#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cwx s THR 2 N 0.00 -0.00 -0.53 0.44 -1.32 -1.26 -5.10 115.64 107.87 1cwx s THR 2 Ca 0.00 -0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.52 1cwx s THR 2 Cb 0.00 0.00 0.16 0.00 -1.51 0.00 0.00 72.50 71.15 1cwx s THR 2 CO 0.00 0.00 0.37 0.21 -2.21 0.00 0.00 174.62 172.99 1cwx s ASN 3 N 1.94 3.24 -0.08 8.08 2.47 -1.26 -4.96 114.94 124.37 1cwx s ASN 3 Ca 0.15 -3.26 -0.03 0.00 0.42 0.00 0.00 52.86 50.13 1cwx s ASN 3 Cb 0.06 -1.03 -0.02 0.00 -1.45 0.00 0.00 41.25 38.81 1cwx s ASN 3 CO -0.17 -0.16 0.14 1.55 -3.72 0.00 0.00 177.10 174.75 1cwx h PRO 4 N 5.81 -0.12 0.00 0.43 0.13 -2.04 -3.49 132.00 132.72 1cwx h PRO 4 Ca 0.16 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1cwx h PRO 4 Cb 0.85 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1cwx h PRO 4 CO 0.53 -0.08 0.00 1.17 -0.23 0.00 0.00 178.00 179.39 1cwx n LYS 5 N -4.72 0.00 -2.69 0.86 4.81 -1.26 -5.13 118.16 110.03 1cwx n LYS 5 Ca -0.02 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.09 1cwx n LYS 5 Cb 0.05 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.04 1cwx n LYS 5 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1cwx s PRO 6 N 0.00 4.07 0.06 1.64 0.04 -1.26 -4.98 135.00 134.57 1cwx s PRO 6 Ca 0.00 1.25 0.21 0.00 0.04 0.00 0.00 61.00 62.50 1cwx s PRO 6 Cb 0.00 -2.20 -0.17 0.00 0.04 0.00 0.00 34.50 32.17 1cwx s PRO 6 CO 0.00 -0.19 0.71 1.04 0.04 0.00 0.00 177.00 178.61 1cwx n GLN 7 N -0.68 0.64 -3.31 4.56 6.02 -1.26 -4.90 117.38 118.44 1cwx n GLN 7 Ca 0.08 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.73 1cwx n GLN 7 Cb 0.53 -1.68 -0.06 0.00 1.02 0.00 0.00 30.24 30.05 1cwx n GLN 7 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1cwx s ARG 8 N -3.29 3.95 0.00 -1.09 0.52 -1.26 -4.82 118.95 112.96 1cwx s ARG 8 Ca -0.05 0.49 0.00 0.00 -0.52 0.00 0.00 55.73 55.65 1cwx s ARG 8 Cb 0.11 -2.73 0.00 0.00 0.52 0.00 0.00 34.95 32.84 1cwx s ARG 8 CO 0.84 0.35 0.00 1.17 0.02 0.00 0.00 175.30 177.69 1cwx n LYS 9 N 0.25 0.00 0.00 3.54 3.00 -1.26 -4.99 118.16 118.70 1cwx n LYS 9 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1cwx n LYS 9 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.55 1cwx n LYS 9 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1cwx n THR 10 N 0.00 0.00 -0.30 3.15 -2.24 -1.26 -4.54 114.28 109.10 1cwx n THR 10 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1cwx n THR 10 Cb 0.00 -0.28 -0.09 0.00 -2.10 0.00 0.00 70.33 67.86 1cwx n THR 10 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1cwx h LYS 11 N 0.00 -0.09 0.00 -0.78 6.56 -1.96 -3.46 116.57 116.83 1cwx h LYS 11 Ca 0.00 0.01 0.16 0.00 -1.06 0.00 0.00 60.65 59.76 1cwx h LYS 11 Cb 0.00 0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 31.64 1cwx h LYS 11 CO 0.00 -0.06 -0.21 -2.13 -2.06 0.00 0.00 179.45 174.98 1cwx n ARG 12 N -4.98 -1.19 -0.87 3.15 0.63 -1.26 -4.76 116.66 107.38 1cwx n ARG 12 Ca 0.00 0.78 -0.36 0.00 -0.92 0.00 0.00 57.85 57.36 1cwx n ARG 12 Cb 0.25 -1.45 0.09 0.00 0.45 0.00 0.00 32.46 31.79 1cwx n ARG 12 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1cwx n ASN 13 N -3.03 -2.86 0.00 6.15 3.02 -1.26 -4.89 115.26 112.38 1cwx n ASN 13 Ca 0.00 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1cwx n ASN 13 Cb 0.27 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 1cwx n ASN 13 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1cwx n THR 14 N -3.83 0.00 -4.38 3.41 -2.24 -1.26 -5.14 114.28 100.84 1cwx n THR 14 Ca -0.01 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1cwx n THR 14 Cb 0.69 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.80 1cwx n THR 14 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1cwx s ASN 15 N -0.88 3.48 1.00 3.42 4.22 -1.26 -5.13 114.94 119.78 1cwx s ASN 15 Ca 0.00 -0.73 -0.15 0.00 -2.14 0.00 0.00 52.86 49.84 1cwx s ASN 15 Cb 0.00 -0.30 0.20 0.00 1.28 0.00 0.00 41.25 42.43 1cwx s ASN 15 CO 0.00 0.17 1.17 0.54 -2.04 0.00 0.00 177.10 176.94 1cwx n ARG 16 N 0.73 -1.18 0.00 3.55 1.74 -1.26 -4.63 116.66 115.62 1cwx n ARG 16 Ca -0.16 -1.81 0.00 0.00 -0.77 0.00 0.00 57.85 55.10 1cwx n ARG 16 Cb 0.54 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 1cwx n ARG 16 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1cwx n ARG 17 N -3.51 0.00 0.12 5.56 3.00 -1.26 -4.81 116.66 115.76 1cwx n ARG 17 Ca 0.15 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 58.02 1cwx n ARG 17 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.97 1cwx n ARG 17 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1cwx h PRO 18 N 0.00 0.00 -1.71 -0.14 0.13 -2.00 -3.23 132.00 125.05 1cwx h PRO 18 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.88 1cwx h PRO 18 Cb 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 1cwx h PRO 18 CO 0.00 0.43 0.27 1.04 -0.23 0.00 0.00 178.00 179.51 1cwx n GLN 19 N -3.13 1.65 0.00 0.86 6.02 -1.26 -3.41 117.38 118.12 1cwx n GLN 19 Ca -0.01 -1.20 0.00 0.00 -0.01 0.00 0.00 57.00 55.79 1cwx n GLN 19 Cb 0.75 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.49 1cwx n GLN 19 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1cwx n ASP 20 N 0.79 0.00 0.00 1.08 2.03 -1.24 -4.75 116.55 114.45 1cwx n ASP 20 Ca 0.24 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.66 1cwx n ASP 20 Cb 0.57 0.12 0.63 0.00 -0.72 0.00 0.00 41.12 41.72 1cwx n ASP 20 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1cwx n VAL 21 N -1.82 0.00 -0.06 5.18 0.31 -1.22 -1.34 118.33 119.38 1cwx n VAL 21 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.44 1cwx n VAL 21 Cb 0.00 -0.46 0.25 0.00 -0.91 0.00 0.00 33.84 32.72 1cwx n VAL 21 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1cwx n LYS 22 N -0.89 2.58 -3.73 5.55 2.85 -1.23 -4.16 118.16 119.14 1cwx n LYS 22 Ca 0.16 -2.39 -0.24 0.00 -1.05 0.00 0.00 58.31 54.79 1cwx n LYS 22 Cb 0.07 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.96 1cwx n LYS 22 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1cwx n PHE 23 N 1.40 -2.08 -2.49 5.58 3.01 -0.45 -1.46 117.46 120.97 1cwx n PHE 23 Ca 0.20 0.77 -0.34 0.00 1.01 0.00 0.00 57.45 59.10 1cwx n PHE 23 Cb 0.58 -2.98 -0.03 0.00 -0.01 0.00 0.00 39.48 37.04 1cwx n PHE 23 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1cwx s PRO 24 N -5.03 3.79 -0.81 -1.08 0.04 -1.26 -1.81 135.00 128.84 1cwx s PRO 24 Ca 0.08 1.29 -0.02 0.00 0.04 0.00 0.00 61.00 62.39 1cwx s PRO 24 Cb -0.04 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1cwx s PRO 24 CO 0.88 -0.43 0.71 0.41 0.04 0.00 0.00 177.00 178.61 1cwx n GLY 25 N -0.47 -1.23 0.16 0.56 0.00 -1.26 -4.55 105.19 98.39 1cwx n GLY 25 Ca 0.09 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1cwx n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cwx n GLY 26 N -1.69 0.75 0.00 -0.02 0.00 -1.26 -5.10 105.19 97.87 1cwx n GLY 26 Ca -0.06 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1cwx n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cwx n GLY 27 N -0.12 -0.13 0.01 -0.02 0.00 -0.75 -4.94 105.19 99.25 1cwx n GLY 27 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.72 1cwx n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cwx n GLN 28 N 0.00 0.00 -0.32 1.61 6.02 -1.26 -4.21 117.38 119.22 1cwx n GLN 28 Ca 0.00 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1cwx n GLN 28 Cb 0.00 -1.82 0.00 0.00 1.02 0.00 0.00 30.24 29.44 1cwx n GLN 28 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1cwx n ILE 29 N -1.25 0.00 -0.57 5.09 -6.64 -0.53 -4.79 119.36 110.67 1cwx n ILE 29 Ca -0.00 0.00 0.08 0.00 -1.77 0.00 0.00 62.75 61.06 1cwx n ILE 29 Cb 0.31 0.00 0.26 0.00 -1.44 0.00 