#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pr3 h SER 2 N 0.00 0.00 -3.31 0.00 0.02 -1.99 -3.14 113.55 105.12 2pr3 h SER 2 Ca 0.00 0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 60.21 2pr3 h SER 2 Cb 0.00 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.31 2pr3 h SER 2 CO 0.00 0.00 -0.34 -0.22 -1.14 0.00 0.00 176.83 175.13 2pr3 s LEU 3 N -5.53 5.59 -1.53 5.07 0.20 -1.26 -4.58 118.68 116.64 2pr3 s LEU 3 Ca 0.07 -1.35 -0.05 0.00 0.69 0.00 0.00 54.13 53.49 2pr3 s LEU 3 Cb 0.08 -2.16 0.05 0.00 -0.43 0.00 0.00 46.19 43.73 2pr3 s LEU 3 CO 0.62 -0.64 0.42 -0.67 -0.29 0.00 0.00 176.35 175.78 2pr3 n ASP 4 N 5.17 -0.79 -2.84 3.68 4.64 -1.26 -0.78 116.55 124.37 2pr3 n ASP 4 Ca -0.12 -1.08 -0.18 0.00 -1.38 0.00 0.00 54.79 52.03 2pr3 n ASP 4 Cb 0.43 -2.59 0.00 0.00 -1.04 0.00 0.00 41.12 37.93 2pr3 n ASP 4 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 2pr3 n ASN 5 N -2.86 -4.29 -1.07 1.67 5.15 -1.19 -0.83 115.26 111.84 2pr3 n ASN 5 Ca -0.21 -0.09 -0.14 0.00 -0.60 0.00 0.00 54.58 53.55 2pr3 n ASN 5 Cb 0.63 -3.57 -0.06 0.00 -0.53 0.00 0.00 39.78 36.25 2pr3 n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2pr3 n GLY 6 N -1.05 1.38 2.42 8.20 0.00 0.04 -1.15 105.19 115.02 2pr3 n GLY 6 Ca -0.10 -0.10 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 2pr3 n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pr3 n ASP 7 N -0.96 -4.47 -4.83 1.61 2.03 -0.01 -5.00 116.55 104.92 2pr3 n ASP 7 Ca -0.14 0.17 -0.34 0.00 0.52 0.00 0.00 54.79 55.00 2pr3 n ASP 7 Cb 0.57 -2.57 -0.06 0.00 -0.72 0.00 0.00 41.12 38.34 2pr3 n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pr3 h ASP 9 N 2.47 0.55 0.00 0.00 5.19 -1.54 -3.47 116.42 119.62 2pr3 h ASP 9 Ca -0.48 -0.55 0.00 0.00 -0.62 0.00 0.00 57.03 55.38 2pr3 h ASP 9 Cb 1.18 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.53 2pr3 h ASP 9 CO 0.64 1.00 0.00 0.00 -3.12 0.00 0.00 179.24 177.76 2pr3 n GLN 10 N -4.36 0.00 -2.07 3.56 6.02 -1.26 -5.00 117.38 114.27 2pr3 n GLN 10 Ca -0.06 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.53 2pr3 n GLN 10 Cb 0.48 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.73 2pr3 n GLN 10 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2pr3 s PHE 11 N 1.96 2.92 -0.03 1.08 0.08 -0.75 -4.90 117.98 118.33 2pr3 s PHE 11 Ca 0.00 1.39 0.01 0.00 0.12 0.00 0.00 56.93 58.45 2pr3 s PHE 11 Cb 0.00 -3.70 0.02 0.00 -0.57 0.00 0.00 43.02 38.76 2pr3 s PHE 11 CO 0.00 -2.04 -0.04 0.00 -0.10 0.00 0.00 175.22 173.04 2pr3 s HIS 13 N 0.63 1.21 -0.90 0.00 3.76 -0.57 -4.98 115.29 114.44 2pr3 s HIS 13 Ca -0.08 -0.41 -0.00 0.00 -0.15 0.00 0.00 55.06 54.42 2pr3 s HIS 13 Cb -0.11 -0.70 0.28 0.00 1.11 0.00 0.00 32.58 33.16 2pr3 s HIS 13 CO -0.00 0.05 1.13 0.39 -0.85 0.00 0.00 174.74 175.45 2pr3 n GLU 14 N 1.55 3.54 -2.79 1.40 1.02 -1.26 -0.71 120.64 