#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w2b n GLY 2 N 0.00 -1.71 0.26 3.41 0.00 -1.26 -4.83 105.19 101.06 1w2b n GLY 2 Ca 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1w2b n GLY 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w2b n ALA 3 N -0.80 3.43 -1.24 4.61 0.00 -1.26 -3.43 120.51 121.81 1w2b n ALA 3 Ca 0.04 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1w2b n ALA 3 Cb 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1w2b n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w2b n GLY 4 N 1.40 0.79 0.12 0.00 0.00 -1.26 -4.49 105.19 101.74 1w2b n GLY 4 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 1w2b n GLY 4 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1w2b n THR 5 N 0.00 -0.19 -0.38 2.61 -1.04 -1.26 -1.34 114.28 112.68 1w2b n THR 5 Ca 0.00 1.31 -0.00 0.00 -2.04 0.00 0.00 64.05 63.32 1w2b n THR 5 Cb 0.00 -1.68 0.05 0.00 -1.82 0.00 0.00 70.33 66.88 1w2b n THR 5 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1w2b h PRO 6 N 0.00 -0.00 0.00 -2.82 0.13 -1.89 1.10 132.00 128.51 1w2b h PRO 6 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1w2b h PRO 6 Cb 0.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.24 1w2b h PRO 6 CO -0.26 -0.00 0.00 0.43 -0.23 0.00 0.00 178.00 177.94 1w2b n SER 7 N -5.49 0.00 0.11 1.44 7.64 -0.45 -2.30 113.62 114.56 1w2b n SER 7 Ca 0.11 -1.00 0.10 0.00 1.01 0.00 0.00 58.87 59.09 1w2b n SER 7 Cb 0.41 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.62 1w2b n SER 7 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1w2b h GLN 8 N 0.00 0.00 0.32 1.43 1.08 0.13 -3.40 115.11 114.67 1w2b h GLN 8 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1w2b h GLN 8 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1w2b h GLN 8 CO 0.00 0.04 -0.26 0.78 -0.95 0.00 0.00 178.83 178.44 1w2b h GLY 9 N 3.96 -0.63 1.75 3.46 0.00 -1.57 -2.62 103.07 107.42 1w2b h GLY 9 Ca -0.02 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1w2b h GLY 9 CO 0.01 -0.25 0.09 0.28 0.00 0.00 0.00 176.54 176.67 1w2b n LYS 10 N -5.39 0.11 -0.79 4.80 5.02 -1.26 -4.32 118.16 116.33 1w2b n LYS 10 Ca -0.09 0.59 -0.44 0.00 -2.02 0.00 0.00 58.31 56.35 1w2b n LYS 10 Cb 0.29 -1.94 -0.09 0.00 -0.02 0.00 0.00 35.03 33.27 1w2b n LYS 10 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1w2b n LYS 11 N -2.09 0.69 -0.76 1.97 5.02 -0.99 -4.31 118.16 117.69 1w2b n LYS 11 Ca -0.01 -1.38 0.05 0.00 -2.02 0.00 0.00 58.31 54.95 1w2b n LYS 11 Cb 0.11 -2.69 0.12 0.00 -0.02 0.00 0.00 35.03 32.56 1w2b n LYS 11 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1w2b n ASN 12 N 8.28 1.41 -4.89 4.39 6.94 -1.26 -5.06 115.26 125.08 1w2b n