#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w3k n SER 2 N -3.49 0.47 -4.28 0.00 7.64 -1.26 -2.68 113.62 110.01 2w3k n SER 2 Ca -0.02 0.58 -0.43 0.00 1.01 0.00 0.00 58.87 60.01 2w3k n SER 2 Cb 0.18 -0.70 -0.07 0.00 -1.01 0.00 0.00 64.21 62.61 2w3k n SER 2 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2w3k s LEU 3 N -3.97 5.79 -1.55 -3.43 0.20 -0.78 -4.64 118.68 110.30 2w3k s LEU 3 Ca 0.08 -1.72 -0.08 0.00 0.69 0.00 0.00 54.13 53.10 2w3k s LEU 3 Cb 0.12 -2.10 0.07 0.00 -0.43 0.00 0.00 46.19 43.84 2w3k s LEU 3 CO 0.44 -0.72 0.51 -0.67 -0.29 0.00 0.00 176.35 175.62 2w3k n ASP 4 N 5.08 -1.32 -2.28 3.68 4.64 -1.26 -1.60 116.55 123.48 2w3k n ASP 4 Ca -0.11 -1.05 -0.19 0.00 -1.38 0.00 0.00 54.79 52.06 2w3k n ASP 4 Cb 0.41 -2.71 -0.02 0.00 -1.04 0.00 0.00 41.12 37.76 2w3k n ASP 4 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 2w3k n ASN 5 N -2.84 -5.43 -1.16 1.67 5.15 -1.09 -1.75 115.26 109.82 2w3k n ASN 5 Ca -0.16 0.10 -0.15 0.00 -0.60 0.00 0.00 54.58 53.77 2w3k n ASN 5 Cb 0.61 -4.58 -0.06 0.00 -0.53 0.00 0.00 39.78 35.21 2w3k n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2w3k n GLY 6 N -0.88 1.52 2.56 8.20 0.00 -0.63 -1.45 105.19 114.52 2w3k n GLY 6 Ca -0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.57 2w3k n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2w3k n ASP 7 N -0.67 -4.73 -4.81 1.61 2.03 -0.71 -4.98 116.55 104.28 2w3k n ASP 7 Ca -0.15 0.03 -0.34 0.00 0.52 0.00 0.00 54.79 54.85 2w3k n ASP 7 Cb 0.53 -2.35 -0.05 0.00 -0.72 0.00 0.00 41.12 38.53 2w3k n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2w3k h ASP 9 N 1.79 0.82 0.00 0.00 5.19 -1.60 -3.47 116.42 119.15 2w3k h ASP 9 Ca -0.49 -0.60 0.00 0.00 -0.62 0.00 0.00 57.03 55.32 2w3k h ASP 9 Cb 1.20 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.47 2w3k h ASP 9 CO 0.60 1.27 0.00 0.00 -3.12 0.00 0.00 179.24 177.99 2w3k n GLN 10 N -4.09 0.00 -2.12 3.56 6.02 -1.26 -5.01 117.38 114.48 2w3k n GLN 10 Ca -0.07 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.51 2w3k n GLN 10 Cb 0.64 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.88 2w3k n GLN 10 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2w3k s PHE 11 N 2.55 3.10 -0.11 1.08 0.08 -0.61 -4.90 117.98 119.17 2w3k s PHE 11 Ca 0.00 1.31 0.03 0.00 0.12 0.00 0.00 56.93 58.39 2w3k s PHE 11 Cb 0.00 -3.68 0.01 0.00 -0.57 0.00 0.00 43.02 38.78 2w3k s PHE 11 CO 0.00 -1.98 -0.18 0.00 -0.10 0.00 0.00 175.22 172.96 2w3k s HIS 13 N 0.74 1.71 -0.37 0.00 3.76 -0.07 -4.99 115.29 116.08 2w3k s HIS 13 Ca -0.11 -0.48 -0.08 0.00 -0.15 0.00 0.00 55.06 54.23 2w3k s HIS 13 Cb -0.16 -0.87 0.04 0.00 1.11 0.00 0.00 32.58 32.70 2w3k s HIS 13 CO 0.02 0.27 0.17 -1.21 -0.85 0.00 0.00 174.74 173.14 2w3k s GLU 14 N -2.66 2.68 -0.17 