#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cwx n THR 2 N 0.00 0.00 -2.89 2.46 -1.04 -1.26 -3.59 114.28 107.96 1cwx n THR 2 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1cwx n THR 2 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 1cwx n THR 2 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1cwx s ASN 3 N -4.00 -1.14 -1.37 8.00 2.47 -1.26 -5.06 114.94 112.58 1cwx s ASN 3 Ca 0.00 -1.00 -0.15 0.00 0.42 0.00 0.00 52.86 52.13 1cwx s ASN 3 Cb 0.00 1.48 0.00 0.00 -1.45 0.00 0.00 41.25 41.29 1cwx s ASN 3 CO 0.00 -0.08 2.23 -0.81 -3.72 0.00 0.00 177.10 174.72 1cwx n PRO 4 N 3.46 2.71 -0.05 0.43 -0.04 -1.24 -4.67 135.00 135.60 1cwx n PRO 4 Ca 0.13 -2.46 -0.10 0.00 -0.04 0.00 0.00 63.50 61.04 1cwx n PRO 4 Cb 0.59 -3.20 -0.09 0.00 -0.04 0.00 0.00 33.50 30.76 1cwx n PRO 4 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1cwx h LYS 5 N 6.21 -0.02 -7.35 0.54 3.64 -1.96 -3.46 116.57 114.16 1cwx h LYS 5 Ca 0.57 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 59.44 1cwx h LYS 5 Cb 0.62 0.01 0.07 0.00 -0.41 0.00 0.00 32.23 32.51 1cwx h LYS 5 CO 1.89 0.62 0.40 -1.25 -2.27 0.00 0.00 179.45 178.85 1cwx s PRO 6 N -2.21 3.41 -0.37 1.90 0.04 -1.26 -5.04 135.00 131.47 1cwx s PRO 6 Ca -0.13 0.82 -0.12 0.00 0.04 0.00 0.00 61.00 61.60 1cwx s PRO 6 Cb -0.02 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.48 1cwx s PRO 6 CO 0.47 -0.72 0.23 -0.65 0.04 0.00 0.00 177.00 176.38 1cwx s GLN 7 N -5.11 3.02 -0.87 4.56 -0.21 -1.26 -4.61 119.66 115.17 1cwx s GLN 7 Ca 0.56 -0.96 -0.05 0.00 0.02 0.00 0.00 55.36 54.93 1cwx s GLN 7 Cb -0.12 -3.80 -0.01 0.00 1.00 0.00 0.00 33.01 30.08 1cwx s GLN 7 CO 0.54 -0.65 0.70 0.54 -2.12 0.00 0.00 175.29 174.30 1cwx n ARG 8 N 5.06 -1.41 -3.61 2.91 1.74 -1.26 -4.99 116.66 115.10 1cwx n ARG 8 Ca -0.12 1.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.90 1cwx n ARG 8 Cb 0.47 -4.32 -0.05 0.00 -1.02 0.00 0.00 32.46 27.54 1cwx n ARG 8 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1cwx s LYS 9 N -4.35 0.33 -0.10 5.56 2.20 -1.26 -5.18 119.74 116.94 1cwx s LYS 9 Ca 0.13 0.09 -0.23 0.00 -0.36 0.00 0.00 55.97 55.60 1cwx s LYS 9 Cb -0.04 0.16 0.05 0.00 -1.51 0.00 0.00 37.83 36.49 1cwx s LYS 9 CO 0.82 -0.10 0.55 0.99 -0.36 0.00 0.00 175.35 177.25 1cwx s THR 10 N -1.02 0.01 0.06 3.43 2.01 -1.26 -4.80 115.64 114.07 1cwx s THR 10 Ca 0.03 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.92 1cwx s THR 10 Cb -0.01 -0.83 0.00 0.00 0.01 0.00 0.00 72.50 71.67 1cwx s THR 10 CO -0.03 -0.06 0.00 1.17 -0.69 0.00 0.00 174.62 175.00 1cwx n LYS 11 N 1.71 0.00 -1.79 4.92 4.81 -1.26 -5.15 118.16 121.40 1cwx n LYS 11 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 1cwx n LYS 11 Cb 0.56 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.61 1cwx n LYS 11 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1cwx n ARG 12 N -2.51 -4.99 -4.49 1.64 5.12 -1.26 -5.01 116.66 105.16 1cwx n ARG 12 Ca 0.00 3.59 -0.20 0.00 -1.93 0.00 0.00 57.85 59.31 1cwx n ARG 12 Cb 0.00 -3.95 -0.15 0.00 -1.16 0.00 0.00 32.46 27.20 1cwx n ARG 12 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1cwx s ASN 13 N -1.82 