ASN 12 Ca 0.48 -3.00 -0.33 0.00 -0.02 0.00 0.00 54.58 51.71 1w2b n ASN 12 Cb 0.41 -0.41 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 1w2b n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1w2b s THR 13 N -1.87 5.19 -0.17 5.53 2.01 -1.26 -5.09 115.64 119.99 1w2b s THR 13 Ca 0.32 0.18 -0.07 0.00 0.31 0.00 0.00 61.69 62.43 1w2b s THR 13 Cb 0.32 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 1w2b s THR 13 CO -0.07 0.21 0.06 -0.89 -0.69 0.00 0.00 174.62 173.23 1w2b s THR 14 N -1.47 4.75 0.00 -0.82 2.01 -1.26 -4.98 115.64 113.86 1w2b s THR 14 Ca 0.35 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.29 1w2b s THR 14 Cb -0.13 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.26 1w2b s THR 14 CO 0.20 0.49 0.00 0.35 -0.69 0.00 0.00 174.62 174.97 1w2b n THR 15 N 3.27 0.00 -2.17 -0.82 -2.24 -1.26 -4.86 114.28 106.20 1w2b n THR 15 Ca -0.17 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 1w2b n THR 15 Cb 0.53 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.65 1w2b n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1w2b s HIS 16 N -0.03 3.19 0.16 4.78 3.76 -1.25 0.02 115.29 125.91 1w2b s HIS 16 Ca 0.00 1.22 -0.06 0.00 -0.15 0.00 0.00 55.06 56.08 1w2b s HIS 16 Cb 0.00 -3.65 -0.02 0.00 1.11 0.00 0.00 32.58 30.02 1w2b s HIS 16 CO 0.00 -1.99 0.20 0.95 -0.85 0.00 0.00 174.74 173.05 1w2b s THR 17 N -0.14 0.07 -0.79 1.30 -4.23 0.49 -4.81 115.64 107.54 1w2b s THR 17 Ca 0.56 -1.63 -0.24 0.00 -1.18 0.00 0.00 61.69 59.20 1w2b s THR 17 Cb -0.38 -1.99 -0.18 0.00 1.34 0.00 0.00 72.50 71.30 1w2b s THR 17 CO 0.41 -0.32 2.44 1.17 -0.54 0.00 0.00 174.62 177.79 1w2b n LYS 18 N -0.18 0.46 -1.67 3.99 3.00 -1.26 0.46 118.16 122.96 1w2b n LYS 18 Ca -0.06 -0.20 -0.45 0.00 -0.00 0.00 0.00 58.31 57.60 1w2b n LYS 18 Cb 0.63 -2.53 -0.03 0.00 0.00 0.00 0.00 35.03 33.10 1w2b n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1w2b h ARG 20 N 4.69 0.19 0.22 0.00 2.43 -1.88 -2.11 114.38 117.92 1w2b h ARG 20 Ca -0.45 -0.05 -0.35 0.00 -0.81 0.00 0.00 59.98 58.32 1w2b h ARG 20 Cb 1.27 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 30.82 1w2b h ARG 20 CO 0.79 0.38 -1.62 -0.09 -1.51 0.00 0.00 179.97 177.92 1w2b h ARG 21 N 0.18 0.46 0.00 0.20 2.43 -1.97 -3.43 114.38 112.26 1w2b h ARG 21 Ca 0.03 -0.79 -0.29 0.00 -0.81 0.00 0.00 59.98 58.12 1w2b h ARG 21 Cb 0.44 0.30 -0.04 0.00 -0.42 0.00 0.00 29.97 30.24 1w2b h ARG 21 CO 0.03 1.38 -1.99 0.00 -1.51 0.00 0.00 179.97 177.88 1w2b n GLY 23 N 2.12 1.22 3.92 0.00 0.00 -0.79 -5.03 105.19 106.64 1w2b n GLY 23 Ca -0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1w2b n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w2b s GLU 24 