#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 2.27 -0.23 -1.24 2.47 -0.47 -4.90 119.74 117.63 1p00 s LYS 2 Ca 0.00 -0.86 -0.28 0.00 -1.56 0.00 0.00 55.97 53.26 1p00 s LYS 2 Cb 0.00 -2.46 0.01 0.00 -1.46 0.00 0.00 37.83 33.92 1p00 s LYS 2 CO 0.00 -0.38 1.01 -1.17 0.16 0.00 0.00 175.35 174.97 1p00 s LEU 3 N 1.35 4.10 -0.04 5.43 2.96 -1.26 0.44 118.68 131.65 1p00 s LEU 3 Ca -0.00 1.33 0.16 0.00 -0.22 0.00 0.00 54.13 55.39 1p00 s LEU 3 Cb -0.16 -3.49 -0.24 0.00 0.50 0.00 0.00 46.19 42.80 1p00 s LEU 3 CO -0.09 -0.65 0.31 2.30 -1.32 0.00 0.00 176.35 176.90 1p00 n ILE 4 N 5.32 0.17 0.00 6.68 -5.35 -0.94 -4.98 119.36 120.26 1p00 n ILE 4 Ca 0.11 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 1p00 n ILE 4 Cb 0.46 0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.37 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 1.66 -0.79 2.98 3.28 0.00 -1.25 -5.02 105.19 106.05 1p00 n GLY 5 Ca -0.07 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 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 0.92 0.08 1.61 0.01 0.12 -0.88 113.70 111.57 1p00 s SER 6 Ca 0.00 -0.14 0.25 0.00 1.31 0.00 0.00 55.95 57.37 1p00 s SER 6 Cb 0.00 -0.18 0.99 0.00 0.21 0.00 0.00 66.02 67.04 1p00 s SER 6 CO 0.00 0.07 1.79 0.00 0.41 0.00 0.00 173.24 175.50 1p00 s VAL 8 N -3.06 4.73 0.37 0.00 1.01 -1.25 -4.52 120.40 117.68 1p00 s VAL 8 Ca 0.11 1.77 -0.27 0.00 0.00 0.00 0.00 61.98 63.59 1p00 s VAL 8 Cb 0.15 -4.18 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 1p00 s VAL 8 CO 0.49 0.31 1.27 0.86 0.00 0.00 0.00 175.10 178.03 1p00 s TRP 9 N 0.19 2.98 -0.41 5.22 -0.00 -1.26 -3.76 118.94 121.90 1p00 s TRP 9 Ca 0.42 1.45 -0.00 0.00 -0.00 0.00 0.00 56.10 57.97 1p00 s TRP 9 Cb -0.21 -3.60 0.00 0.00 -0.00 0.00 0.00 33.47 29.66 1p00 s TRP 9 CO 0.25 -1.79 0.34 0.41 -0.00 0.00 0.00 176.95 176.16 1p00 n GLY 10 N 0.73 0.18 0.78 5.86 0.00 -1.26 -4.98 105.19 106.51 1p00 n GLY 10 Ca 0.02 -0.29 0.05 0.00 0.00 0.00 0.00 46.02 45.80 1p00 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p00 n ALA 11 N -2.10 2.66 -1.35 4.61 0.00 -1.25 -4.97 120.51 118.11 1p00 n ALA 11 Ca -0.09 -2.42 -0.13 0.00 0.00 0.00 0.00 53.44 50.79 1p00 n ALA 11 Cb 0.56 -0.51 -0.06 0.00 0.00 0.00 0.00 19.45 19.43 1p00 n ALA 11 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1p00 n VAL 12 N -0.42 0.00 -2.65 0.00 3.14 -1.26 -4.60 118.33 112.54 1p00 n VAL 12 Ca 0.10 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.45 1p00 n VAL 12 Cb 0.84 -1.45 -0.01 0.00 -1.06 0.00 0.00 33.84 32.15 1p00 n VAL 12 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1p00 n ASN 13 N -0.79 -1.13 -4.75 6.55 0.23 -1.26 -5.04 115.26 109.07 1p00 n ASN 13 Ca -0.13 -1.65 -0.41 0.00 -0.53 0.00 0.00 54.58 51.85 1p00 n ASN 13 Cb 0.53 0.97 -0.03 0.00 -2.08 0.00 0.00 39.78 39.17 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 0.04 3.19 -0.18 -2.53 5.04 -1.25 -0.70 117.35 120.96 1p00 s TYR 14 Ca 0.04 1.25 -0.04 0.00 -2.44 0.00 0.00 57.07 55.88 1p00 s TYR 14 Cb 0.07 -3.64 0.08 0.00 0.35 0.00 0.00 41.96 38.82 1p00 s TYR 14 CO -0.02 -1.95 0.22 -0.08 -1.34 0.00 