#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 5.18 -0.27 0.00 2.01 -1.26 -4.99 115.64 116.31 2d49 s THR 2 Ca 0.00 0.67 -0.27 0.00 0.31 0.00 0.00 61.69 62.40 2d49 s THR 2 Cb 0.00 -3.72 0.16 0.00 0.01 0.00 0.00 72.50 68.95 2d49 s THR 2 CO 0.00 0.21 1.25 0.00 -0.69 0.00 0.00 174.62 175.39 2d49 s ALA 4 N -0.38 3.85 0.20 0.00 0.00 -1.26 -5.04 121.76 119.14 2d49 s ALA 4 Ca 0.05 -0.86 -0.32 0.00 0.00 0.00 0.00 51.96 50.83 2d49 s ALA 4 Cb -0.03 -1.96 -0.12 0.00 0.00 0.00 0.00 23.12 21.01 2d49 s ALA 4 CO -0.09 0.46 1.72 -2.37 0.00 0.00 0.00 175.76 175.48 2d49 n THR 5 N -0.63 0.01 -1.48 0.00 5.66 -1.26 -2.97 114.28 113.61 2d49 n THR 5 Ca -0.05 -0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.55 2d49 n THR 5 Cb 0.54 -1.95 0.03 0.00 -1.55 0.00 0.00 70.33 67.39 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 3.99 -1.05 -1.56 1.79 0.00 -1.26 -1.93 120.51 120.49 2d49 n ALA 6 Ca 0.16 0.06 -0.41 0.00 0.00 0.00 0.00 53.44 53.26 2d49 n ALA 6 Cb 0.34 -1.85 0.02 0.00 0.00 0.00 0.00 19.45 17.96 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 -1.30 0.51 -3.66 0.00 -0.00 -1.00 -4.63 117.44 107.37 2d49 n TRP 7 Ca 0.11 0.54 -0.26 0.00 -0.00 0.00 0.00 57.50 57.89 2d49 n TRP 7 Cb 0.44 -2.13 -0.17 0.00 -0.00 0.00 0.00 31.31 29.46 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 -0.91 2.49 0.48 5.87 0.01 -1.26 -4.99 113.70 115.39 2d49 s SER 8 Ca 0.66 -0.66 0.32 0.00 1.31 0.00 0.00 55.95 57.58 2d49 s SER 8 Cb -0.54 -0.36 1.67 0.00 0.21 0.00 0.00 66.02 67.00 2d49 s SER 8 CO 0.55 -0.33 1.99 0.77 0.41 0.00 0.00 173.24 176.63 2d49 h SER 9 N 8.36 0.00 -0.69 2.44 4.64 -1.94 -1.21 113.55 125.15 2d49 h SER 9 Ca -0.15 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.88 2d49 h SER 9 Cb 1.14 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.06 2d49 h SER 9 CO 0.30 0.00 0.36 -1.20 -0.87 0.00 0.00 176.83 175.42 2d49 n SER 10 N -2.67 3.94 -3.19 4.97 7.64 -1.26 -4.45 113.62 118.60 2d49 n SER 10 Ca -0.01 -3.11 0.01 0.00 1.01 0.00 0.00 58.87 56.77 2d49 n SER 10 Cb 0.10 -0.73 -0.02 0.00 -1.01 0.00 0.00 64.21 62.55 2d49 n SER 10 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d49 s SER 11 N -0.75 -1.13 0.22 6.43 0.01 -0.46 -5.14 113.70 112.89 2d49 s SER 11 Ca 0.44 0.51 -0.30 0.00 1.31 0.00 0.00 55.95 57.91 2d49 s SER 11 Cb 0.36 1.92 -0.10 0.00 0.21 0.00 0.00 66.02 68.42 2d49 s SER 11 CO 0.10 -0.28 1.42 0.54 0.41 0.00 0.00 173.24 175.43 2d49 s VAL 12 N 2.79 2.82 0.43 3.43 0.11 -1.26 -4.72 120.40 