123.39 2pr3 n GLU 14 Ca -0.20 -4.59 -0.42 0.00 -0.02 0.00 0.00 57.16 51.93 2pr3 n GLU 14 Cb 0.54 -2.41 -0.03 0.00 -0.02 0.00 0.00 31.44 29.52 2pr3 n GLU 14 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2pr3 s GLU 15 N -2.51 4.45 -1.48 3.49 2.02 -0.38 -3.70 118.70 120.59 2pr3 s GLU 15 Ca 0.34 1.25 -0.12 0.00 0.02 0.00 0.00 54.97 56.46 2pr3 s GLU 15 Cb 0.07 -3.50 0.06 0.00 0.10 0.00 0.00 34.13 30.87 2pr3 s GLU 15 CO 0.04 -0.16 1.03 1.04 0.02 0.00 0.00 175.26 177.23 2pr3 n GLN 16 N 4.43 -6.17 -3.77 1.61 6.02 -1.26 -1.05 117.38 117.20 2pr3 n GLN 16 Ca 0.05 0.66 -0.27 0.00 -0.01 0.00 0.00 57.00 57.43 2pr3 n GLN 16 Cb 0.50 -5.59 0.05 0.00 1.02 0.00 0.00 30.24 26.22 2pr3 n GLN 16 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2pr3 n ASN 17 N -2.89 -4.86 -3.79 1.08 4.05 -1.24 -4.98 115.26 102.62 2pr3 n ASN 17 Ca 0.03 -0.70 -0.13 0.00 0.45 0.00 0.00 54.58 54.23 2pr3 n ASN 17 Cb 0.54 -4.33 -0.12 0.00 1.23 0.00 0.00 39.78 37.09 2pr3 n ASN 17 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2pr3 s SER 18 N -3.46 -0.21 0.13 1.20 0.15 -0.21 -5.12 113.70 106.17 2pr3 s SER 18 Ca 0.55 0.42 -0.30 0.00 0.70 0.00 0.00 55.95 57.31 2pr3 s SER 18 Cb -0.26 0.41 -0.07 0.00 -1.71 0.00 0.00 66.02 64.38 2pr3 s SER 18 CO 0.79 -0.08 1.23 -0.69 1.20 0.00 0.00 173.24 175.69 2pr3 s VAL 19 N 0.28 3.70 -0.17 4.45 1.01 -1.26 -1.25 120.40 127.16 2pr3 s VAL 19 Ca -0.01 1.30 -0.02 0.00 0.00 0.00 0.00 61.98 63.25 2pr3 s VAL 19 Cb -0.03 -3.83 0.05 0.00 0.00 0.00 0.00 36.38 32.57 2pr3 s VAL 19 CO -0.01 0.15 0.00 0.54 0.00 0.00 0.00 175.10 175.78 2pr3 s VAL 20 N 0.58 0.70 0.33 2.92 0.11 0.11 -4.94 120.40 120.21 2pr3 s VAL 20 Ca 0.57 -0.51 -0.08 0.00 -2.93 0.00 0.00 61.98 59.03 2pr3 s VAL 20 Cb -0.32 -1.06 -0.06 0.00 -1.53 0.00 0.00 36.38 33.41 2pr3 s VAL 20 CO 0.33 -0.05 0.64 0.00 -3.33 0.00 0.00 175.10 172.68 2pr3 s SER 22 N -3.08 -0.10 0.26 0.00 1.04 -0.51 -4.96 113.70 106.35 2pr3 s SER 22 Ca 0.47 -0.83 0.04 0.00 0.48 0.00 0.00 55.95 56.11 2pr3 s SER 22 Cb -0.11 0.55 -0.06 0.00 0.10 0.00 0.00 66.02 66.51 2pr3 s SER 22 CO 0.29 -1.07 0.01 0.00 0.98 0.00 0.00 173.24 173.45 2pr3 s ALA 24 N -3.34 2.13 0.36 0.00 0.00 -1.26 -4.92 121.76 114.72 2pr3 s ALA 24 Ca 0.31 -0.29 -0.28 0.00 0.00 0.00 0.00 51.96 51.70 2pr3 s ALA 24 Cb 0.06 -3.09 -0.11 0.00 0.00 0.00 0.00 23.12 19.98 2pr3 s ALA 24 CO 0.11 -1.87 1.45 -2.13 0.00 0.00 0.00 175.76 173.32 2pr3 n ARG 25 N -3.52 2.54 -0.14 0.00 0.63 -1.26 -2.26 116.66 112.65 2pr3 n ARG 25 Ca 0.07 0.89 0.00 0.00 -0.92 0.00 0.00 57.85 57.89 2pr3 n ARG 25 Cb 0.57 -2.59 0.00 0.00 0.45 0.00 0.00 32.46 30.89 2pr3 n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2pr3 n GLY 26 N 0.75 0.57 3.26 5.14 0.00 -1.26 -4.66 105.19 108.99 2pr3 n GLY 26 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 2pr3 