0.00 175.55 172.38 1p00 s THR 15 N -0.23 -0.34 -0.09 4.34 -1.32 0.08 -4.90 115.64 113.19 1p00 s THR 15 Ca 0.55 0.01 -0.22 0.00 -1.21 0.00 0.00 61.69 60.82 1p00 s THR 15 Cb -0.38 -0.59 -0.18 0.00 -1.51 0.00 0.00 72.50 69.84 1p00 s THR 15 CO 0.42 -0.10 0.78 0.77 -2.21 0.00 0.00 174.62 174.28 1p00 h SER 16 N 8.31 -0.07 -0.80 8.08 4.64 -1.86 -3.34 113.55 128.51 1p00 h SER 16 Ca -0.16 -0.57 -0.59 0.00 -0.47 0.00 0.00 61.79 60.00 1p00 h SER 16 Cb 1.14 0.02 -0.11 0.00 -0.31 0.00 0.00 62.40 63.14 1p00 h SER 16 CO 0.24 0.64 1.70 0.59 -0.87 0.00 0.00 176.83 179.12 1p00 n ASN 17 N -4.78 7.36 -0.23 4.97 4.13 -1.26 -4.74 115.26 120.71 1p00 n ASN 17 Ca -0.08 -2.99 -0.00 0.00 1.68 0.00 0.00 54.58 53.19 1p00 n ASN 17 Cb 0.31 -1.36 0.07 0.00 -1.54 0.00 0.00 39.78 37.25 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 -0.02 0.13 -0.61 0.00 2.43 -1.85 -2.15 114.38 112.31 1p00 h ARG 19 Ca 0.32 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.43 1p00 h ARG 19 Cb 0.51 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1p00 h ARG 19 CO -0.70 0.26 0.27 0.00 -1.51 0.00 0.00 179.97 178.28 1p00 h ALA 20 N 0.87 0.79 -0.15 2.80 0.00 -1.65 -2.03 119.26 119.89 1p00 h ALA 20 Ca 0.03 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1p00 h ALA 20 Cb 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1p00 h ALA 20 CO -0.00 0.38 0.07 0.93 0.00 0.00 0.00 179.25 180.63 1p00 h GLU 21 N 0.84 0.16 -0.18 0.00 4.39 0.22 0.10 114.58 120.11 1p00 h GLU 21 Ca 0.21 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 1p00 h GLU 21 Cb 0.16 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1p00 h GLU 21 CO -0.02 0.10 0.11 0.00 -1.16 0.00 0.00 179.01 178.04 1p00 h LYS 23 N 0.22 1.05 -0.66 0.00 1.57 -1.17 -0.84 116.57 116.73 1p00 h LYS 23 Ca 0.06 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1p00 h LYS 23 Cb 0.02 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 1p00 h LYS 23 CO -0.01 0.69 0.13 -0.09 -0.57 0.00 0.00 179.45 179.60 1p00 h ARG 24 N 1.08 1.07 -0.95 3.15 2.43 -0.43 -2.73 114.38 118.00 1p00 h ARG 24 Ca 0.43 -0.27 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1p00 h ARG 24 Cb 0.23 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1p00 h ARG 24 CO -0.19 0.96 0.03 0.54 -1.51 0.00 0.00 179.97 179.80 1p00 n ARG 25 N -4.22 1.52 -2.36 0.20 1.74 0.14 -4.82 116.66 108.85 1p00 n ARG 25 Ca 0.05 -0.49 -0.01 0.00 -0.77 0.00 0.00 57.85 56.62 1p00 n ARG 25 Cb 0.27 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 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 0.13 0.67 3.31 -0.13 0.00 -1.03 -5.03 105.19 103.11 1p00 n GLY 26 Ca 0.06 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.02 1.71 0.20 1.61 2.02 -0.44 -4.99 117.35 114.44 1p00 s TYR 27 Ca 0.02 -0.50 -0.11 0.00 -0.37 0.00 0.00 57.07 56.11 1p00 s TYR 27 Cb -0.01 -0.86 0.14 0.00 -0.40 0.00 0.00 41.96 40.83 1p00 s TYR 27 CO 0.04 0.28 1.86 0.87 -1.57 0.00 0.00 175.55 177.03 1p00 h LYS 28 N 3.30 0.95 0.00 -0.62 1.79 -1.67 -3.34 116.57 116.99 1p00 h LYS 28 Ca -0.42 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1p00 h LYS 28 Cb 