123.99 2d49 s VAL 12 Ca 0.16 0.66 0.08 0.00 -2.93 0.00 0.00 61.98 59.95 2d49 s VAL 12 Cb -0.13 -3.42 -0.01 0.00 -1.53 0.00 0.00 36.38 31.28 2d49 s VAL 12 CO -0.22 0.09 0.39 -0.31 -3.33 0.00 0.00 175.10 171.72 2d49 s TYR 13 N 0.22 2.60 0.09 1.54 2.02 -0.75 -4.97 117.35 118.11 2d49 s TYR 13 Ca 0.60 -0.52 -0.00 0.00 -0.37 0.00 0.00 57.07 56.78 2d49 s TYR 13 Cb -0.41 -2.16 0.00 0.00 -0.40 0.00 0.00 41.96 39.00 2d49 s TYR 13 CO 0.40 -0.18 0.12 0.25 -1.57 0.00 0.00 175.55 174.58 2d49 n THR 14 N -1.58 0.00 -1.66 -0.71 -2.24 -1.26 -0.38 114.28 106.44 2d49 n THR 14 Ca 0.04 -0.48 -0.46 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 69.10 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 -2.07 2.84 0.00 3.42 6.94 -1.23 -1.46 115.26 123.70 2d49 n ASN 15 Ca 0.00 1.11 0.00 0.00 -0.02 0.00 0.00 54.58 55.68 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 2.77 2.62 3.64 4.83 0.00 -1.24 -4.89 105.19 112.92 2d49 n GLY 16 Ca 0.15 -0.37 -0.47 0.00 0.00 0.00 0.00 46.02 45.33 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 0.61 3.28 -0.02 0.00 -0.54 -4.70 105.19 103.81 2d49 n GLY 17 Ca 0.00 0.55 -0.25 0.00 0.00 0.00 0.00 46.02 46.32 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 0.12 1.73 0.28 2.61 2.01 -1.26 -0.70 115.64 120.43 2d49 s THR 18 Ca 0.73 -1.39 0.03 0.00 0.31 0.00 0.00 61.69 61.37 2d49 s THR 18 Cb -0.74 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.22 2d49 s THR 18 CO 0.48 0.08 0.31 1.33 -0.69 0.00 0.00 174.62 176.13 2d49 n VAL 19 N 1.45 0.00 -4.32 3.82 0.24 0.14 -4.25 118.33 115.40 2d49 n VAL 19 Ca -0.18 -1.78 -0.30 0.00 -2.04 0.00 0.00 64.34 60.04 2d49 n VAL 19 Cb 0.53 0.96 -0.11 0.00 -1.47 0.00 0.00 33.84 33.76 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 -2.87 4.04 -0.30 -1.34 0.15 -0.81 -0.40 113.70 112.18 2d49 s SER 20 Ca 0.29 -0.49 -0.22 0.00 0.70 0.00 0.00 55.95 56.24 2d49 s SER 20 Cb 0.01 -0.65 0.19 0.00 -1.71 0.00 0.00 66.02 63.85 2d49 s SER 20 CO 0.21 0.19 1.32 -0.47 1.20 0.00 0.00 173.24 175.69 2d49 s TYR 21 N -1.14 -0.13 -1.94 3.44 5.04 0.63 -2.36 117.35 120.89 2d49 s TYR 21 Ca 0.19 0.29 0.00 0.00 -2.44 0.00 0.00 57.07 55.10 2d49 s TYR 21 Cb -0.11 0.32 0.00 0.00 0.35 0.00 0.00 41.96 42.53 2d49 s TYR 21 CO 0.11 -0.06 0.00 -1.71 -1.34 0.00 0.00 175.55 172.54 2d49 n ASN 22 N 2.25 -5.28 0.00 4.32 5.15 -1.26 -1.12 115.26 119.31 2d49 n ASN 22 Ca -0.13 0.40 0.00 0.00 -0.60 0.00 0.00 54.58 54.25 2d49 n ASN 22 Cb 0.57 -4.42 0.00 0.00 -0.53 0.00 0.00 39.78 