#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 3.53 -0.22 -1.24 2.47 -0.29 -4.88 119.74 119.11 1p00 s LYS 2 Ca 0.00 -0.57 -0.22 0.00 -1.56 0.00 0.00 55.97 53.62 1p00 s LYS 2 Cb 0.00 -2.96 -0.02 0.00 -1.46 0.00 0.00 37.83 33.39 1p00 s LYS 2 CO 0.00 0.04 0.68 -1.17 0.16 0.00 0.00 175.35 175.06 1p00 s LEU 3 N 0.89 4.11 -0.01 5.43 1.98 -1.26 0.21 118.68 130.04 1p00 s LEU 3 Ca -0.00 0.87 0.05 0.00 -2.89 0.00 0.00 54.13 52.16 1p00 s LEU 3 Cb -0.15 -2.96 -0.08 0.00 0.66 0.00 0.00 46.19 43.66 1p00 s LEU 3 CO 0.01 -0.35 0.12 2.30 -1.89 0.00 0.00 176.35 176.54 1p00 n ILE 4 N 4.93 0.00 0.00 6.68 -5.35 -1.22 -5.01 119.36 119.40 1p00 n ILE 4 Ca 0.01 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1p00 n ILE 4 Cb 0.49 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.81 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 2.13 -0.81 3.01 3.28 0.00 -1.26 -5.05 105.19 106.50 1p00 n GLY 5 Ca -0.01 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 1p00 n GLY 5 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p00 s SER 6 N -4.00 1.21 -0.45 1.61 0.01 0.05 -2.50 113.70 109.64 1p00 s SER 6 Ca 0.00 -0.19 -0.02 0.00 1.31 0.00 0.00 55.95 57.05 1p00 s SER 6 Cb 0.00 -0.28 0.23 0.00 0.21 0.00 0.00 66.02 66.18 1p00 s SER 6 CO 0.00 0.08 2.20 0.00 0.41 0.00 0.00 173.24 175.93 1p00 s VAL 8 N -2.94 1.07 -0.09 0.00 0.11 -1.25 -4.74 120.40 112.55 1p00 s VAL 8 Ca 0.45 -0.47 -0.29 0.00 -2.93 0.00 0.00 61.98 58.74 1p00 s VAL 8 Cb 0.34 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 34.17 1p00 s VAL 8 CO -0.08 0.34 1.58 0.86 -3.33 0.00 0.00 175.10 174.46 1p00 s TRP 9 N 0.52 2.15 0.00 1.54 -0.00 -1.26 -3.13 118.94 118.75 1p00 s TRP 9 Ca -0.11 0.38 0.00 0.00 -0.00 0.00 0.00 56.10 56.37 1p00 s TRP 9 Cb -0.14 -3.84 0.00 0.00 -0.00 0.00 0.00 33.47 29.49 1p00 s TRP 9 CO 0.03 -3.35 0.00 0.41 -0.00 0.00 0.00 176.95 174.03 1p00 n GLY 10 N 4.09 4.06 3.76 5.86 0.00 -1.26 -5.11 105.19 116.58 1p00 n GLY 10 Ca 0.17 -0.87 -0.38 0.00 0.00 0.00 0.00 46.02 44.94 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 2.84 0.00 4.61 0.00 -1.18 -4.87 121.76 123.15 1p00 s ALA 11 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1p00 s ALA 11 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1p00 s ALA 11 CO 0.00 -1.15 1.17 1.33 0.00 0.00 0.00 175.76 177.12 1p00 n VAL 12 N -0.92 1.17 -2.65 0.00 0.24 -1.26 -2.95 118.33 111.97 1p00 n VAL 12 Ca 0.10 -0.14 -0.02 0.00 -2.04 0.00 0.00 64.34 62.23 1p00 n VAL 12 Cb 0.46 -1.10 0.11 0.00 -1.47 0.00 0.00 33.84 31.84 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 0.87 -1.34 -4.70 -1.34 0.23 -1.26 -5.07 115.26 102.66 1p00 n ASN 13 Ca 0.00 -2.09 -0.42 0.00 -0.53 0.00 0.00 54.58 51.54 1p00 n ASN 13 Cb 0.44 0.65 -0.03 0.00 -2.08 0.00 0.00 39.78 38.77 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 0.12 3.02 -0.12 -2.53 5.04 -1.15 -0.77 117.35 120.96 1p00 s TYR 14 Ca 0.09 0.92 -0.19 0.00 -2.44 0.00 0.00 57.07 55.46 1p00 s TYR 14 Cb 0.38 -3.63 -0.04 0.00 0.35 0.00 0.00 41.96 39.03 1p00 s TYR 14 CO -0.11 -2.24 0.51 0.95 -1.34 0.00 