#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 0.30 -0.22 0.11 2.47 -0.86 -4.79 119.74 116.75 1p00 s LYS 2 Ca 0.00 0.93 -0.24 0.00 -1.56 0.00 0.00 55.97 55.10 1p00 s LYS 2 Cb 0.00 0.18 -0.01 0.00 -1.46 0.00 0.00 37.83 36.54 1p00 s LYS 2 CO 0.00 -0.31 0.80 -1.17 0.16 0.00 0.00 175.35 174.83 1p00 s LEU 3 N 2.58 4.11 -0.04 5.43 1.98 -1.26 -0.05 118.68 131.43 1p00 s LEU 3 Ca 0.01 1.03 0.10 0.00 -2.89 0.00 0.00 54.13 52.38 1p00 s LEU 3 Cb -0.12 -3.15 -0.15 0.00 0.66 0.00 0.00 46.19 43.43 1p00 s LEU 3 CO -0.13 -0.45 0.16 2.30 -1.89 0.00 0.00 176.35 176.34 1p00 n ILE 4 N 5.06 0.24 0.00 6.68 -5.35 -1.09 -5.00 119.36 119.89 1p00 n ILE 4 Ca 0.04 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 1p00 n ILE 4 Cb 0.48 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.28 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 2.09 -0.69 3.01 3.28 0.00 -1.26 -4.84 105.19 106.78 1p00 n GLY 5 Ca -0.07 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 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 1.29 -0.10 1.61 0.15 -0.37 -1.10 113.70 111.19 1p00 s SER 6 Ca 0.00 -0.20 0.01 0.00 0.70 0.00 0.00 55.95 56.46 1p00 s SER 6 Cb 0.00 -0.36 0.14 0.00 -1.71 0.00 0.00 66.02 64.09 1p00 s SER 6 CO 0.00 0.07 1.24 0.00 1.20 0.00 0.00 173.24 175.75 1p00 s VAL 8 N -0.73 2.18 0.18 0.00 1.01 -1.26 -4.85 120.40 116.92 1p00 s VAL 8 Ca 0.12 -0.97 -0.31 0.00 0.00 0.00 0.00 61.98 60.82 1p00 s VAL 8 Cb 0.10 -1.85 -0.10 0.00 0.00 0.00 0.00 36.38 34.53 1p00 s VAL 8 CO 0.02 0.55 1.57 0.86 0.00 0.00 0.00 175.10 178.11 1p00 s TRP 9 N 0.45 3.03 0.00 5.22 -0.00 -1.26 -1.96 118.94 124.43 1p00 s TRP 9 Ca -0.15 0.64 0.00 0.00 -0.00 0.00 0.00 56.10 56.59 1p00 s TRP 9 Cb -0.17 -3.94 0.00 0.00 -0.00 0.00 0.00 33.47 29.36 1p00 s TRP 9 CO 0.06 -3.44 0.00 0.41 -0.00 0.00 0.00 176.95 173.98 1p00 n GLY 10 N 3.58 2.94 3.80 5.86 0.00 -1.26 -5.04 105.19 115.06 1p00 n GLY 10 Ca 0.13 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.75 2.79 0.44 4.61 0.00 -0.83 -4.99 121.76 121.04 1p00 s ALA 11 Ca 0.00 0.54 -0.25 0.00 0.00 0.00 0.00 51.96 52.25 1p00 s ALA 11 Cb 0.00 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.78 1p00 s ALA 11 CO 0.00 -0.59 1.40 0.14 0.00 0.00 0.00 175.76 176.71 1p00 s VAL 12 N -2.16 2.18 -1.13 0.00 -7.23 -1.26 -3.31 120.40 107.48 1p00 s VAL 12 Ca 0.66 0.16 -0.05 0.00 -1.81 0.00 0.00 61.98 60.94 1p00 s VAL 12 Cb -0.17 -3.09 -0.03 0.00 0.56 0.00 0.00 36.38 33.64 1p00 s VAL 12 CO 0.28 0.02 0.91 0.59 -0.31 0.00 0.00 175.10 176.60 1p00 n ASN 13 N -0.16 -4.42 -4.67 4.85 3.02 -1.26 -3.17 115.26 109.45 1p00 n ASN 13 Ca 0.05 -0.72 -0.49 0.00 -0.03 0.00 0.00 54.58 53.40 1p00 n ASN 13 Cb 0.42 -4.91 -0.05 0.00 -0.61 0.00 0.00 39.78 34.63 1p00 n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p00 n TYR 14 N -3.72 2.21 -3.50 3.10 9.36 -1.21 -1.23 117.16 122.16 1p00 n TYR 14 Ca -0.17 0.21 -0.42 0.00 3.32 0.00 0.00 57.90 60.84 1p00 n TYR 14 Cb 0.64 -2.57 -0.09 0.00 -0.63 0.00 0.00 39.34 36.69 1p00 n TYR 14 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1p00 