35.40 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 2.13 3.33 8.20 0.00 -1.26 -5.01 105.19 111.86 2d49 n GLY 23 Ca -0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 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 0.76 -4.69 1.61 1.74 -0.28 -0.39 116.66 113.40 2d49 n ARG 24 Ca 0.00 -2.93 -0.33 0.00 -0.77 0.00 0.00 57.85 53.82 2d49 n ARG 24 Cb 0.00 0.20 -0.15 0.00 -1.02 0.00 0.00 32.46 31.49 2d49 n ARG 24 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2d49 s ASN 25 N -3.88 3.76 -0.13 0.55 2.20 -1.05 -0.27 114.94 116.12 2d49 s ASN 25 Ca 0.33 -0.42 -0.05 0.00 -0.94 0.00 0.00 52.86 51.78 2d49 s ASN 25 Cb -0.03 -1.57 -0.04 0.00 -2.00 0.00 0.00 41.25 37.62 2d49 s ASN 25 CO 0.21 0.12 0.06 -0.31 -2.94 0.00 0.00 177.10 174.24 2d49 s TYR 26 N 0.59 3.29 -0.22 1.54 2.02 0.47 -0.28 117.35 124.77 2d49 s TYR 26 Ca -0.09 0.21 -0.03 0.00 -0.37 0.00 0.00 57.07 56.79 2d49 s TYR 26 Cb -0.16 -1.94 -0.00 0.00 -0.40 0.00 0.00 41.96 39.46 2d49 s TYR 26 CO 0.03 0.40 -0.06 0.99 -1.57 0.00 0.00 175.55 175.34 2d49 s THR 27 N -0.41 3.20 1.03 -0.71 2.01 0.59 -0.69 115.64 120.67 2d49 s THR 27 Ca 0.09 -0.57 -0.12 0.00 0.31 0.00 0.00 61.69 61.40 2d49 s THR 27 Cb -0.12 -2.46 0.21 0.00 0.01 0.00 0.00 72.50 70.14 2d49 s THR 27 CO 0.02 0.42 1.07 0.00 -0.69 0.00 0.00 174.62 175.45 2d49 s ALA 28 N 1.45 0.60 -0.02 7.40 0.00 0.12 -2.46 121.76 128.85 2d49 s ALA 28 Ca 0.05 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 51.87 2d49 s ALA 28 Cb -0.14 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 2d49 s ALA 28 CO -0.04 -3.09 0.05 1.63 0.00 0.00 0.00 175.76 174.30 2d49 n LYS 29 N -4.38 1.64 -2.80 0.00 4.01 -0.95 -3.59 118.16 112.08 2d49 n LYS 29 Ca 0.05 -0.02 -0.01 0.00 -0.51 0.00 0.00 58.31 57.82 2d49 n LYS 29 Cb 0.56 -1.09 0.01 0.00 -0.51 0.00 0.00 35.03 33.99 2d49 n LYS 29 CO 0.00 0.00 0.00 -2.67 -1.11 0.00 0.00 177.40 173.62 2d49 n TRP 30 N -1.87 -0.94 -1.66 2.13 2.14 -1.26 -4.20 117.44 111.79 2d49 n TRP 30 Ca -0.03 -0.68 -0.52 0.00 2.07 0.00 0.00 57.50 58.34 2d49 n TRP 30 Cb 0.34 0.33 -0.06 0.00 -0.81 0.00 0.00 31.31 31.11 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 -0.41 1.95 -3.76 -2.67 -0.00 -1.26 -3.52 117.44 107.76 2d49 n TRP 31 Ca -0.01 0.43 -0.13 0.00 -0.00 0.00 0.00 57.50 57.80 2d49 n TRP 31 Cb 0.32 -2.46 -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 2.06 -0.02 0.53 5.87 -1.32 0.48 -4.94 115.64 118.32 2d49 s THR 32 Ca 0.89 0.06 -0.03 0.00 -1.21 0.00 0.00 61.69 61.40 2d49 