1.40 2.02 -1.26 0.47 118.70 121.18 2w3k s GLU 14 Ca 0.13 -1.21 -0.03 0.00 0.02 0.00 0.00 54.97 53.88 2w3k s GLU 14 Cb -0.06 -3.62 -0.02 0.00 0.10 0.00 0.00 34.13 30.53 2w3k s GLU 14 CO 0.05 -0.74 -0.06 -1.21 0.02 0.00 0.00 175.26 173.32 2w3k s GLU 15 N 1.46 3.49 -1.49 1.61 2.02 0.17 -4.66 118.70 121.30 2w3k s GLU 15 Ca 0.01 -0.60 -0.12 0.00 0.02 0.00 0.00 54.97 54.28 2w3k s GLU 15 Cb -0.20 -2.88 0.07 0.00 0.10 0.00 0.00 34.13 31.21 2w3k s GLU 15 CO 0.04 0.07 0.94 1.04 0.02 0.00 0.00 175.26 177.37 2w3k n GLN 16 N 4.01 -5.69 -3.34 1.61 6.02 -1.26 -1.06 117.38 117.67 2w3k n GLN 16 Ca -0.18 0.65 -0.23 0.00 -0.01 0.00 0.00 57.00 57.23 2w3k n GLN 16 Cb 0.52 -5.56 0.06 0.00 1.02 0.00 0.00 30.24 26.28 2w3k n GLN 16 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2w3k n ASN 17 N -2.78 -6.29 -3.89 1.08 2.85 -1.26 -5.02 115.26 99.94 2w3k n ASN 17 Ca 0.02 -0.43 -0.10 0.00 -0.11 0.00 0.00 54.58 53.96 2w3k n ASN 17 Cb 0.54 -5.01 -0.09 0.00 1.24 0.00 0.00 39.78 36.46 2w3k n ASN 17 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2w3k s SER 18 N -3.04 0.11 0.10 1.20 0.15 -0.22 -5.13 113.70 106.87 2w3k s SER 18 Ca 0.46 -0.41 -0.30 0.00 0.70 0.00 0.00 55.95 56.40 2w3k s SER 18 Cb -0.20 0.23 -0.06 0.00 -1.71 0.00 0.00 66.02 64.28 2w3k s SER 18 CO 0.57 -0.48 1.09 -0.69 1.20 0.00 0.00 173.24 174.94 2w3k s VAL 19 N -2.25 4.18 -0.13 4.45 1.01 -1.26 0.42 120.40 126.82 2w3k s VAL 19 Ca -0.08 1.70 0.02 0.00 0.00 0.00 0.00 61.98 63.62 2w3k s VAL 19 Cb -0.03 -4.09 0.02 0.00 0.00 0.00 0.00 36.38 32.28 2w3k s VAL 19 CO -0.03 0.21 -0.17 0.54 0.00 0.00 0.00 175.10 175.65 2w3k s VAL 20 N 0.45 1.72 0.14 2.92 0.11 0.18 -4.86 120.40 121.06 2w3k s VAL 20 Ca 0.53 -0.76 -0.09 0.00 -2.93 0.00 0.00 61.98 58.73 2w3k s VAL 20 Cb -0.27 -1.57 -0.06 0.00 -1.53 0.00 0.00 36.38 32.95 2w3k s VAL 20 CO 0.31 0.48 0.44 0.00 -3.33 0.00 0.00 175.10 173.01 2w3k s SER 22 N -2.08 0.14 0.14 0.00 1.04 -0.57 -4.94 113.70 107.43 2w3k s SER 22 Ca 0.39 -1.24 0.06 0.00 0.48 0.00 0.00 55.95 55.64 2w3k s SER 22 Cb -0.13 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 2w3k s SER 22 CO 0.21 -0.98 -0.13 0.00 0.98 0.00 0.00 173.24 173.32 2w3k s ALA 24 N -2.49 0.92 0.29 0.00 0.00 -1.26 -4.91 121.76 114.32 2w3k s ALA 24 Ca 0.12 -0.26 -0.29 0.00 0.00 0.00 0.00 51.96 51.53 2w3k s ALA 24 Cb -0.03 -3.15 -0.13 0.00 0.00 0.00 0.00 23.12 19.81 2w3k s ALA 24 CO 0.03 -2.85 1.34 -2.13 0.00 0.00 0.00 175.76 172.15 2w3k n ARG 25 N -4.20 2.09 -0.63 0.00 0.63 -1.26 -2.34 116.66 110.95 2w3k n ARG 25 Ca 0.05 0.74 0.00 0.00 -0.92 0.00 0.00 57.85 57.72 2w3k n ARG 25 Cb 0.56 -2.35 0.00 0.00 0.45 0.00 0.00 32.46 31.12 2w3k n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2w3k n GLY 26 N 1.43 0.74 3.32 5.14 0.00 -1.26 -4.61 105.19 