#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p00 s LYS 2 N 0.00 2.06 -0.15 -1.24 0.00 -1.21 -4.96 119.74 114.23 1p00 s LYS 2 Ca 0.00 -0.62 -0.26 0.00 0.00 0.00 0.00 55.97 55.09 1p00 s LYS 2 Cb 0.00 -1.69 -0.02 0.00 0.00 0.00 0.00 37.83 36.12 1p00 s LYS 2 CO 0.00 0.18 0.85 -1.17 0.00 0.00 0.00 175.35 175.20 1p00 s LEU 3 N 0.27 4.20 -0.02 2.77 2.96 -1.26 -1.79 118.68 125.79 1p00 s LEU 3 Ca -0.10 1.23 0.15 0.00 -0.22 0.00 0.00 54.13 55.19 1p00 s LEU 3 Cb -0.14 -3.27 -0.23 0.00 0.50 0.00 0.00 46.19 43.05 1p00 s LEU 3 CO 0.04 -0.38 0.32 2.30 -1.32 0.00 0.00 176.35 177.31 1p00 n ILE 4 N 4.64 0.04 -3.64 6.68 -5.35 -1.11 -5.02 119.36 115.60 1p00 n ILE 4 Ca 0.05 -0.35 -0.03 0.00 -0.27 0.00 0.00 62.75 62.15 1p00 n ILE 4 Cb 0.49 0.13 -0.02 0.00 -1.74 0.00 0.00 39.64 38.49 1p00 n ILE 4 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1p00 s GLY 5 N -3.77 -0.19 0.01 3.28 0.00 -1.25 -5.01 107.32 100.38 1p00 s GLY 5 Ca -0.06 1.93 -0.30 0.00 0.00 0.00 0.00 44.72 46.30 1p00 s GLY 5 CO 0.62 0.66 1.09 -0.45 0.00 0.00 0.00 173.10 175.02 1p00 s SER 6 N -1.96 7.21 -0.45 1.64 0.15 -1.00 -0.58 113.70 118.70 1p00 s SER 6 Ca 0.11 1.80 -0.05 0.00 0.70 0.00 0.00 55.95 58.51 1p00 s SER 6 Cb -0.01 -2.57 -0.06 0.00 -1.71 0.00 0.00 66.02 61.67 1p00 s SER 6 CO -0.03 -0.39 3.06 0.00 1.20 0.00 0.00 173.24 177.07 1p00 s VAL 8 N -0.71 0.27 -0.02 0.00 0.11 -1.25 -4.48 120.40 114.32 1p00 s VAL 8 Ca 0.62 -0.11 -0.30 0.00 -2.93 0.00 0.00 61.98 59.26 1p00 s VAL 8 Cb 0.33 -0.26 -0.06 0.00 -1.53 0.00 0.00 36.38 34.85 1p00 s VAL 8 CO -0.12 0.10 1.69 0.86 -3.33 0.00 0.00 175.10 174.29 1p00 s TRP 9 N 0.16 1.99 0.00 1.54 -0.00 -1.26 -2.86 118.94 118.51 1p00 s TRP 9 Ca -0.01 0.15 0.00 0.00 -0.00 0.00 0.00 56.10 56.23 1p00 s TRP 9 Cb -0.04 -3.96 0.00 0.00 -0.00 0.00 0.00 33.47 29.47 1p00 s TRP 9 CO -0.00 -4.03 0.00 0.41 -0.00 0.00 0.00 176.95 173.32 1p00 n GLY 10 N 4.15 3.91 3.77 5.86 0.00 -1.26 -5.10 105.19 116.51 1p00 n GLY 10 Ca 0.17 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 1p00 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p00 s ALA 11 N 0.00 3.52 0.00 4.61 0.00 -1.14 -4.88 121.76 123.88 1p00 s ALA 11 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1p00 s ALA 11 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1p00 s ALA 11 CO 0.00 -0.71 1.53 1.33 0.00 0.00 0.00 175.76 177.91 1p00 n VAL 12 N 0.96 1.53 -2.25 0.00 0.24 -1.26 -2.66 118.33 114.89 1p00 n VAL 12 Ca 0.01 -0.30 -0.04 0.00 -2.04 0.00 0.00 64.34 61.97 1p00 n VAL 12 Cb 0.41 -1.29 0.02 0.00 -1.47 0.00 0.00 33.84 31.51 1p00 n VAL 12 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1p00 n ASN 13 N 1.19 -1.02 -4.65 -1.34 0.23 -1.26 -5.07 115.26 103.34 1p00 n ASN 13 Ca 0.00 -1.83 -0.43 0.00 -0.53 0.00 0.00 54.58 51.79 1p00 n ASN 13 Cb 0.46 0.40 -0.02 0.00 -2.08 0.00 0.00 39.78 38.54 1p00 n ASN 13 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1p00 s TYR 14 N 0.05 3.14 -0.80 -2.53 5.04 -1.09 -2.39 117.35 118.78 1p00 s TYR 14 Ca 0.03 1.25 -0.03 0.00 -2.44 0.00 0.00 57.07 55.88 1p00 s TYR 14 Cb 0.17 -3.50 0.20 0.00 0.35 0.00 0.00 41.96 39.18 1p00 s TYR 14 CO -0.05 -0.90 0.66 0.95 -1.34 0.00 0.00 175.55 174.88 1p00 s THR 15 N 