N -0.27 3.50 -0.73 1.61 0.41 -1.26 -4.73 118.70 117.23 1w2b s GLU 24 Ca 0.00 -0.39 -0.07 0.00 -0.41 0.00 0.00 54.97 54.10 1w2b s GLU 24 Cb 0.00 -2.92 -0.15 0.00 -1.78 0.00 0.00 34.13 29.27 1w2b s GLU 24 CO 0.00 0.50 3.24 1.17 -0.49 0.00 0.00 175.26 179.67 1w2b n LYS 25 N -0.26 2.83 -0.06 1.61 4.81 -1.26 0.11 118.16 125.94 1w2b n LYS 25 Ca -0.05 -1.71 0.02 0.00 -0.87 0.00 0.00 58.31 55.70 1w2b n LYS 25 Cb 0.53 -2.35 0.05 0.00 0.02 0.00 0.00 35.03 33.28 1w2b n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1w2b n SER 26 N 2.71 2.24 -4.59 3.14 7.64 -0.83 -3.81 113.62 120.13 1w2b n SER 26 Ca 0.58 -1.91 -0.43 0.00 1.01 0.00 0.00 58.87 58.12 1w2b n SER 26 Cb 0.59 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 1w2b n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1w2b s TYR 27 N -0.93 2.85 -1.05 1.43 5.04 0.17 -1.75 117.35 123.12 1w2b s TYR 27 Ca 0.08 0.57 -0.23 0.00 -2.44 0.00 0.00 57.07 55.06 1w2b s TYR 27 Cb 0.04 -4.26 0.02 0.00 0.35 0.00 0.00 41.96 38.12 1w2b s TYR 27 CO 0.06 -1.21 1.63 -1.58 -1.34 0.00 0.00 175.55 173.11 1w2b s HIS 28 N 4.18 2.38 -1.27 4.97 5.65 -0.80 0.19 115.29 130.59 1w2b s HIS 28 Ca 0.43 -0.57 0.00 0.00 0.25 0.00 0.00 55.06 55.17 1w2b s HIS 28 Cb -0.08 -4.53 0.00 0.00 -1.18 0.00 0.00 32.58 26.79 1w2b s HIS 28 CO 0.30 -1.84 0.33 -2.37 -0.65 0.00 0.00 174.74 170.51 1w2b n THR 29 N 7.08 0.02 -0.11 0.89 5.66 0.10 0.28 114.28 128.20 1w2b n THR 29 Ca 0.38 0.01 -0.22 0.00 -3.05 0.00 0.00 64.05 61.17 1w2b n THR 29 Cb 0.49 -1.01 -0.12 0.00 -1.55 0.00 0.00 70.33 68.15 1w2b n THR 29 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1w2b n LYS 30 N -0.83 0.65 0.04 1.09 4.76 -1.26 -4.37 118.16 118.24 1w2b n LYS 30 Ca 0.00 0.22 0.11 0.00 -2.87 0.00 0.00 58.31 55.77 1w2b n LYS 30 Cb 0.00 -1.56 -0.04 0.00 -1.84 0.00 0.00 35.03 31.60 1w2b n LYS 30 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1w2b n LYS 31 N -3.60 0.47 -3.61 1.97 5.02 0.59 -4.96 118.16 114.04 1w2b n LYS 31 Ca -0.45 -0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 55.59 1w2b n LYS 31 Cb 0.96 -1.64 0.07 0.00 -0.02 0.00 0.00 35.03 34.40 1w2b n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1w2b n LYS 32 N -2.24 -7.21 -4.19 1.97 4.76 0.79 -4.98 118.16 107.05 1w2b n LYS 32 Ca -0.00 0.79 -0.18 0.00 -2.87 0.00 0.00 58.31 56.05 1w2b n LYS 32 Cb 0.50 -5.79 -0.16 0.00 -1.84 0.00 0.00 35.03 27.75 1w2b n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1w2b s VAL 33 N -3.34 0.51 -0.50 -0.18 1.01 -1.23 -4.42 120.40 112.25 1w2b s VAL 33 Ca 0.45 -0.18 -0.25 0.00 0.00 0.00 0.00 61.98 62.00 1w2b s VAL 33 Cb -0.20 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 35.72 1w2b s VAL 