109.96 2w3k n GLY 26 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 2w3k n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2w3k s TYR 27 N -2.55 1.95 0.08 1.61 1.51 -0.99 -0.46 117.35 118.51 2w3k s TYR 27 Ca 0.00 -0.41 0.09 0.00 -1.01 0.00 0.00 57.07 55.74 2w3k s TYR 27 Cb 0.00 -1.06 -0.03 0.00 -0.11 0.00 0.00 41.96 40.76 2w3k s TYR 27 CO 0.00 0.26 -0.25 0.95 -1.11 0.00 0.00 175.55 175.40 2w3k s THR 28 N -1.20 2.04 0.05 -0.71 -4.23 0.40 -4.79 115.64 107.20 2w3k s THR 28 Ca 0.09 -1.49 -0.31 0.00 -1.18 0.00 0.00 61.69 58.81 2w3k s THR 28 Cb -0.10 -1.78 -0.06 0.00 1.34 0.00 0.00 72.50 71.91 2w3k s THR 28 CO 0.05 0.20 1.27 -0.22 -0.54 0.00 0.00 174.62 175.38 2w3k s LEU 29 N -1.56 4.35 1.03 4.79 2.96 -1.26 -0.09 118.68 128.89 2w3k s LEU 29 Ca 0.11 2.07 -0.12 0.00 -0.22 0.00 0.00 54.13 55.97 2w3k s LEU 29 Cb -0.10 -3.57 0.21 0.00 0.50 0.00 0.00 46.19 43.22 2w3k s LEU 29 CO 0.03 -0.56 1.08 0.00 -1.32 0.00 0.00 176.35 175.58 2w3k s ALA 30 N 1.43 0.68 0.41 5.97 0.00 0.43 -4.86 121.76 125.82 2w3k s ALA 30 Ca 0.60 -0.28 0.12 0.00 0.00 0.00 0.00 51.96 52.40 2w3k s ALA 30 Cb -0.31 -3.15 0.97 0.00 0.00 0.00 0.00 23.12 20.63 2w3k s ALA 30 CO 0.28 -3.03 1.95 -0.44 0.00 0.00 0.00 175.76 174.52 2w3k h ASP 31 N -2.04 0.45 0.19 0.00 5.19 -1.95 0.61 116.42 118.88 2w3k h ASP 31 Ca -0.56 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.87 2w3k h ASP 31 Cb 1.33 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2w3k h ASP 31 CO 0.56 0.26 0.00 -0.46 -3.12 0.00 0.00 179.24 176.48 2w3k n ASN 32 N -4.48 0.00 -0.61 6.45 0.23 -1.26 -4.87 115.26 110.71 2w3k n ASN 32 Ca 0.12 -0.31 -0.08 0.00 -0.53 0.00 0.00 54.58 53.77 2w3k n ASN 32 Cb 0.39 -0.15 -0.03 0.00 -2.08 0.00 0.00 39.78 37.91 2w3k n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2w3k n GLY 33 N 0.35 0.95 1.49 4.83 0.00 0.21 -4.82 105.19 108.21 2w3k n GLY 33 Ca 0.12 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2w3k n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2w3k n LYS 34 N -2.14 0.00 -2.34 1.61 5.02 -1.26 -4.18 118.16 114.87 2w3k n LYS 34 Ca -0.08 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.86 2w3k n LYS 34 Cb 0.34 -0.26 -0.01 0.00 -0.02 0.00 0.00 35.03 35.08 2w3k n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2w3k s ALA 35 N -2.00 2.75 -0.21 7.82 0.00 -1.26 -1.54 121.76 127.32 2w3k s ALA 35 Ca 0.00 0.74 -0.02 0.00 0.00 0.00 0.00 51.96 52.68 2w3k s ALA 35 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2w3k s ALA 35 CO 0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 175.76 175.05 2w3k s ILE 37 N 1.42 5.06 0.38 0.00 -1.09 0.86 -4.87 121.20 122.98 2w3k s ILE 37 Ca 0.05 0.08 -0.28 0.00 -2.23 0.00 0.00 60.65 58.27 2w3k s ILE 37 Cb -0.14 -3.36 -0.10 0.00 -1.58 0.00 0.00 