1.33 0.00 0.55 2.20 -1.26 -4.96 114.94 110.98 1cwx s ASN 13 Ca 0.00 -0.21 0.00 0.00 -0.94 0.00 0.00 52.86 51.71 1cwx s ASN 13 Cb 0.00 -0.18 0.00 0.00 -2.00 0.00 0.00 41.25 39.07 1cwx s ASN 13 CO 0.00 0.13 0.00 1.07 -2.94 0.00 0.00 177.10 175.36 1cwx n THR 14 N 2.87 0.00 -3.39 0.54 5.66 -1.26 -5.11 114.28 113.58 1cwx n THR 14 Ca -0.14 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 60.87 1cwx n THR 14 Cb 0.56 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.31 1cwx n THR 14 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1cwx s ASN 15 N -1.36 -0.95 0.86 1.09 2.47 -1.26 -5.16 114.94 110.62 1cwx s ASN 15 Ca 0.00 1.01 -0.12 0.00 0.42 0.00 0.00 52.86 54.17 1cwx s ASN 15 Cb 0.00 1.97 0.14 0.00 -1.45 0.00 0.00 41.25 41.90 1cwx s ASN 15 CO 0.00 -0.18 1.20 -0.13 -3.72 0.00 0.00 177.10 174.27 1cwx s ARG 16 N 2.77 1.34 0.00 0.43 0.52 -1.26 -4.85 118.95 117.89 1cwx s ARG 16 Ca 0.02 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.90 1cwx s ARG 16 Cb -0.11 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.38 1cwx s ARG 16 CO -0.18 -1.91 0.00 -2.13 0.02 0.00 0.00 175.30 171.09 1cwx n ARG 17 N -3.42 0.00 0.16 3.54 3.00 -1.26 -4.86 116.66 113.82 1cwx n ARG 17 Ca 0.12 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 58.02 1cwx n ARG 17 Cb 0.60 0.00 0.07 0.00 0.00 0.00 0.00 32.46 33.13 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 -1.66 -0.14 0.13 -2.01 -3.26 132.00 125.06 1cwx h PRO 18 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.69 1cwx h PRO 18 Cb 0.00 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 30.96 1cwx h PRO 18 CO 0.00 0.36 0.47 1.04 -0.23 0.00 0.00 178.00 179.64 1cwx n GLN 19 N -3.19 2.14 0.00 0.86 6.02 -1.26 -3.54 117.38 118.40 1cwx n GLN 19 Ca 0.03 -2.08 0.00 0.00 -0.01 0.00 0.00 57.00 54.94 1cwx n GLN 19 Cb 0.68 -1.90 0.00 0.00 1.02 0.00 0.00 30.24 30.04 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 0.40 0.00 0.00 1.08 2.03 -1.23 -4.69 116.55 114.14 1cwx n ASP 20 Ca 0.41 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.81 1cwx n ASP 20 Cb 0.57 0.00 0.56 0.00 -0.72 0.00 0.00 41.12 41.53 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 -1.50 0.00 0.49 5.18 0.31 -1.23 -1.51 118.33 120.07 1cwx n VAL 21 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 1cwx n VAL 21 Cb 0.00 -0.37 0.12 0.00 -0.91 0.00 0.00 33.84 32.68 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 -0.82 1.88 -3.64 5.55 2.85 -1.25 -4.62 118.16 118.10 1cwx n LYS 22 Ca 0.14 -1.81 -0.23 0.00 -1.05 0.00 0.00 58.31 55.36 1cwx n LYS 22 Cb 0.06 -1.38 0.01 0.00 -0.65 0.00 0.00 35.03 33.08 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 1.07 -2.16 0.00 5.58 3.72 -0.57 -4.07 117.46 121.04 1cwx n PHE 23 Ca 0.13 0.75 0.00 0.00 -0.05 0.00 0.00 57.45 58.27 1cwx n PHE 23 Cb 0.48 -3.20 0.00 0.00 -0.94 0.00 0.00 39.48 35.82 1cwx n PHE 23 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1cwx n PRO 24 N -3.00 0.00 0.14 -1.08 -0.04 -1.26 -2.72 135.00 127.03 1cwx n PRO 24 Ca -0.18 0.35 0.18 0.00 -0.04 0.00 0.00 63.50 63.81 1cwx n PRO 24 Cb 0.62 -0.92 0.65 0.00 -0.04 0.00 0.00 33.50 33.81 1cwx n PRO 24 