s THR 32 Cb -0.89 -0.36 0.11 0.00 -1.51 0.00 0.00 72.50 69.84 2d49 s THR 32 CO 0.52 0.02 0.73 0.00 -2.21 0.00 0.00 174.62 173.68 2d49 n GLN 33 N 3.48 -0.14 -1.49 7.08 1.13 -1.26 -1.80 117.38 124.37 2d49 n GLN 33 Ca -0.18 -1.70 -0.43 0.00 -1.94 0.00 0.00 57.00 52.75 2d49 n GLN 33 Cb 0.56 -0.57 -0.08 0.00 0.11 0.00 0.00 30.24 30.25 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 -3.11 1.55 -3.87 1.08 6.94 -1.26 -4.86 115.26 111.73 2d49 n ASN 34 Ca 0.11 0.02 -0.11 0.00 -0.02 0.00 0.00 54.58 54.58 2d49 n ASN 34 Cb 0.39 -1.25 -0.11 0.00 -2.36 0.00 0.00 39.78 36.45 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 7.85 0.30 -0.17 -3.83 2.02 -1.26 -5.07 118.70 118.54 2d49 s GLU 35 Ca 1.15 -0.17 -0.29 0.00 0.02 0.00 0.00 54.97 55.67 2d49 s GLU 35 Cb -0.77 0.13 -0.05 0.00 0.10 0.00 0.00 34.13 33.53 2d49 s GLU 35 CO 0.41 -0.06 2.05 0.50 0.02 0.00 0.00 175.26 178.18 2d49 s ARG 36 N -0.74 3.45 0.46 1.61 3.52 -1.26 -4.95 118.95 121.04 2d49 s ARG 36 Ca -0.08 2.05 -0.23 0.00 -0.13 0.00 0.00 55.73 57.34 2d49 s ARG 36 Cb -0.05 -4.27 -0.07 0.00 -1.56 0.00 0.00 34.95 29.00 2d49 s ARG 36 CO 0.01 -1.73 1.16 -1.25 -0.81 0.00 0.00 175.30 172.67 2d49 s PRO 37 N 5.67 3.77 0.00 5.12 0.04 -1.26 -3.23 135.00 145.11 2d49 s PRO 37 Ca 0.92 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.74 2d49 s PRO 37 Cb -0.33 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 31.79 2d49 s PRO 37 CO 0.36 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 177.27 2d49 n GLY 38 N 0.45 3.29 0.04 0.56 0.00 -1.26 -4.77 105.19 103.50 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 -1.94 0.56 -3.83 2.61 -1.04 -1.20 -4.97 114.28 104.47 2d49 n THR 39 Ca 0.00 -0.53 -0.34 0.00 -2.04 0.00 0.00 64.05 61.14 2d49 n THR 39 Cb 0.00 -0.24 -0.05 0.00 -1.82 0.00 0.00 70.33 68.22 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 -4.46 6.43 0.53 8.00 0.01 -1.22 -4.97 113.70 118.01 2d49 s SER 40 Ca -0.07 0.46 0.35 0.00 1.31 0.00 0.00 55.95 58.01 2d49 s SER 40 Cb 0.08 -2.05 1.81 0.00 0.21 0.00 0.00 66.02 66.06 2d49 s SER 40 CO 0.68 0.27 2.07 0.44 0.41 0.00 0.00 173.24 177.11 2d49 h ASP 41 N 3.98 0.00 -0.68 2.44 3.32 -1.95 -2.25 116.42 121.29 2d49 h ASP 41 Ca -0.50 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.50 2d49 h ASP 41 Cb 1.20 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.71 2d49 h ASP 41 CO 0.67 0.00 0.23 1.62 -1.72 0.00 0.00 179.24 180.04 2d49 h VAL 42 N 0.00 1.25 -3.60 -1.35 3.04 -1.95 -3.41 116.25 110.23 