 107.32 101.95 2d49 s GLY 50 Ca -0.01 -1.05 0.07 0.00 0.00 0.00 0.00 44.72 43.73 2d49 s GLY 50 CO 0.02 3.56 -0.20 -0.51 0.00 0.00 0.00 173.10 175.96 2d49 s THR 51 N 10.19 2.60 0.30 0.90 -4.23 -1.26 -4.91 115.64 119.23 2d49 s THR 51 Ca 0.72 -1.19 0.08 0.00 -1.18 0.00 0.00 61.69 60.12 2d49 s THR 51 Cb -0.10 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.65 2d49 s THR 51 CO 0.09 0.38 0.14 -0.83 -0.54 0.00 0.00 174.62 173.87 2d49 s GLY 52 N -1.27 1.71 0.00 3.99 0.00 -1.26 -5.20 107.32 105.28 2d49 s GLY 52 Ca 0.13 -1.65 0.04 0.00 0.00 0.00 0.00 44.72 43.24 2d49 s GLY 52 CO 0.04 -1.65 0.73 -1.14 0.00 0.00 0.00 173.10 171.08