0.00 175.55 173.32 1p00 s THR 15 N 1.96 5.16 0.28 4.34 -4.23 -0.70 -4.93 115.64 117.52 1p00 s THR 15 Ca 0.63 1.02 -0.03 0.00 -1.18 0.00 0.00 61.69 62.13 1p00 s THR 15 Cb -0.32 -3.85 0.26 0.00 1.34 0.00 0.00 72.50 69.93 1p00 s THR 15 CO 0.27 0.30 1.95 0.28 -0.54 0.00 0.00 174.62 176.88 1p00 h SER 16 N 6.82 1.03 -1.33 3.99 0.02 -1.94 -3.40 113.55 118.74 1p00 h SER 16 Ca -0.40 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.49 1p00 h SER 16 Cb 1.18 -0.26 -0.24 0.00 0.14 0.00 0.00 62.40 63.22 1p00 h SER 16 CO 0.75 0.74 -0.39 0.21 -1.14 0.00 0.00 176.83 177.01 1p00 s ASN 17 N -6.20 -0.75 0.16 3.07 3.84 -1.26 -5.06 114.94 108.74 1p00 s ASN 17 Ca -0.12 0.33 -0.23 0.00 0.21 0.00 0.00 52.86 53.05 1p00 s ASN 17 Cb 0.18 1.70 0.05 0.00 -0.55 0.00 0.00 41.25 42.63 1p00 s ASN 17 CO 0.80 -0.30 1.60 0.00 -2.79 0.00 0.00 177.10 176.42 1p00 h ARG 19 N -0.26 0.37 0.18 0.00 2.43 -1.89 -2.63 114.38 112.59 1p00 h ARG 19 Ca 0.16 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1p00 h ARG 19 Cb 0.53 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1p00 h ARG 19 CO -0.51 0.45 -0.08 0.00 -1.51 0.00 0.00 179.97 178.32 1p00 h ALA 20 N 0.90 -0.24 -0.42 2.80 0.00 -1.82 -1.33 119.26 119.16 1p00 h ALA 20 Ca 0.08 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1p00 h ALA 20 Cb 0.23 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1p00 h ALA 20 CO -0.00 -0.59 0.18 0.93 0.00 0.00 0.00 179.25 179.77 1p00 h GLU 21 N -0.33 0.36 -0.57 0.00 4.39 -0.81 -0.55 114.58 117.07 1p00 h GLU 21 Ca -0.02 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1p00 h GLU 21 Cb 0.26 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1p00 h GLU 21 CO 0.04 0.24 0.27 0.00 -1.16 0.00 0.00 179.01 178.39 1p00 h LYS 23 N 0.78 0.99 -0.74 0.00 1.57 -0.67 -1.26 116.57 117.23 1p00 h LYS 23 Ca 0.20 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1p00 h LYS 23 Cb 0.14 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 1p00 h LYS 23 CO -0.02 0.65 0.49 0.00 -0.57 0.00 0.00 179.45 180.00 1p00 h ARG 24 N 1.02 0.95 -1.00 3.15 3.08 -0.69 -2.24 114.38 118.65 1p00 h ARG 24 Ca 0.33 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.32 1p00 h ARG 24 Cb 0.02 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.85 1p00 h ARG 24 CO -0.12 0.63 0.01 0.54 -1.07 0.00 0.00 179.97 179.96 1p00 n ARG 25 N -4.59 1.02 -3.14 0.04 1.74 -0.72 -4.79 116.66 106.21 1p00 n ARG 25 Ca 0.07 -0.03 -0.14 0.00 -0.77 0.00 0.00 57.85 56.98 1p00 n ARG 25 Cb 0.03 -1.06 0.05 0.00 -1.02 0.00 0.00 32.46 30.47 1p00 n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p00 n GLY 26 N 0.44 -0.04 3.50 -0.13 0.00 -0.85 -5.03 105.19 103.08 1p00 n GLY 26 Ca 0.01 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.22 2.43 0.32 1.61 2.02 -0.56 -5.00 117.35 114.96 1p00 s TYR 27 Ca 0.28 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.68 1p00 s TYR 27 Cb -0.12 -1.14 0.53 0.00 -0.40 0.00 0.00 41.96 40.82 1p00 s TYR 27 CO 0.48 0.58 1.96 0.87 -1.57 0.00 0.00 175.55 177.88 1p00 h LYS 28 N 2.68 0.92 0.00 -0.62 1.79 -1.77 -3.36 116.57 