s THR 15 N 2.48 4.76 0.17 2.97 2.01 0.16 -4.86 115.64 123.32 1p00 s THR 15 Ca 0.87 -1.16 -0.15 0.00 0.31 0.00 0.00 61.69 61.56 1p00 s THR 15 Cb -0.75 -3.84 0.05 0.00 0.01 0.00 0.00 72.50 67.97 1p00 s THR 15 CO 0.47 -0.50 1.76 0.28 -0.69 0.00 0.00 174.62 175.94 1p00 h SER 16 N 8.58 0.22 -1.43 3.53 0.02 -1.92 -3.39 113.55 119.16 1p00 h SER 16 Ca -0.26 0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 60.58 1p00 h SER 16 Cb 1.10 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.39 1p00 h SER 16 CO 0.80 0.16 -0.51 0.21 -1.14 0.00 0.00 176.83 176.36 1p00 s ASN 17 N -5.41 -0.36 0.14 3.07 2.47 -1.26 -5.06 114.94 108.53 1p00 s ASN 17 Ca -0.13 -0.58 -0.20 0.00 0.42 0.00 0.00 52.86 52.37 1p00 s ASN 17 Cb 0.13 1.41 0.02 0.00 -1.45 0.00 0.00 41.25 41.36 1p00 s ASN 17 CO 0.72 -0.28 1.16 0.00 -3.72 0.00 0.00 177.10 174.98 1p00 h ARG 19 N 0.00 0.31 -0.16 0.00 2.43 -1.91 -1.13 114.38 113.93 1p00 h ARG 19 Ca 0.17 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1p00 h ARG 19 Cb 0.35 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1p00 h ARG 19 CO -0.72 0.20 -0.00 0.00 -1.51 0.00 0.00 179.97 177.94 1p00 h ALA 20 N 1.26 0.21 -0.17 2.80 0.00 -1.06 -1.98 119.26 120.32 1p00 h ALA 20 Ca 0.19 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1p00 h ALA 20 Cb 0.17 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1p00 h ALA 20 CO -0.19 -0.09 -0.07 0.93 0.00 0.00 0.00 179.25 179.84 1p00 h GLU 21 N 0.02 -0.04 -0.81 0.00 4.39 -0.23 0.26 114.58 118.17 1p00 h GLU 21 Ca 0.04 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 1p00 h GLU 21 Cb 0.38 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 1p00 h GLU 21 CO 0.01 -0.03 0.36 0.00 -1.16 0.00 0.00 179.01 178.19 1p00 h LYS 23 N 1.16 1.09 -0.59 0.00 1.57 -0.87 0.74 116.57 119.67 1p00 h LYS 23 Ca 0.27 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1p00 h LYS 23 Cb 0.17 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1p00 h LYS 23 CO -0.03 1.02 0.30 -0.09 -0.57 0.00 0.00 179.45 180.07 1p00 h ARG 24 N 1.01 0.84 0.49 3.15 2.43 0.05 -3.14 114.38 119.20 1p00 h ARG 24 Ca 0.19 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1p00 h ARG 24 Cb 0.48 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1p00 h ARG 24 CO 0.02 0.67 -0.23 0.00 -1.51 0.00 0.00 179.97 178.91 1p00 h ARG 25 N 0.80 -0.63 0.00 0.20 3.08 -0.62 -3.48 114.38 113.73 1p00 h ARG 25 Ca 0.20 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1p00 h ARG 25 Cb 0.09 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1p00 h ARG 25 CO -0.03 -0.33 0.00 0.41 -1.07 0.00 0.00 179.97 178.95 1p00 n GLY 26 N -0.61 0.00 3.57 0.04 0.00 -0.00 -5.10 105.19 103.08 1p00 n GLY 26 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 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 2.49 0.22 1.61 2.02 0.04 -5.01 117.35 118.71 1p00 s TYR 27 Ca 0.00 -0.33 -0.08 0.00 -0.37 0.00 0.00 57.07 56.29 1p00 s TYR 27 Cb 0.00 -1.19 0.29 0.00 -0.40 0.00 0.00 41.96 40.67 1p00 s TYR 27 CO 0.00 0.63 1.78 0.87 -1.57 0.00 0.00 