#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1big s THR 3 N 0.00 0.12 -0.38 4.37 -4.23 -1.15 -4.96 115.64 109.41 1big s THR 3 Ca 0.00 -1.58 0.10 0.00 -1.18 0.00 0.00 61.69 59.03 1big s THR 3 Cb 0.00 -1.72 0.44 0.00 1.34 0.00 0.00 72.50 72.56 1big s THR 3 CO 0.00 -0.57 1.07 -0.67 -0.54 0.00 0.00 174.62 173.91 1big n ASP 4 N -0.08 3.58 -4.84 3.99 2.03 -1.26 -3.86 116.55 116.10 1big n ASP 4 Ca -0.10 -3.33 -0.25 0.00 0.52 0.00 0.00 54.79 51.63 1big n ASP 4 Cb 0.63 -0.47 -0.04 0.00 -0.72 0.00 0.00 41.12 40.51 1big n ASP 4 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1big s VAL 5 N -4.63 4.68 -0.35 5.18 0.11 -1.26 -4.93 120.40 119.20 1big s VAL 5 Ca 0.41 -1.09 -0.29 0.00 -2.93 0.00 0.00 61.98 58.08 1big s VAL 5 Cb 0.41 -3.44 -0.01 0.00 -1.53 0.00 0.00 36.38 31.81 1big s VAL 5 CO -0.09 -0.19 1.67 -0.54 -3.33 0.00 0.00 175.10 172.62 1big s LYS 6 N -3.39 3.42 0.15 1.54 1.02 -1.25 -2.91 119.74 118.33 1big s LYS 6 Ca 0.32 1.27 0.08 0.00 0.02 0.00 0.00 55.97 57.67 1big s LYS 6 Cb -0.10 -4.14 -0.04 0.00 -0.52 0.00 0.00 37.83 33.04 1big s LYS 6 CO 0.25 -1.75 -0.11 0.00 -0.92 0.00 0.00 175.35 172.82 1big n THR 8 N 0.34 0.74 0.00 0.00 5.66 -1.26 -4.00 114.28 115.76 1big n THR 8 Ca -0.12 -2.57 0.00 0.00 -3.05 0.00 0.00 64.05 58.31 1big n THR 8 Cb 0.54 0.83 0.00 0.00 -1.55 0.00 0.00 70.33 70.15 1big n THR 8 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1big n GLY 9 N -0.31 3.87 0.37 1.09 0.00 -1.26 -5.00 105.19 103.95 1big n GLY 9 Ca 0.05 -0.72 0.02 0.00 0.00 0.00 0.00 46.02 45.36 1big n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1big n SER 10 N 0.00 -0.53 -0.42 1.61 7.64 -1.26 -2.08 113.62 118.58 1big n SER 10 Ca 0.00 1.71 0.37 0.00 1.01 0.00 0.00 58.87 61.96 1big n SER 10 Cb 0.00 -0.44 0.64 0.00 -1.01 0.00 0.00 64.21 63.40 1big n SER 10 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1big h LYS 11 N 0.00 0.03 -0.50 1.43 2.10 -1.95 0.86 116.57 118.53 1big h LYS 11 Ca 0.39 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.03 1big h LYS 11 Cb 0.64 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.94 1big h LYS 11 CO -0.99 0.02 0.27 1.96 -2.00 0.00 0.00 179.45 178.71 1big h GLN 12 N 0.03 0.69 0.00 0.07 4.20 -1.74 -2.33 115.11 116.02 1big h GLN 12 Ca 0.86 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.50 1big h GLN 12 Cb 2.57 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 30.21 1big h GLN 12 CO -0.56 0.51 0.00 0.00 -0.67 0.00 0.00 178.83 178.11 1big h TRP 14 N 0.00 -0.74 -0.33 0.00 4.06 -1.47 0.11 115.95 117.58 1big h TRP 14 Ca 0.00 -0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.85 1big h TRP 14 Cb 0.47 0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.87 1big h TRP 14 CO 0.00 -0.46 -0.12 -1.00 -3.56 0.00 0.00 178.44 173.30 1big h PRO 15 N -1.03 0.66 -0.31 0.49 0.13 -1.74 -0.79 132.00 129.41 1big h PRO 15 Ca -0.08 -0.27 0.02 0.00 -0.87 0.00 0.00 66.00 64.80 1big h PRO 15 Cb 0.61 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.69 1big h PRO 15 CO 0.13 0.85 0.14 0.28 -0.23 0.00 0.00 178.00 179.18 1big h VAL 16 N 0.43 0.97 -0.25 1.56 2.07 -1.63 -0.20 116.25 119.20 1big h VAL 16 Ca 0.08 -0.10 -0.12 0.00 0.82 0.00 0.00 66.70 67.37 1big h VAL 16 Cb 0.63 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1big h VAL 16 CO 0.04 0.06 -0.32 0.00 0.02 0.00 0.00 177.57 177.37 1big h LYS 18 N 0.38 0.50 0.07 0.00 3.64 -0.71 0.17 116.57 120.62 1big h LYS 18 Ca 0.03 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1big h LYS 18 Cb 0.90 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1big h LYS 18 CO 0.08 0.33 -0.03 0.37 -2.27 0.00 0.00 179.45 177.92 1big h GLN 19 N 0.51 -0.09 0.81 1.90 -0.00 -0.77 -2.54 115.11 114.93 1big h GLN 19 Ca 0.61 0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 59.23 1big h