#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 3.66 -0.14 -1.24 2.47 0.29 -4.86 119.74 119.92 1p00 s LYS 2 Ca 0.00 -0.48 -0.27 0.00 -1.56 0.00 0.00 55.97 53.66 1p00 s LYS 2 Cb 0.00 -3.43 -0.02 0.00 -1.46 0.00 0.00 37.83 32.92 1p00 s LYS 2 CO 0.00 -0.22 0.88 -1.17 0.16 0.00 0.00 175.35 174.99 1p00 s LEU 3 N 1.64 4.21 0.00 5.43 1.98 -1.26 0.76 118.68 131.45 1p00 s LEU 3 Ca 0.06 1.30 0.00 0.00 -2.89 0.00 0.00 54.13 52.60 1p00 s LEU 3 Cb -0.16 -3.33 0.00 0.00 0.66 0.00 0.00 46.19 43.37 1p00 s LEU 3 CO 0.05 -0.39 0.00 2.30 -1.89 0.00 0.00 176.35 176.43 1p00 n ILE 4 N 4.58 0.00 0.00 6.68 -5.35 -1.02 -4.98 119.36 119.27 1p00 n ILE 4 Ca 0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 1p00 n ILE 4 Cb 0.49 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.78 1p00 n ILE 4 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p00 n GLY 5 N 2.42 -0.82 3.13 3.28 0.00 -1.22 -4.92 105.19 107.06 1p00 n GLY 5 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1p00 n GLY 5 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p00 s SER 6 N -4.00 -0.17 -0.15 1.61 0.15 -0.34 -0.87 113.70 109.93 1p00 s SER 6 Ca 0.00 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.90 1p00 s SER 6 Cb 0.00 0.38 0.16 0.00 -1.71 0.00 0.00 66.02 64.85 1p00 s SER 6 CO 0.00 -0.20 1.58 0.00 1.20 0.00 0.00 173.24 175.82 1p00 s VAL 8 N -1.08 2.01 0.18 0.00 1.01 -1.26 -4.70 120.40 116.56 1p00 s VAL 8 Ca 0.16 -1.05 -0.31 0.00 0.00 0.00 0.00 61.98 60.79 1p00 s VAL 8 Cb 0.13 -1.70 -0.09 0.00 0.00 0.00 0.00 36.38 34.73 1p00 s VAL 8 CO 0.02 0.56 1.40 0.86 0.00 0.00 0.00 175.10 177.93 1p00 s TRP 9 N -0.23 3.17 0.00 5.22 -0.00 -1.26 -2.94 118.94 122.89 1p00 s TRP 9 Ca -0.01 1.02 0.00 0.00 -0.00 0.00 0.00 56.10 57.11 1p00 s TRP 9 Cb -0.13 -3.72 0.00 0.00 -0.00 0.00 0.00 33.47 29.62 1p00 s TRP 9 CO 0.03 -2.41 0.00 0.41 -0.00 0.00 0.00 176.95 174.97 1p00 n GLY 10 N 2.81 2.76 3.77 5.86 0.00 -1.26 -5.07 105.19 114.05 1p00 n GLY 10 Ca 0.09 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.59 3.22 -0.00 4.61 0.00 -1.15 -4.86 121.76 122.99 1p00 s ALA 11 Ca 0.00 1.43 -0.02 0.00 0.00 0.00 0.00 51.96 53.37 1p00 s ALA 11 Cb 0.00 -3.58 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 1p00 s ALA 11 CO 0.00 -1.16 2.56 0.28 0.00 0.00 0.00 175.76 177.44 1p00 n VAL 12 N -0.21 2.34 -2.58 0.00 0.31 -1.26 -2.89 118.33 114.05 1p00 n VAL 12 Ca 0.05 -0.85 -0.02 0.00 -0.01 0.00 0.00 64.34 63.52 1p00 n VAL 12 Cb 0.42 -1.67 -0.01 0.00 -0.91 0.00 0.00 33.84 31.67 1p00 n VAL 12 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1p00 n ASN 13 N 1.84 -0.57 -4.72 4.52 0.23 -1.26 -5.04 115.26 110.25 1p00 n ASN 13 Ca 0.15 -1.32 -0.42 0.00 -0.53 0.00 0.00 54.58 52.46 1p00 n ASN 13 Cb 0.64 0.51 -0.03 0.00 -2.08 0.00 0.00 39.78 38.83 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 0.01 2.93 -0.44 -2.53 5.04 -1.14 -1.20 117.35 120.03 1p00 s TYR 14 Ca 0.01 0.46 0.07 0.00 -2.44 0.00 0.00 57.07 55.17 1p00 s TYR 14 Cb 0.03 -4.08 0.22 0.00 0.35 0.00 0.00 41.96 38.49 1p00 s TYR 14 CO -0.01 -4.01 0.61 0.25 -1.34 0.00 0.00 175.55 171.05 1p00 n THR 15 N 3.80 -0.53 0.04 4.34 -2.24 0.17 -4.89 114.28 114.97 1p00 n THR 15 Ca 0.15 -2.84 -0.12 0.00 -2.27 0.00 0.00 64.05 58.96 1p00 n THR 15 Cb 0.36 -0.60 -0.07 0.00 -2.10 0.00 0.00 70.33 67.92 1p00 n THR 15 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1p00 h SER 16 N 4.45 -0.01 -0.82 3.42 0.87 -1.84 -2.75 113.55 116.86 1p00 h SER 16 Ca 0.05 -0.06 -0.55 0.00 -1.23 0.00 0.00 61.79 60.00 1p00 h SER 16 Cb 0.96 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.80 1p00 h SER 16 CO 0.35 0.05 1.31 0.59 -0.53 0.00 0.00 176.83 178.61 1p00 n ASN 17 N -5.07 7.06 -0.29 6.23 4.13 -1.26 -4.75 115.26 121.31 1p00 n ASN 17 Ca -0.07 -3.01 -0.01 0.00 1.68 0.00 0.00 54.58 53.17 1p00 n ASN 17 Cb 0.06 -1.34 0.06 0.00 -1.54 0.00 0.00 39.78 37.02 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 -0.05 0.19 -0.43 0.00 2.43 -1.84 -1.25 114.38 113.42 1p00 h ARG 19 Ca 0.33 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.46 1p00 h ARG 19 Cb 0.59 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1p00 h ARG 19 CO -0.84 0.13 0.16 0.00 -1.51 0.00 0.00 179.97 177.91 1p00 h ALA 20 N 1.10 0.57 -0.53 2.80 0.00 -1.48 -1.80 119.26 119.92 1p00 h ALA 20 Ca 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1p00 h ALA 20 Cb 0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1p00 h ALA 20 CO -0.06 0.19 0.30 0.93 0.00 0.00 0.00 179.25 180.61 1p00 h GLU 21 N 0.56 0.74 -0.49 0.00 4.39 -0.27 -2.30 114.58 117.21 1p00 h GLU 21 Ca 0.14 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.67 1p00 h GLU 21 Cb 0.23 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1p00 h GLU 21 CO -0.01 0.56 -0.06 0.00 -1.16 0.00 0.00 179.01 178.34 1p00 h LYS 23 N 0.79 0.00 -0.38 0.00 1.57 -1.01 -1.22 116.57 116.32 1p00 h LYS 23 Ca 0.14 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1p00 h LYS 23 Cb 0.56 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1p00 h LYS 23 CO 0.03 0.12 0.24 0.00 -0.57 0.00 0.00 179.45 179.28 1p00 h ARG 24 N 0.00 0.47 0.01 3.15 3.08 -0.86 -2.88 114.38 117.35 1p00 h ARG 24 Ca -0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1p00 h ARG 24 Cb 0.24 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1p00 h ARG 24 CO 0.02 0.31 -0.00 0.00 -1.07 0.00 0.00 179.97 179.23 1p00 h ARG 25 N 0.49 -0.01 0.00 0.04 -0.00 -1.38 -3.47 114.38 110.04 1p00 h ARG 25 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.63 1p00 h ARG 25 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.94 1p00 h ARG 25 CO -0.05 0.41 0.00 0.41 0.00 0.00 0.00 179.97 180.74 1p00 n GLY 26 N 0.03 0.00 3.92 0.04 0.00 -0.58 -5.15 105.19 103.46 1p00 n GLY 26 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 3.48 0.34 1.61 2.02 -0.57 -4.98 117.35 119.26 1p00 s TYR 27 Ca 0.00 0.36 0.05 0.00 -0.37 0.00 0.00 57.07 57.11 1p00 s TYR 27 Cb 0.00 -1.86 0.71 0.00 -0.40 0.00 0.00 41.96 40.40 1p00 s TYR 27 CO 0.00 0.40 1.90 0.87 -1.57 0.00 0.00 175.55 177.15 1p00 h LYS 28 N 2.15 0.79 0.00 -0.62 1.79 -1.82 -3.36 116.57 115.50 