2d49 h VAL 42 Ca 0.00 -0.84 -0.63 0.00 -1.01 0.00 0.00 66.70 64.22 2d49 h VAL 42 Cb 0.13 0.47 -0.17 0.00 -2.01 0.00 0.00 31.29 29.71 2d49 h VAL 42 CO 0.00 0.33 -0.55 0.26 -1.01 0.00 0.00 177.57 176.60 2d49 s TRP 43 N -5.40 3.23 -0.08 3.17 0.52 -0.85 -2.25 118.94 117.29 2d49 s TRP 43 Ca -0.11 0.03 0.01 0.00 0.02 0.00 0.00 56.10 56.04 2d49 s TRP 43 Cb 0.16 -2.24 0.02 0.00 -1.15 0.00 0.00 33.47 30.25 2d49 s TRP 43 CO 0.83 -0.05 -0.08 0.00 0.02 0.00 0.00 176.95 177.67 2d49 s ALA 44 N 1.17 1.15 0.09 0.98 0.00 -1.03 -4.32 121.76 119.80 2d49 s ALA 44 Ca 0.06 -0.39 -0.32 0.00 0.00 0.00 0.00 51.96 51.31 2d49 s ALA 44 Cb -0.14 -0.70 -0.11 0.00 0.00 0.00 0.00 23.12 22.16 2d49 s ALA 44 CO 0.05 -0.18 1.80 -0.40 0.00 0.00 0.00 175.76 177.03 2d49 n ASP 45 N 4.44 3.75 -0.87 0.00 5.68 -1.26 -0.30 116.55 127.99 2d49 n ASP 45 Ca -0.17 1.00 0.09 0.00 -0.50 0.00 0.00 54.79 55.20 2d49 n ASP 45 Cb 0.51 -1.49 0.25 0.00 -1.14 0.00 0.00 41.12 39.25 2d49 n ASP 45 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 2d49 n LYS 46 N 5.49 2.89 -1.15 0.11 4.81 0.62 -4.87 118.16 126.05 2d49 n LYS 46 Ca 0.19 -2.82 0.00 0.00 -0.87 0.00 0.00 58.31 54.81 2d49 n LYS 46 Cb 0.34 -1.82 0.00 0.00 0.02 0.00 0.00 35.03 33.57 2d49 n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2d49 n GLY 47 N -0.50 0.50 3.63 3.14 0.00 -1.24 -4.98 105.19 105.74 2d49 n GLY 47 Ca 0.21 -1.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.38 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 3.13 -0.16 4.61 0.00 -1.26 -2.51 121.76 124.57 2d49 s ALA 48 Ca 0.00 -1.59 -0.05 0.00 0.00 0.00 0.00 51.96 50.32 2d49 s ALA 48 Cb 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 2d49 s ALA 48 CO 0.00 0.32 -0.01 0.00 0.00 0.00 0.00 175.76 176.07 2d49 s GLY 50 N 0.31 0.56 -0.12 0.00 0.00 -0.92 -4.75 107.32 102.40 2d49 s GLY 50 Ca -0.02 -2.19 -0.30 0.00 0.00 0.00 0.00 44.72 42.21 2d49 s GLY 50 CO 0.02 3.31 0.81 -1.08 0.00 0.00 0.00 173.10 176.15 2d49 s THR 51 N 8.98 0.00 -0.20 0.90 -1.32 -1.26 -4.85 115.64 117.88 2d49 s THR 51 Ca 0.64 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 61.03 2d49 s THR 51 Cb -0.01 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.94 2d49 s THR 51 CO 0.08 0.00 0.09 -0.83 -2.21 0.00 0.00 174.62 171.75 2d49 s GLY 52 N -0.97 1.94 0.00 6.08 0.00 -1.26 -4.99 107.32 108.12 2d49 s GLY 52 Ca -0.06 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 43.87 2d49 s GLY 52 CO 0.06 0.17 0.00 1.44 0.00 0.00 0.00 173.10 174.77