3.50 4.25 0.16 4.34 -4.23 -1.24 -4.92 115.64 117.50 1p00 s THR 15 Ca 0.47 -3.42 -0.16 0.00 -1.18 0.00 0.00 61.69 57.40 1p00 s THR 15 Cb -0.15 -3.68 0.06 0.00 1.34 0.00 0.00 72.50 70.06 1p00 s THR 15 CO 0.12 -1.01 1.70 0.28 -0.54 0.00 0.00 174.62 175.17 1p00 h SER 16 N 6.53 -0.13 -1.63 3.99 0.02 -1.93 -2.42 113.55 117.97 1p00 h SER 16 Ca 0.09 0.08 -0.76 0.00 -0.84 0.00 0.00 61.79 60.36 1p00 h SER 16 Cb 0.88 0.14 -0.19 0.00 0.14 0.00 0.00 62.40 63.38 1p00 h SER 16 CO 0.80 -0.03 1.74 0.59 -1.14 0.00 0.00 176.83 178.79 1p00 n ASN 17 N -5.18 7.71 -0.23 3.07 4.13 -1.26 -4.81 115.26 118.70 1p00 n ASN 17 Ca 0.02 -3.39 -0.02 0.00 1.68 0.00 0.00 54.58 52.87 1p00 n ASN 17 Cb 0.19 -1.27 0.04 0.00 -1.54 0.00 0.00 39.78 37.20 1p00 n ASN 17 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1p00 h ARG 19 N -0.08 0.01 -0.20 0.00 9.65 -1.87 -0.25 114.38 121.64 1p00 h ARG 19 Ca 0.29 -0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 59.12 1p00 h ARG 19 Cb 0.54 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 1p00 h ARG 19 CO -0.72 0.01 -0.07 0.00 2.80 0.00 0.00 179.97 181.98 1p00 h ALA 20 N 1.15 0.27 -0.31 2.80 0.00 -1.64 -2.62 119.26 118.91 1p00 h ALA 20 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1p00 h ALA 20 Cb 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1p00 h ALA 20 CO -0.15 0.08 0.21 0.93 0.00 0.00 0.00 179.25 180.31 1p00 h GLU 21 N 0.10 0.41 -0.42 0.00 4.39 0.17 0.24 114.58 119.46 1p00 h GLU 21 Ca 0.05 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 1p00 h GLU 21 Cb 0.54 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1p00 h GLU 21 CO 0.02 0.28 0.25 0.00 -1.16 0.00 0.00 179.01 178.40 1p00 h LYS 23 N 0.55 1.19 -0.63 0.00 1.57 -1.18 0.16 116.57 118.24 1p00 h LYS 23 Ca 0.15 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1p00 h LYS 23 Cb 0.01 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 1p00 h LYS 23 CO -0.03 0.92 0.20 -0.09 -0.57 0.00 0.00 179.45 179.88 1p00 h ARG 24 N 1.18 0.97 0.32 3.15 1.12 0.03 -3.22 114.38 117.93 1p00 h ARG 24 Ca 0.29 -0.21 -0.02 0.00 -1.11 0.00 0.00 59.98 58.93 1p00 h ARG 24 Cb 0.12 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 29.94 1p00 h ARG 24 CO -0.04 0.85 -0.16 0.00 -3.11 0.00 0.00 179.97 177.52 1p00 h ARG 25 N 0.89 -0.42 0.00 0.20 3.08 -0.53 -3.47 114.38 114.14 1p00 h ARG 25 Ca 0.20 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1p00 h ARG 25 Cb 0.28 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1p00 h ARG 25 CO -0.01 -0.09 0.00 0.41 -1.07 0.00 0.00 179.97 179.22 1p00 n GLY 26 N -0.05 0.00 3.31 0.04 0.00 -0.19 -5.11 105.19 103.19 1p00 n GLY 26 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1p00 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p00 s TYR 27 N 0.00 1.69 0.10 1.61 1.51 0.38 -4.98 117.35 117.65 1p00 s TYR 27 Ca 0.00 -0.51 -0.21 0.00 -1.01 0.00 0.00 57.07 55.34 1p00 s TYR 27 Cb 0.00 -0.84 -0.10 0.00 -0.11 0.00 0.00 41.96 40.91 1p00 s TYR 27 CO 0.00 0.29 1.72 0.87 -1.11 0.00 0.00 175.55 177.32 1p00 h LYS 28 N 3.18 0.18 0.00 -0.62 1.57 -1.85 -3.30 116.57 115.73 1p00 h LYS 28 Ca -0.41 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1p00 h LYS 28 Cb 1.21 