33 CO 0.75 0.19 0.91 0.00 0.00 0.00 0.00 175.10 176.95 1w2b h SER 35 N 9.16 0.00 0.04 0.00 4.64 -1.68 0.11 113.55 125.82 1w2b h SER 35 Ca -0.25 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.70 1w2b h SER 35 Cb 1.08 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.12 1w2b h SER 35 CO 1.04 0.00 -2.15 -0.24 -0.87 0.00 0.00 176.83 174.62 1w2b n SER 36 N -2.70 2.00 -0.01 4.97 2.88 -1.26 -4.72 113.62 114.79 1w2b n SER 36 Ca -0.02 0.15 0.05 0.00 -1.33 0.00 0.00 58.87 57.72 1w2b n SER 36 Cb 0.06 -0.72 -0.08 0.00 -0.75 0.00 0.00 64.21 62.71 1w2b n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1w2b n GLY 38 N 1.91 0.75 3.71 0.00 0.00 0.36 0.92 105.19 112.84 1w2b n GLY 38 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1w2b n GLY 38 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1w2b n PHE 39 N -2.19 2.27 0.00 1.61 7.35 -1.26 0.10 117.46 125.34 1w2b n PHE 39 Ca 0.00 0.50 0.00 0.00 -0.76 0.00 0.00 57.45 57.19 1w2b n PHE 39 Cb 0.00 -2.40 0.00 0.00 0.35 0.00 0.00 39.48 37.43 1w2b n PHE 39 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1w2b n GLY 40 N 0.76 3.02 0.55 7.13 0.00 -1.26 -0.89 105.19 114.49 1w2b n GLY 40 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 1w2b n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1w2b n LYS 41 N -1.38 0.20 -5.14 1.61 4.81 0.61 -4.88 118.16 113.99 1w2b n LYS 41 Ca 0.00 0.08 -0.32 0.00 -0.87 0.00 0.00 58.31 57.20 1w2b n LYS 41 Cb 0.00 -0.79 -0.15 0.00 0.02 0.00 0.00 35.03 34.10 1w2b n LYS 41 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1w2b s SER 42 N -5.60 3.37 0.25 3.14 0.15 0.28 -4.98 113.70 110.31 1w2b s SER 42 Ca -0.11 -0.42 0.24 0.00 0.70 0.00 0.00 55.95 56.36 1w2b s SER 42 Cb 0.02 -0.88 0.95 0.00 -1.71 0.00 0.00 66.02 64.40 1w2b s SER 42 CO 0.16 0.26 1.72 0.00 1.20 0.00 0.00 173.24 176.58 1w2b n ALA 43 N 2.83 1.75 -2.86 5.45 0.00 -1.26 -4.22 120.51 122.19 1w2b n ALA 43 Ca -0.17 0.07 -0.30 0.00 0.00 0.00 0.00 53.44 53.04 1w2b n ALA 43 Cb 0.52 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 1w2b n ALA 43 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1w2b s LYS 44 N -3.28 3.48 -0.16 0.00 1.02 -1.26 -5.03 119.74 114.51 1w2b s LYS 44 Ca 0.05 -0.39 -0.29 0.00 0.02 0.00 0.00 55.97 55.36 1w2b s LYS 44 Cb 0.10 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 1w2b s LYS 44 CO 0.42 0.55 1.77 1.03 -0.92 0.00 0.00 175.35 178.19 1w2b s ARG 45 N -2.74 3.80 -0.12 1.68 1.81 -1.26 -4.78 118.95 117.33 1w2b s ARG 45 Ca 0.36 1.94 -0.38 0.00 -1.72 0.00 0.00 55.73 55.93 1w2b s ARG 45 Cb -0.12 -4.10 -0.16 0.00 -0.45 0.00 0.00 34.95 30.12 1w2b s ARG 45 CO 0.28 -1.30 1.61 -2.13 -0.68 0.00 0.00 175.30 173.08 