1.20 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 1p00 h LYS 28 CO 0.51 0.65 0.00 0.41 -1.08 0.00 0.00 179.45 179.94 1p00 n GLY 29 N -1.24 2.44 3.58 3.86 0.00 -1.18 -4.84 105.19 107.80 1p00 n GLY 29 Ca 0.06 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.09 -0.29 -0.24 -0.02 0.00 -1.26 -1.07 107.32 104.34 1p00 s GLY 30 Ca 0.00 2.01 -0.15 0.00 0.00 0.00 0.00 44.72 46.58 1p00 s GLY 30 CO 0.00 1.08 0.61 -2.38 0.00 0.00 0.00 173.10 172.41 1p00 s HIS 31 N -1.02 -0.88 -0.20 1.90 -3.43 0.63 -4.37 115.29 107.91 1p00 s HIS 31 Ca -0.02 1.84 -0.02 0.00 -0.80 0.00 0.00 55.06 56.06 1p00 s HIS 31 Cb -0.01 0.48 0.04 0.00 -1.43 0.00 0.00 32.58 31.66 1p00 s HIS 31 CO 0.02 -0.45 2.46 0.00 -2.00 0.00 0.00 174.74 174.77 1p00 s GLY 33 N 1.02 1.29 -0.02 0.00 0.00 -1.22 -3.81 107.32 104.58 1p00 s GLY 33 Ca 0.35 0.55 -0.29 0.00 0.00 0.00 0.00 44.72 45.33 1p00 s GLY 33 CO -0.05 2.99 1.29 -1.35 0.00 0.00 0.00 173.10 175.99 1p00 s SER 34 N 4.01 -0.01 -0.13 1.64 1.04 -1.26 -4.73 113.70 114.26 1p00 s SER 34 Ca 0.71 -0.17 -0.29 0.00 0.48 0.00 0.00 55.95 56.68 1p00 s SER 34 Cb -0.26 0.15 -0.06 0.00 0.10 0.00 0.00 66.02 65.94 1p00 s SER 34 CO 0.29 -0.28 2.01 0.12 0.98 0.00 0.00 173.24 176.35 1p00 s PHE 35 N -2.14 1.39 -1.70 5.02 5.36 -1.26 -0.87 117.98 123.77 1p00 s PHE 35 Ca 0.24 0.17 0.00 0.00 -0.96 0.00 0.00 56.93 56.38 1p00 s PHE 35 Cb 0.02 -4.06 0.00 0.00 -0.34 0.00 0.00 43.02 38.64 1p00 s PHE 35 CO -0.02 -4.40 0.00 0.00 -1.46 0.00 0.00 175.22 169.34 1p00 n ALA 36 N 9.55 -0.29 -2.89 11.12 0.00 -1.26 -4.18 120.51 132.55 1p00 n ALA 36 Ca 0.24 0.25 -0.02 0.00 0.00 0.00 0.00 53.44 53.91 1p00 n ALA 36 Cb 0.44 -1.76 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 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 -0.76 -5.56 0.00 0.00 4.13 -0.05 -5.01 115.26 108.01 1p00 n ASN 37 Ca -0.17 1.05 0.00 0.00 1.68 0.00 0.00 54.58 57.14 1p00 n ASN 37 Cb 0.56 -3.51 0.00 0.00 -1.54 0.00 0.00 39.78 35.29 1p00 n ASN 37 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1p00 n VAL 38 N 1.56 0.00 -2.69 2.41 3.14 -1.25 -4.72 118.33 116.79 1p00 n VAL 38 Ca -0.11 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.84 1p00 n VAL 38 Cb 0.30 -0.23 -0.03 0.00 -1.06 0.00 0.00 33.84 32.82 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 -3.78 7.27 -0.41 6.55 0.01 -1.26 -0.60 114.94 122.72 1p00 s ASN 39 Ca 0.00 1.57 -0.18 0.00 -0.71 0.00 0.00 52.86 53.54 1p00 s ASN 39 Cb 0.00 -2.56 0.02 0.00 0.41 0.00 0.00 41.25 39.12 1p00 s ASN 39 CO 0.00 -0.40 0.48 0.00 -1.51 0.00 0.00 177.10 175.66 1p00 s TRP 41 N 2.28 3.03 0.13 0.00 0.52 0.18 -2.21 118.94 122.88 1p00 s TRP 41 Ca 0.15 -0.48 -0.30 0.00 0.02 0.00 0.00 56.10 55.49 1p00 s TRP 41 Cb -0.16 -2.07 -0.06 0.00 -1.15 0.00 0.00 33.47 30.02 1p00 s TRP 41 CO 0.14 -0.24 0.98 0.00 0.02 0.00 0.00 176.95 177.85 1p00 s GLU 43 N -0.18 3.68 0.00 0.00 2.02 -0.23 -1.37 118.70 122.62 1p00 s GLU 43 Ca 0.47 1.37 0.29 0.00 0.02 0.00 0.00 54.97 57.11 1p00 s GLU 43 Cb -0.25 -4.03 1.73 0.00 0.10 0.00 0.00 34.13 31.68 1p00 s GLU 43 CO 0.31 -1.43 2.07 0.25 0.02 0.00 0.00 175.26 176.48