GLN 19 Cb 1.15 0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.65 1big h GLN 19 CO -0.49 0.40 -0.46 1.98 0.00 0.00 0.00 178.83 180.26 1big h MET 20 N -0.62 -1.13 0.00 1.69 4.05 0.04 -3.42 114.93 115.55 1big h MET 20 Ca -0.01 0.08 -0.09 0.00 -0.28 0.00 0.00 59.70 59.40 1big h MET 20 Cb 0.53 0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 31.57 1big h MET 20 CO 0.02 -0.75 -1.00 1.19 0.23 0.00 0.00 176.91 176.59 1big n PHE 21 N -5.61 0.00 0.00 1.39 3.72 0.47 -5.06 117.46 112.37 1big n PHE 21 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 1big n PHE 21 Cb 0.48 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 1big n PHE 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1big n GLY 22 N 2.39 0.73 2.89 1.37 0.00 -0.73 -4.98 105.19 106.86 1big n GLY 22 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1big n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1big s LYS 23 N 0.00 1.49 0.00 1.61 -0.14 -1.24 -4.88 119.74 116.58 1big s LYS 23 Ca 0.00 -2.03 0.08 0.00 -1.36 0.00 0.00 55.97 52.66 1big s LYS 23 Cb 0.00 -2.89 0.45 0.00 -1.68 0.00 0.00 37.83 33.71 1big s LYS 23 CO 0.00 -1.05 0.99 -0.35 -0.76 0.00 0.00 175.35 174.18 1big n PRO 24 N 3.82 0.20 -4.82 -1.68 -0.04 -1.26 -3.10 135.00 128.13 1big n PRO 24 Ca 0.04 0.07 -0.31 0.00 -0.04 0.00 0.00 63.50 63.26 1big n PRO 24 Cb 0.37 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.20 1big n PRO 24 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1big s ASN 25 N -2.19 3.79 0.03 3.54 0.01 -1.26 -4.34 114.94 114.52 1big s ASN 25 Ca 0.10 -0.35 -0.27 0.00 -0.71 0.00 0.00 52.86 51.63 1big s ASN 25 Cb 0.05 -0.66 0.07 0.00 0.41 0.00 0.00 41.25 41.12 1big s ASN 25 CO 0.10 0.29 0.63 -0.83 -1.51 0.00 0.00 177.10 175.78 1big s GLY 26 N -1.10 -0.57 0.38 0.66 0.00 -1.26 -2.32 107.32 103.11 1big s GLY 26 Ca 0.13 0.96 0.04 0.00 0.00 0.00 0.00 44.72 45.85 1big s GLY 26 CO 0.03 0.62 0.13 -1.59 0.00 0.00 0.00 173.10 172.29 1big s LYS 27 N -2.14 1.84 0.30 2.90 -2.85 0.02 -4.18 119.74 115.63 1big s LYS 27 Ca -0.07 -2.10 0.09 0.00 -1.00 0.00 0.00 55.97 52.90 1big s LYS 27 Cb -0.00 -0.50 -0.05 0.00 -2.06 0.00 0.00 37.83 35.22 1big s LYS 27 CO 0.01 -0.45 0.01 0.00 0.10 0.00 0.00 175.35 175.02 1big n MET 29 N -0.94 0.82 -3.68 0.00 0.00 0.31 -4.85 117.12 108.77 1big n MET 29 Ca -0.05 -3.52 -0.20 0.00 0.00 0.00 0.00 57.70 53.93 1big n MET 29 Cb 0.60 -1.67 -0.02 0.00 0.00 0.00 0.00 33.22 32.14 1big n MET 29 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1big n ASN 30 N 2.06 -0.94 0.00 7.83 2.85 -1.26 -1.30 115.26 124.50 1big n ASN 30 Ca 0.26 -0.63 0.00 0.00 -0.11 0.00 0.00 54.58 54.10 1big n ASN 30 Cb 0.47 -0.77 0.00 0.00 1.24 0.00 0.00 39.78 40.72 1big n ASN 30 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1big n GLY 31 N -1.62 2.49 3.54 8.20 0.00 -1.26 -5.04 105.19 111.50 1big n GLY 31 Ca -0.10 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 1big n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1big s LYS 32 N 0.00 2.68 0.78 1.61 1.02 -0.42 -0.71 119.74 124.70 1big s LYS 32 Ca 0.00 -0.61 -0.11 0.00 0.02 0.00 0.00 55.97 55.27 1big s LYS 32 Cb 0.00 -2.51 0.06 0.00 -0.52 0.00 0.00 37.83 34.86 1big s LYS 32 CO 0.00 0.63 1.08 0.00 -0.92 0.00 0.00 175.35 176.15 1big s ARG 34 N -4.98 0.44 0.41 0.00 6.06 0.17 -2.93 118.95 118.12 1big s ARG 34 Ca 0.61 -0.72 0.07 0.00 -2.50 0.00 0.00 55.73 53.19 1big s ARG 34 Cb -0.16 0.16 -0.06 0.00 0.06 0.00 0.00 34.95 34.95 1big s ARG 34 CO 0.56 -0.09 0.10 0.00 -2.50 0.00 0.00 175.30 173.37 1big n TYR 36 N -1.11 0.15 0.35 0.00 4.02 -0.98 -4.77 117.16 114.82 1big n TYR 36 Ca -0.03 -0.33 0.04 0.00 -0.01 0.00 0.00 57.90 57.58 1big n TYR 36 Cb 0.65 -0.04 0.04 0.00 -0.02 0.00 0.00 39.34 39.97 1big n TYR 36 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28