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1p00 h LYS 28 CO 0.53 0.17 0.00 0.41 -0.57 0.00 0.00 179.45 179.99 1p00 n GLY 29 N -1.00 4.20 0.00 3.86 0.00 -1.04 -4.81 105.19 106.40 1p00 n GLY 29 Ca -0.05 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1p00 n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p00 n GLY 30 N 0.00 1.22 3.61 -0.02 0.00 -1.26 -2.20 105.19 106.55 1p00 n GLY 30 Ca 0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 1p00 n GLY 30 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1p00 s HIS 31 N -2.00 -0.65 -0.18 1.61 -3.43 0.17 -3.85 115.29 106.97 1p00 s HIS 31 Ca 0.00 1.50 -0.25 0.00 -0.80 0.00 0.00 55.06 55.51 1p00 s HIS 31 Cb 0.00 0.33 -0.01 0.00 -1.43 0.00 0.00 32.58 31.46 1p00 s HIS 31 CO 0.00 -0.36 0.82 0.00 -2.00 0.00 0.00 174.74 173.20 1p00 n GLY 33 N 3.51 3.53 7.00 0.00 0.00 0.17 -4.89 105.19 114.51 1p00 n GLY 33 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1p00 n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1p00 n SER 34 N 0.00 0.00 -4.65 1.61 2.88 -1.26 -1.98 113.62 110.23 1p00 n SER 34 Ca 0.00 0.00 -0.47 0.00 -1.33 0.00 0.00 58.87 57.07 1p00 n SER 34 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1p00 n SER 34 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1p00 n PHE 35 N 0.54 2.25 -1.63 0.66 7.35 -1.26 -1.49 117.46 123.87 1p00 n PHE 35 Ca 0.00 -0.07 -0.13 0.00 -0.76 0.00 0.00 57.45 56.49 1p00 n PHE 35 Cb 0.00 -2.69 -0.04 0.00 0.35 0.00 0.00 39.48 37.10 1p00 n PHE 35 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1p00 n ALA 36 N 7.78 -0.33 -1.98 3.13 0.00 -1.26 -1.52 120.51 126.33 1p00 n ALA 36 Ca 0.25 0.19 -0.15 0.00 0.00 0.00 0.00 53.44 53.72 1p00 n ALA 36 Cb 0.33 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 1p00 n ALA 36 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1p00 n ASN 37 N -0.80 -4.34 -2.13 0.00 3.02 -0.56 -4.84 115.26 105.61 1p00 n ASN 37 Ca -0.14 0.24 -0.26 0.00 -0.03 0.00 0.00 54.58 54.39 1p00 n ASN 37 Cb 0.47 -3.79 0.14 0.00 -0.61 0.00 0.00 39.78 35.99 1p00 n ASN 37 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1p00 n VAL 38 N -2.88 3.25 -3.77 2.41 0.24 -0.57 -4.00 118.33 113.01 1p00 n VAL 38 Ca -0.17 -2.51 -0.15 0.00 -2.04 0.00 0.00 64.34 59.47 1p00 n VAL 38 Cb 0.58 -0.74 -0.16 0.00 -1.47 0.00 0.00 33.84 32.05 1p00 n VAL 38 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1p00 s ASN 39 N -1.76 0.08 -0.40 -1.34 0.01 -0.84 -0.25 114.94 110.44 1p00 s ASN 39 Ca 0.58 0.05 -0.21 0.00 -0.71 0.00 0.00 52.86 52.58 1p00 s ASN 39 Cb 0.48 -0.06 0.01 0.00 0.41 0.00 0.00 41.25 42.09 1p00 s ASN 39 CO 0.05 -0.13 0.64 0.00 -1.51 0.00 0.00 177.10 176.14 1p00 s TRP 41 N 2.77 2.94 -0.03 0.00 0.52 -0.00 -2.73 118.94 122.40 1p00 s TRP 41 Ca 0.23 -0.94 -0.30 0.00 0.02 0.00 0.00 56.10 55.11 1p00 s TRP 41 Cb -0.14 -2.07 -0.04 0.00 -1.15 0.00 0.00 33.47 30.06 1p00 s TRP 41 CO 0.17 -0.53 1.24 0.00 0.02 0.00 0.00 176.95 177.86 1p00 s GLU 43 N 2.14 3.74 0.00 0.00 2.02 -0.93 -3.35 118.70 122.31 1p00 s GLU 43 Ca 0.58 2.28 0.31 0.00 0.02 0.00 0.00 54.97 58.16 1p00 s GLU 43 Cb -0.27 -4.22 1.74 0.00 0.10 0.00 0.00 34.13 31.49 1p00 s GLU 43 CO 0.24 -1.41 2.14 -2.37 0.02 0.00 0.00 175.26 173.87