175.55 177.26 1p00 h LYS 28 N 2.03 0.58 0.00 -0.62 1.57 -1.75 -3.38 116.57 114.99 1p00 h LYS 28 Ca -0.42 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1p00 h LYS 28 Cb 1.25 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1p00 h LYS 28 CO 0.62 0.38 0.00 0.41 -0.57 0.00 0.00 179.45 180.29 1p00 n GLY 29 N -1.29 2.25 3.64 3.86 0.00 -1.20 -4.92 105.19 107.53 1p00 n GLY 29 Ca 0.10 -0.48 -0.04 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.14 0.17 -0.08 -0.02 0.00 -1.26 -0.63 107.32 105.36 1p00 s GLY 30 Ca 0.00 3.10 -0.05 0.00 0.00 0.00 0.00 44.72 47.77 1p00 s GLY 30 CO 0.00 1.60 0.19 -2.38 0.00 0.00 0.00 173.10 172.51 1p00 s HIS 31 N -0.36 -0.23 -0.09 1.90 -3.43 0.56 -3.54 115.29 110.10 1p00 s HIS 31 Ca 0.07 0.58 -0.22 0.00 -0.80 0.00 0.00 55.06 54.68 1p00 s HIS 31 Cb -0.03 0.01 -0.04 0.00 -1.43 0.00 0.00 32.58 31.09 1p00 s HIS 31 CO -0.11 -0.16 0.65 0.00 -2.00 0.00 0.00 174.74 173.12 1p00 n GLY 33 N 3.22 3.13 7.00 0.00 0.00 0.15 -4.85 105.19 113.84 1p00 n GLY 33 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.77 113.62 110.44 1p00 n SER 34 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 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 0.12 -1.23 0.00 0.00 175.04 173.93 1p00 s PHE 35 N 0.00 1.47 -1.30 0.66 5.36 -1.26 -2.32 117.98 120.59 1p00 s PHE 35 Ca 0.00 0.00 0.00 0.00 -0.96 0.00 0.00 56.93 55.97 1p00 s PHE 35 Cb 0.00 -4.09 0.00 0.00 -0.34 0.00 0.00 43.02 38.59 1p00 s PHE 35 CO 0.00 -4.61 0.00 0.00 -1.46 0.00 0.00 175.22 169.15 1p00 n ALA 36 N 8.57 -0.43 -3.84 11.12 0.00 -1.26 -1.80 120.51 132.87 1p00 n ALA 36 Ca 0.22 0.17 -0.27 0.00 0.00 0.00 0.00 53.44 53.56 1p00 n ALA 36 Cb 0.43 -1.47 0.03 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.05 -3.41 -0.11 0.00 3.02 -0.98 -4.90 115.26 107.84 1p00 n ASN 37 Ca -0.14 -0.80 -0.13 0.00 -0.03 0.00 0.00 54.58 53.48 1p00 n ASN 37 Cb 0.51 -3.92 -0.14 0.00 -0.61 0.00 0.00 39.78 35.61 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 -4.54 1.41 -2.93 2.41 0.24 -0.73 -4.34 118.33 109.85 1p00 n VAL 38 Ca -0.09 -0.75 -0.41 0.00 -2.04 0.00 0.00 64.34 61.05 1p00 n VAL 38 Cb 0.58 -0.79 -0.04 0.00 -1.47 0.00 0.00 33.84 32.13 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 -5.82 7.10 -0.24 -1.34 0.01 -0.86 -0.87 114.94 112.92 1p00 s ASN 39 Ca -0.18 1.33 -0.18 0.00 -0.71 0.00 0.00 52.86 53.12 1p00 s ASN 39 Cb 0.07 -2.46 -0.03 0.00 0.41 0.00 0.00 41.25 39.24 1p00 s ASN 39 CO 0.74 -0.19 0.50 0.00 -1.51 0.00 0.00 177.10 176.64 1p00 s TRP 41 N 2.08 2.82 0.22 0.00 0.52 -0.01 -2.68 118.94 121.88 1p00 s TRP 41 Ca 0.21 -1.44 -0.30 0.00 0.02 0.00 0.00 56.10 54.59 1p00 s TRP 41 Cb -0.16 -1.96 -0.08 0.00 -1.15 0.00 0.00 33.47 30.12 1p00 s TRP 41 CO 0.09 -0.73 1.02 0.00 0.02 0.00 0.00 176.95 177.35 1p00 s GLU 43 N -0.88 3.64 0.00 0.00 0.41 0.20 -2.04 118.70 120.04 1p00 s GLU 43 Ca 0.45 1.49 0.00 0.00 -0.41 0.00 0.00 54.97 56.50 1p00 s GLU 43 Cb -0.28 -4.08 0.00 0.00 -1.78 0.00 0.00 34.13 28.00 1p00 s GLU 43 CO 0.34 -1.48 0.00 -2.37 -0.49 0.00 0.00 175.26 171.26