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pr3 s TYR 27 N -2.31 1.59 0.05 1.61 1.51 -0.96 0.03 117.35 118.87 2pr3 s TYR 27 Ca 0.00 -0.46 0.09 0.00 -1.01 0.00 0.00 57.07 55.69 2pr3 s TYR 27 Cb 0.00 -0.86 -0.03 0.00 -0.11 0.00 0.00 41.96 40.96 2pr3 s TYR 27 CO 0.00 0.18 -0.24 0.95 -1.11 0.00 0.00 175.55 175.33 2pr3 s THR 28 N -1.48 1.94 0.12 -0.71 -4.23 0.05 -4.77 115.64 106.56 2pr3 s THR 28 Ca 0.06 -1.34 -0.30 0.00 -1.18 0.00 0.00 61.69 58.93 2pr3 s THR 28 Cb -0.09 -1.68 -0.07 0.00 1.34 0.00 0.00 72.50 72.01 2pr3 s THR 28 CO 0.04 0.27 1.20 -0.22 -0.54 0.00 0.00 174.62 175.37 2pr3 s LEU 29 N -1.29 4.41 1.03 4.79 2.96 -1.26 -0.68 118.68 128.64 2pr3 s LEU 29 Ca 0.10 2.12 -0.12 0.00 -0.22 0.00 0.00 54.13 56.01 2pr3 s LEU 29 Cb -0.09 -3.59 0.21 0.00 0.50 0.00 0.00 46.19 43.21 2pr3 s LEU 29 CO 0.02 -0.43 1.07 0.00 -1.32 0.00 0.00 176.35 175.70 2pr3 s ALA 30 N 0.56 0.62 0.49 5.97 0.00 0.45 -4.86 121.76 124.98 2pr3 s ALA 30 Ca 0.56 -0.17 0.16 0.00 0.00 0.00 0.00 51.96 52.51 2pr3 s ALA 30 Cb -0.31 -3.19 1.18 0.00 0.00 0.00 0.00 23.12 20.80 2pr3 s ALA 30 CO 0.32 -3.08 2.08 -0.44 0.00 0.00 0.00 175.76 174.65 2pr3 h ASP 31 N -2.07 0.14 0.00 0.00 5.19 -1.95 -0.20 116.42 117.54 2pr3 h ASP 31 Ca -0.55 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.86 2pr3 h ASP 31 Cb 1.32 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.80 2pr3 h ASP 31 CO 0.54 0.10 0.00 -0.46 -3.12 0.00 0.00 179.24 176.29 2pr3 n ASN 32 N -4.49 0.00 -1.07 6.45 0.23 -1.26 -4.87 115.26 110.25 2pr3 n ASN 32 Ca 0.02 -0.94 -0.14 0.00 -0.53 0.00 0.00 54.58 52.99 2pr3 n ASN 32 Cb 0.21 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.85 2pr3 n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pr3 n GLY 33 N 0.71 1.43 0.90 4.83 0.00 -0.09 -4.80 105.19 108.17 2pr3 n GLY 33 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2pr3 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pr3 n LYS 34 N -2.27 0.00 -2.30 1.61 5.02 -1.26 -4.15 118.16 114.80 2pr3 n LYS 34 Ca -0.14 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.83 2pr3 n LYS 34 Cb 0.50 -0.45 -0.02 0.00 -0.02 0.00 0.00 35.03 35.03 2pr3 n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pr3 s ALA 35 N -1.81 2.95 -0.21 7.82 0.00 -1.26 -1.37 121.76 127.88 2pr3 s ALA 35 Ca 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 51.96 52.21 2pr3 s ALA 35 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2pr3 s ALA 35 CO 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 175.76 175.26 2pr3 s ILE 37 N 1.41 4.87 0.22 0.00 -1.09 0.14 -4.88 121.20 121.87 2pr3 s ILE 37 Ca 0.05 0.01 -0.32 0.00 -2.23 0.00 0.00 60.65 58.16 2pr3 s ILE 37 Cb -0.14 -3.24 -0.13 0.00 -1.58 0.00 0.00 42.46 37.36 2pr3 s ILE 37 CO -0.06 0.39 1.49 -2.65 -1.23 0.00 0.00 174.94 172.87 2pr3 n PRO 38 N 4.17 2.17 0.00 2.79 -0.02 -1.26 -0.77 135.00 142.08 2pr3 