116.21 1p00 h LYS 28 Ca -0.44 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 1p00 h LYS 28 Cb 1.23 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1p00 h LYS 28 CO 0.55 0.65 0.00 0.41 -1.08 0.00 0.00 179.45 179.97 1p00 n GLY 29 N -1.33 -0.90 3.63 3.86 0.00 -1.25 -4.89 105.19 104.31 1p00 n GLY 29 Ca 0.07 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 0.10 -0.01 -0.02 0.00 -1.26 -0.73 107.32 105.40 1p00 s GLY 30 Ca 0.00 2.98 0.03 0.00 0.00 0.00 0.00 44.72 47.72 1p00 s GLY 30 CO 0.00 1.60 -0.09 -2.38 0.00 0.00 0.00 173.10 172.23 1p00 s HIS 31 N -0.33 0.84 -0.14 1.90 -3.43 1.00 -3.88 115.29 111.25 1p00 s HIS 31 Ca 0.06 -0.18 -0.17 0.00 -0.80 0.00 0.00 55.06 53.97 1p00 s HIS 31 Cb -0.03 -0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 30.50 1p00 s HIS 31 CO -0.09 -0.05 0.41 0.00 -2.00 0.00 0.00 174.74 173.01 1p00 n GLY 33 N 3.40 2.60 7.00 0.00 0.00 -0.23 -4.81 105.19 113.15 1p00 n GLY 33 Ca -0.09 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.53 1.61 2.88 -1.26 -0.60 113.62 111.71 1p00 n SER 34 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 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 2.36 -1.10 0.66 5.36 -1.26 -4.12 117.98 119.89 1p00 s PHE 35 Ca 0.00 -0.19 -0.08 0.00 -0.96 0.00 0.00 56.93 55.70 1p00 s PHE 35 Cb 0.00 -4.58 -0.05 0.00 -0.34 0.00 0.00 43.02 38.05 1p00 s PHE 35 CO 0.00 -2.00 0.89 0.00 -1.46 0.00 0.00 175.22 172.65 1p00 n ALA 36 N 9.07 -2.43 -4.22 11.12 0.00 -1.26 -3.30 120.51 129.49 1p00 n ALA 36 Ca 0.04 0.03 -0.35 0.00 0.00 0.00 0.00 53.44 53.16 1p00 n ALA 36 Cb 0.49 -4.96 -0.06 0.00 0.00 0.00 0.00 19.45 14.92 1p00 n ALA 36 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1p00 n ASN 37 N -3.10 -0.58 -0.11 0.00 0.23 -1.03 -4.89 115.26 105.78 1p00 n ASN 37 Ca -0.11 -1.26 -0.22 0.00 -0.53 0.00 0.00 54.58 52.46 1p00 n ASN 37 Cb 0.62 -1.76 -0.12 0.00 -2.08 0.00 0.00 39.78 36.45 1p00 n ASN 37 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 1p00 n VAL 38 N -4.70 1.55 -3.55 3.53 3.14 0.23 -4.38 118.33 114.15 1p00 n VAL 38 Ca -0.27 -0.48 -0.38 0.00 -2.96 0.00 0.00 64.34 60.26 1p00 n VAL 38 Cb 0.66 -1.67 -0.06 0.00 -1.06 0.00 0.00 33.84 31.71 1p00 n VAL 38 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1p00 s ASN 39 N -6.93 6.69 -0.27 6.55 0.01 -1.06 -0.74 114.94 119.19 1p00 s ASN 39 Ca -0.34 0.82 -0.08 0.00 -0.71 0.00 0.00 52.86 52.55 1p00 s ASN 39 Cb 0.10 -2.22 -0.02 0.00 0.41 0.00 0.00 41.25 39.52 1p00 s ASN 39 CO 0.59 0.29 0.11 0.00 -1.51 0.00 0.00 177.10 176.58 1p00 s TRP 41 N 1.63 2.86 0.24 0.00 0.52 -0.14 -3.40 118.94 120.66 1p00 s TRP 41 Ca 0.06 -1.07 -0.30 0.00 0.02 0.00 0.00 56.10 54.81 1p00 s TRP 41 Cb -0.16 -1.99 -0.09 0.00 -1.15 0.00 0.00 33.47 30.09 1p00 s TRP 41 CO 0.05 -0.54 1.09 0.00 0.02 0.00 0.00 176.95 177.57 1p00 s GLU 43 N -1.06 4.06 0.00 0.00 0.41 0.10 -1.14 118.70 121.05 1p00 s GLU 43 Ca 0.46 2.13 0.00 0.00 -0.41 0.00 0.00 54.97 57.15 1p00 s GLU 43 Cb -0.31 -4.03 0.00 0.00 -1.78 0.00 0.00 34.13 28.01 1p00 s GLU 43 CO 0.38 -1.00 0.00 -2.37 -0.49 0.00 0.00 175.26 171.78