1w2b n ARG 46 N 7.73 1.28 -3.61 3.54 0.63 0.26 -4.94 116.66 121.56 1w2b n ARG 46 Ca 0.20 0.47 -0.15 0.00 -0.92 0.00 0.00 57.85 57.45 1w2b n ARG 46 Cb 0.44 -2.15 -0.06 0.00 0.45 0.00 0.00 32.46 31.14 1w2b n ARG 46 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1w2b s ASP 47 N 2.45 -0.42 -0.02 6.15 -1.08 -1.26 -4.78 116.67 117.70 1w2b s ASP 47 Ca 0.92 0.27 -0.08 0.00 -0.52 0.00 0.00 52.55 53.14 1w2b s ASP 47 Cb -0.98 0.46 0.01 0.00 -1.46 0.00 0.00 42.92 40.94 1w2b s ASP 47 CO 0.57 -0.63 0.17 -0.31 0.52 0.00 0.00 175.17 175.49 1w2b s TYR 48 N -1.92 -0.04 -0.71 -5.34 1.51 -1.26 -5.02 117.35 104.57 1w2b s TYR 48 Ca -0.08 0.05 0.22 0.00 -1.01 0.00 0.00 57.07 56.24 1w2b s TYR 48 Cb -0.01 -0.01 0.87 0.00 -0.11 0.00 0.00 41.96 42.70 1w2b s TYR 48 CO 0.02 -0.26 1.66 0.39 -1.11 0.00 0.00 175.55 176.25 1w2b n GLU 49 N 1.76 0.13 -0.03 -0.62 -0.58 -1.26 -2.45 120.64 117.59 1w2b n GLU 49 Ca -0.20 0.32 0.13 0.00 -0.42 0.00 0.00 57.16 56.98 1w2b n GLU 49 Cb 0.56 -1.72 0.41 0.00 -0.57 0.00 0.00 31.44 30.11 1w2b n GLU 49 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1w2b n TRP 50 N -1.96 0.09 1.57 -0.32 4.27 -1.26 -3.51 117.44 116.31 1w2b n TRP 50 Ca 0.03 -0.04 0.00 0.00 -3.89 0.00 0.00 57.50 53.60 1w2b n TRP 50 Cb 0.24 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.19 1w2b n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1w2b n GLN 51 N 0.46 0.91 -3.56 -2.67 6.02 -1.02 -4.69 117.38 112.83 1w2b n GLN 51 Ca 0.18 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 57.03 1w2b n GLN 51 Cb 0.40 -1.13 -0.06 0.00 1.02 0.00 0.00 30.24 30.47 1w2b n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1w2b s SER 52 N -0.80 -0.53 0.60 1.08 1.04 -1.23 -5.10 113.70 108.76 1w2b s SER 52 Ca 0.00 0.67 -0.18 0.00 0.48 0.00 0.00 55.95 56.93 1w2b s SER 52 Cb 0.00 0.56 -0.09 0.00 0.10 0.00 0.00 66.02 66.59 1w2b s SER 52 CO 0.00 -0.43 0.37 0.29 0.98 0.00 0.00 173.24 174.45 1w2b n LYS 53 N 1.12 0.36 -0.25 4.02 4.76 -1.26 -4.86 118.16 122.04 1w2b n LYS 53 Ca -0.14 0.15 0.06 0.00 -2.87 0.00 0.00 58.31 55.50 1w2b n LYS 53 Cb 0.57 -1.58 0.19 0.00 -1.84 0.00 0.00 35.03 32.37 1w2b n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1w2b h ALA 54 N 0.03 0.99 -0.98 7.82 0.00 -1.96 -2.10 119.26 123.06 1w2b h ALA 54 Ca -0.45 0.17 -0.63 0.00 0.00 0.00 0.00 54.91 54.00 1w2b h ALA 54 Cb 1.39 0.23 -0.30 0.00 0.00 0.00 0.00 17.79 19.12 1w2b h ALA 54 CO 0.44 -0.34 0.75 0.41 0.00 0.00 0.00 179.25 180.51 1w2b n GLY 55 N -1.35 5.57 0.00 0.00 0.00 -1.26 -5.15 105.19 103.00 1w2b n GLY 55 Ca 0.15 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1w2b n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11