0.00 39.64 38.76 1cwx n ILE 29 CO 0.00 0.00 0.00 0.52 -1.77 0.00 0.00 176.55 175.30 1cwx n VAL 30 N -2.00 1.67 0.00 7.28 0.31 -1.26 -4.47 118.33 119.86 1cwx n VAL 30 Ca 0.00 -1.33 0.00 0.00 -0.01 0.00 0.00 64.34 63.00 1cwx n VAL 30 Cb 0.00 0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 1cwx n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1cwx n GLY 31 N 0.44 0.00 0.13 2.92 0.00 -1.26 -4.65 105.19 102.77 1cwx n GLY 31 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 1cwx n GLY 31 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1cwx h GLY 32 N 0.00 0.00 2.00 -0.02 0.00 -1.86 0.29 103.07 103.48 1cwx h GLY 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1cwx h GLY 32 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.54 175.92 1cwx n VAL 33 N -3.16 0.60 0.54 4.60 0.31 -1.26 -1.03 118.33 118.92 1cwx n VAL 33 Ca 0.00 0.12 0.08 0.00 -0.01 0.00 0.00 64.34 64.54 1cwx n VAL 33 Cb 0.74 -0.81 -0.10 0.00 -0.91 0.00 0.00 33.84 32.76 1cwx n VAL 33 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1cwx n TYR 34 N -1.62 0.00 1.03 3.52 4.02 -0.81 -3.94 117.16 119.37 1cwx n TYR 34 Ca 0.05 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.03 1cwx n TYR 34 Cb 0.25 -0.11 0.30 0.00 -0.02 0.00 0.00 39.34 39.76 1cwx n TYR 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1cwx n LEU 35 N -1.59 1.90 -0.05 7.72 4.77 0.96 -3.93 117.00 126.78 1cwx n LEU 35 Ca 0.01 -0.84 -0.22 0.00 -0.03 0.00 0.00 56.01 54.93 1cwx n LEU 35 Cb 0.31 -0.16 -0.13 0.00 -2.33 0.00 0.00 43.42 41.11 1cwx n LEU 35 CO 0.34 0.42 -0.70 0.18 -1.33 0.00 0.00 177.39 176.29 1cwx n LEU 36 N 0.49 2.27 -0.03 2.23 4.77 -1.04 -3.77 117.00 121.91 1cwx n LEU 36 Ca 0.15 0.31 -0.06 0.00 -0.03 0.00 0.00 56.01 56.38 1cwx n LEU 36 Cb 0.35 -1.04 -0.05 0.00 -2.33 0.00 0.00 43.42 40.34 1cwx n LEU 36 CO 0.12 0.58 0.19 1.55 -1.33 0.00 0.00 177.39 178.50 1cwx h PRO 37 N -0.45 -0.06 -0.99 3.23 0.13 -1.79 -3.31 132.00 128.76 1cwx h PRO 37 Ca -0.40 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.59 1cwx h PRO 37 Cb 1.69 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.74 1cwx h PRO 37 CO -0.07 0.33 0.18 2.89 -0.23 0.00 0.00 178.00 181.11 1cwx n ARG 38 N -4.76 1.46 -1.54 0.86 1.85 -1.25 -4.87 116.66 108.41 1cwx n ARG 38 Ca -0.05 -0.93 -0.25 0.00 -1.00 0.00 0.00 57.85 55.63 1cwx n ARG 38 Cb 0.20 -1.40 -0.11 0.00 -1.05 0.00 0.00 32.46 30.11 1cwx n ARG 38 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1cwx n ARG 39 N 0.01 0.48 -1.81 2.89 0.00 -1.25 -2.49 116.66 114.50 1cwx n ARG 39 Ca 0.17 -0.33 -0.01 0.00 -0.00 0.00 0.00 57.85 57.69 1cwx n ARG 39 Cb 0.83 -2.74 0.00 0.00 0.00 0.00 0.00 32.46 30.55 1cwx n ARG 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1cwx n GLY 40 N 6.28 -0.65 0.00 5.14 0.00 -1.26 -4.93 105.19 109.78 1cwx n GLY 40 Ca 0.52 0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.74 1cwx n GLY 40 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cwx n PRO 41 N -0.85 0.45 -3.91 1.61 -0.04 -1.04 -4.56 135.00 126.67 1cwx n PRO 41 Ca 0.01 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.14 1cwx n PRO 41 Cb 0.32 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.15 1cwx n PRO 41 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1cwx s ARG 42 N -2.54 1.93 -0.06 0.54 1.70 -1.26 -4.89 118.95 114.36 1cwx s ARG 42 Ca 0.29 -1.69 0.09 0.00 -0.47 0.00 0.00 55.73 53.96 1cwx s ARG 42 Cb 0.20 -3.32 0.14 0.00 -0.57 0.00 0.00 34.95 31.41 1cwx s ARG 42 CO 0.45 -0.90 1.05 1.28 -1.08 0.00 0.00 175.30 176.11 1cwx n LEU 43 N 4.47 1.29 0.00 -1.89 4.32 -1.26 -5.24 117.00 118.69 1cwx n LEU 43 Ca -0.03 -2.05 0.00 0.00 -0.02 0.00 0.00 56.01 53.90 1cwx n LEU 43 Cb 0.42 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 1cwx n LEU 43 CO 0.27 0.48 0.00 0.61 -1.22 0.00 0.00 177.39 177.53