1p00 h LYS 28 Ca -0.48 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 1p00 h LYS 28 Cb 1.19 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1p00 h LYS 28 CO 0.69 0.52 0.00 0.41 -1.08 0.00 0.00 179.45 179.99 1p00 n GLY 29 N -1.42 1.99 3.59 3.86 0.00 -1.09 -4.95 105.19 107.17 1p00 n GLY 29 Ca 0.15 -0.32 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 1p00 n GLY 29 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p00 s GLY 30 N 0.00 -0.18 -0.22 -0.02 0.00 -1.26 -1.39 107.32 104.25 1p00 s GLY 30 Ca 0.00 2.11 -0.27 0.00 0.00 0.00 0.00 44.72 46.57 1p00 s GLY 30 CO 0.00 0.92 0.86 -2.38 0.00 0.00 0.00 173.10 172.50 1p00 s HIS 31 N -1.45 -0.59 -0.15 1.90 -3.43 0.77 -3.71 115.29 108.63 1p00 s HIS 31 Ca 0.04 1.32 -0.26 0.00 -0.80 0.00 0.00 55.06 55.35 1p00 s HIS 31 Cb -0.01 0.36 -0.01 0.00 -1.43 0.00 0.00 32.58 31.48 1p00 s HIS 31 CO -0.03 -0.37 0.87 0.00 -2.00 0.00 0.00 174.74 173.21 1p00 n GLY 33 N 3.34 4.45 7.00 0.00 0.00 0.18 -4.71 105.19 115.45 1p00 n GLY 33 Ca 0.05 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.64 1.61 2.88 -1.26 -1.70 113.62 110.51 1p00 n SER 34 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1p00 n SER 34 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 13.82 2.33 -2.08 0.66 7.35 -1.26 -2.26 117.46 136.03 1p00 n PHE 35 Ca 0.00 -0.29 -0.09 0.00 -0.76 0.00 0.00 57.45 56.31 1p00 n PHE 35 Cb 0.00 -2.78 -0.02 0.00 0.35 0.00 0.00 39.48 37.04 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 8.79 -0.61 -3.70 3.13 0.00 -1.26 -1.26 120.51 125.60 1p00 n ALA 36 Ca 0.23 0.10 -0.28 0.00 0.00 0.00 0.00 53.44 53.49 1p00 n ALA 36 Cb 0.41 -1.19 0.02 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.19 -4.79 -0.11 0.00 4.13 -0.96 -4.87 115.26 107.47 1p00 n ASN 37 Ca -0.10 -0.64 -0.14 0.00 1.68 0.00 0.00 54.58 55.38 1p00 n ASN 37 Cb 0.49 -3.85 -0.12 0.00 -1.54 0.00 0.00 39.78 34.76 1p00 n ASN 37 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1p00 n VAL 38 N -4.52 1.33 -1.90 2.41 0.24 -0.39 -3.92 118.33 111.57 1p00 n VAL 38 Ca 0.02 -0.62 -0.42 0.00 -2.04 0.00 0.00 64.34 61.28 1p00 n VAL 38 Cb 0.54 -1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 31.85 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 -5.92 6.55 -0.39 -1.34 -0.87 -0.69 0.72 114.94 113.01 1p00 s ASN 39 Ca -0.23 2.66 -0.24 0.00 -1.57 0.00 0.00 52.86 53.47 1p00 s ASN 39 Cb 0.07 -2.59 0.02 0.00 -0.02 0.00 0.00 41.25 38.72 1p00 s ASN 39 CO 0.63 -0.85 0.85 0.00 -2.57 0.00 0.00 177.10 175.15 1p00 s TRP 41 N 3.33 2.87 0.07 0.00 0.52 0.38 -2.43 118.94 123.69 1p00 s TRP 41 Ca 0.34 -1.08 -0.31 0.00 0.02 0.00 0.00 56.10 55.07 1p00 s TRP 41 Cb -0.12 -2.00 -0.06 0.00 -1.15 0.00 0.00 33.47 30.14 1p00 s TRP 41 CO 0.20 -0.56 1.29 0.00 0.02 0.00 0.00 176.95 177.90 1p00 s GLU 43 N 1.24 3.71 0.00 0.00 2.02 -0.49 -0.55 118.70 124.63 1p00 s GLU 43 Ca 0.61 1.97 0.00 0.00 0.02 0.00 0.00 54.97 57.57 1p00 s GLU 43 Cb -0.32 -4.15 0.00 0.00 0.10 0.00 0.00 34.13 29.76 1p00 s GLU 43 CO 0.29 -1.42 0.00 2.41 0.02 0.00 0.00 175.26 176.57