42.46 37.28 2w3k s ILE 37 CO -0.06 0.35 1.44 -2.84 -1.23 0.00 0.00 174.94 172.60 2w3k s PRO 38 N 1.14 4.08 0.00 2.79 0.02 -1.26 -0.45 135.00 141.31 2w3k s PRO 38 Ca 0.06 2.46 0.28 0.00 0.02 0.00 0.00 61.00 63.83 2w3k s PRO 38 Cb -0.14 -2.92 1.11 0.00 0.02 0.00 0.00 34.50 32.56 2w3k s PRO 38 CO 0.05 -0.52 1.78 -2.37 -0.33 0.00 0.00 177.00 175.61 2w3k n THR 39 N 0.39 0.00 -2.20 0.99 5.66 0.40 -4.84 114.28 114.68 2w3k n THR 39 Ca 0.02 -0.13 -0.27 0.00 -3.05 0.00 0.00 64.05 60.61 2w3k n THR 39 Cb 0.40 0.20 0.16 0.00 -1.55 0.00 0.00 70.33 69.54 2w3k n THR 39 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2w3k s PRO 41 N -2.28 0.93 -1.20 1.09 0.04 -1.26 -5.10 135.00 127.22 2w3k s PRO 41 Ca 0.33 -0.75 -0.09 0.00 0.04 0.00 0.00 61.00 60.52 2w3k s PRO 41 Cb 0.20 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 2w3k s PRO 41 CO 0.43 -2.11 0.76 0.66 0.04 0.00 0.00 177.00 176.78 2w3k n TYR 42 N -3.44 -2.00 -2.01 0.56 4.01 -1.26 -4.98 117.16 108.04 2w3k n TYR 42 Ca 0.16 0.69 -0.35 0.00 -0.16 0.00 0.00 57.90 58.23 2w3k n TYR 42 Cb 0.60 -3.94 0.03 0.00 -0.31 0.00 0.00 39.34 35.72 2w3k n TYR 42 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2w3k s PRO 43 N -5.72 2.99 0.51 -0.72 0.04 -1.26 -4.95 135.00 125.90 2w3k s PRO 43 Ca 0.27 1.73 -0.22 0.00 0.04 0.00 0.00 61.00 62.82 2w3k s PRO 43 Cb -0.08 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 2w3k s PRO 43 CO 0.82 -1.16 1.19 0.00 0.04 0.00 0.00 177.00 177.89 2w3k n GLY 45 N 0.97 0.45 3.57 0.00 0.00 -1.26 -5.01 105.19 103.91 2w3k n GLY 45 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2w3k n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w3k s LYS 46 N -0.42 3.60 0.41 1.61 -0.14 -1.17 -5.09 119.74 118.54 2w3k s LYS 46 Ca 0.00 -0.46 -0.27 0.00 -1.36 0.00 0.00 55.97 53.89 2w3k s LYS 46 Cb 0.00 -2.96 -0.10 0.00 -1.68 0.00 0.00 37.83 33.09 2w3k s LYS 46 CO 0.00 0.35 1.44 1.04 -0.76 0.00 0.00 175.35 177.42 2w3k n GLN 47 N 3.24 2.42 -3.07 1.68 6.02 -1.26 -4.92 117.38 121.49 2w3k n GLN 47 Ca -0.17 0.85 -0.39 0.00 -0.01 0.00 0.00 57.00 57.28 2w3k n GLN 47 Cb 0.53 -2.62 -0.06 0.00 1.02 0.00 0.00 30.24 29.11 2w3k n GLN 47 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2w3k s THR 48 N -1.15 4.65 -0.03 5.09 -4.23 -1.26 -4.97 115.64 113.74 2w3k s THR 48 Ca 0.57 1.51 0.13 0.00 -1.18 0.00 0.00 61.69 62.72 2w3k s THR 48 Cb -0.47 -4.05 -0.19 0.00 1.34 0.00 0.00 72.50 69.12 2w3k s THR 48 CO 0.61 0.46 0.25 0.18 -0.54 0.00 0.00 174.62 175.58 2w3k n LEU 49 N 2.21 0.00 0.00 4.79 4.77 -1.26 -5.25 117.00 122.27 2w3k n LEU 49 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2w3k n LEU 49 Cb 0.50 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2w3k n LEU 49 CO 0.45 0.04 0.00 -0.62 -1.33 0.00 0.00 177.39 175.93