n PRO 38 Ca -0.16 0.78 0.14 0.00 -2.02 0.00 0.00 63.50 62.24 2pr3 n PRO 38 Cb 0.52 -2.48 0.61 0.00 -0.02 0.00 0.00 33.50 32.13 2pr3 n PRO 38 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2pr3 n THR 39 N 2.39 0.00 -2.43 3.45 5.66 0.10 -4.84 114.28 118.62 2pr3 n THR 39 Ca 0.13 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 2pr3 n THR 39 Cb 0.31 -0.35 0.00 0.00 -1.55 0.00 0.00 70.33 68.74 2pr3 n THR 39 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2pr3 n GLY 40 N 1.41 1.08 3.76 1.09 0.00 -1.26 -5.07 105.19 106.20 2pr3 n GLY 40 Ca 0.10 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 2pr3 n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pr3 s PRO 41 N 1.46 4.51 -1.09 1.61 0.04 -1.26 -4.22 135.00 136.05 2pr3 s PRO 41 Ca 0.00 1.75 -0.14 0.00 0.04 0.00 0.00 61.00 62.65 2pr3 s PRO 41 Cb 0.00 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.47 2pr3 s PRO 41 CO 0.00 0.11 0.86 0.66 0.04 0.00 0.00 177.00 178.67 2pr3 n TYR 42 N 0.87 -2.19 -1.98 0.56 4.01 -1.26 -4.97 117.16 112.20 2pr3 n TYR 42 Ca 0.00 0.65 -0.36 0.00 -0.16 0.00 0.00 57.90 58.04 2pr3 n TYR 42 Cb 0.46 -3.78 0.04 0.00 -0.31 0.00 0.00 39.34 35.75 2pr3 n TYR 42 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2pr3 s PRO 43 N -5.19 2.92 0.70 -0.72 0.04 -1.26 -4.95 135.00 126.55 2pr3 s PRO 43 Ca 0.47 1.83 -0.16 0.00 0.04 0.00 0.00 61.00 63.17 2pr3 s PRO 43 Cb -0.12 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.52 2pr3 s PRO 43 CO 0.80 -1.24 1.27 0.00 0.04 0.00 0.00 177.00 177.86 2pr3 n GLY 45 N 0.77 0.30 3.47 0.00 0.00 -1.26 -5.00 105.19 103.48 2pr3 n GLY 45 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2pr3 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pr3 s LYS 46 N -0.90 3.51 0.49 1.61 -0.14 -1.19 -5.09 119.74 118.03 2pr3 s LYS 46 Ca 0.00 -0.57 -0.22 0.00 -1.36 0.00 0.00 55.97 53.82 2pr3 s LYS 46 Cb 0.00 -2.81 -0.06 0.00 -1.68 0.00 0.00 37.83 33.28 2pr3 s LYS 46 CO 0.00 0.28 1.21 -0.65 -0.76 0.00 0.00 175.35 175.43 2pr3 s GLN 47 N 0.24 3.53 0.04 1.68 -0.21 -1.26 -4.93 119.66 118.74 2pr3 s GLN 47 Ca -0.04 1.89 -0.19 0.00 0.02 0.00 0.00 55.36 57.03 2pr3 s GLN 47 Cb -0.14 -2.32 -0.06 0.00 1.00 0.00 0.00 33.01 31.49 2pr3 s GLN 47 CO 0.04 -0.77 0.54 0.95 -2.12 0.00 0.00 175.29 173.93 2pr3 s THR 48 N -1.50 4.84 -0.14 -0.19 -4.23 -1.26 -4.97 115.64 108.20 2pr3 s THR 48 Ca 0.67 1.15 0.13 0.00 -1.18 0.00 0.00 61.69 62.47 2pr3 s THR 48 Cb -0.31 -3.87 -0.19 0.00 1.34 0.00 0.00 72.50 69.46 2pr3 s THR 48 CO 0.37 0.52 0.08 0.18 -0.54 0.00 0.00 174.62 175.23 2pr3 n LEU 49 N 2.04 0.00 0.00 4.79 4.77 -1.26 -5.28 117.00 122.07 2pr3 n LEU 49 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2pr3 n LEU 49 Cb 0.51 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 2pr3 n LEU 49 CO 0.41 0.34 0.00 -0.62 -1.33 0.00 0.00 177.39 176.19