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1cwx h GLY 25 N 0.00 0.00 0.00 0.55 0.00 -1.91 -2.40 103.07 99.31 1cwx h GLY 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1cwx h GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1cwx n GLY 26 N -1.44 -2.80 0.00 4.60 0.00 -1.24 -4.96 105.19 99.34 1cwx n GLY 26 Ca 0.06 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.95 -1.19 0.00 -0.02 0.00 -0.90 -4.98 105.19 97.15 1cwx n GLY 27 Ca 0.00 0.54 0.10 0.00 0.00 0.00 0.00 46.02 46.66 1cwx n GLY 27 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1cwx n GLN 28 N -0.09 0.56 0.00 1.61 7.27 -1.26 -4.95 117.38 120.52 1cwx n GLN 28 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 57.00 57.00 1cwx n GLN 28 Cb 0.00 -1.45 0.00 0.00 2.41 0.00 0.00 30.24 31.20 1cwx n GLN 28 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 177.06 177.57 1cwx n ILE 29 N -1.75 0.00 0.03 1.69 -6.64 -1.10 -4.81 119.36 106.79 1cwx n ILE 29 Ca 0.01 0.00 0.06 0.00 -1.77 0.00 0.00 62.75 61.05 1cwx n ILE 29 Cb 0.39 0.00 0.24 0.00 -1.44 0.00 0.00 39.64 38.84 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 1.36 0.00 7.28 0.31 -1.26 -4.00 118.33 120.01 1cwx n VAL 30 Ca 0.00 -0.81 0.00 0.00 -0.01 0.00 0.00 64.34 63.52 1cwx n VAL 30 Cb 0.00 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 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 0.74 0.54 0.11 2.92 0.00 -1.26 -4.64 105.19 103.59 1cwx n GLY 31 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.80 -1.16 103.07 102.08 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 -2.90 0.36 0.83 4.60 0.31 -1.26 -1.10 118.33 119.18 1cwx n VAL 33 Ca -0.06 0.07 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 1cwx n VAL 33 Cb 0.77 -0.68 -0.04 0.00 -0.91 0.00 0.00 33.84 32.98 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 -1.56 0.00 1.32 3.52 4.02 -1.10 -3.77 117.16 119.59 1cwx n TYR 34 Ca 0.06 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.08 1cwx n TYR 34 Cb 0.29 0.00 0.40 0.00 -0.02 0.00 0.00 39.34 40.01 1cwx n TYR 34 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 176.86 177.32 1cwx n LEU 35 N -0.62 1.40 0.01 7.72 -0.00 -0.25 -3.51 117.00 121.75 1cwx n LEU 35 Ca 0.06 -0.43 -0.20 0.00 -0.00 0.00 0.00 56.01 55.44 1cwx n LEU 35 Cb 0.35 -0.06 -0.14 0.00 -0.00 0.00 0.00 43.42 43.57 1cwx n LEU 35 CO 0.28 0.24 -0.14 -0.07 -0.00 0.00 0.00 177.39 177.71 1cwx h LEU 36 N 1.96 0.37 0.00 1.47 3.38 -1.61 -3.18 115.31 117.69 1cwx h LEU 36 Ca 0.00 -0.89 -0.00 0.00 0.09 0.00 0.00 57.88 57.07 1cwx h LEU 36 Cb 0.55 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1cwx h LEU 36 CO 0.00 1.45 -0.02 1.55 0.09 0.00 0.00 178.44 181.52 1cwx h PRO 37 N -0.44 0.00 -1.57 1.13 0.13 -1.78 -3.31 132.00 126.16 1cwx h PRO 37 Ca -0.20 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.67 1cwx h PRO 37 Cb 1.61 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.63 1cwx h PRO 37 CO 0.08 0.86 0.33 2.89 -0.23 0.00 0.00 178.00 181.93 1cwx n ARG 38 N -4.63 1.63 0.03 0.86 -4.01 -1.23 -4.53 116.66 104.78 1cwx n ARG 38 Ca -0.09 -1.24 0.22 0.00 -1.04 0.00 0.00 57.85 55.70 1cwx n ARG 38 Cb 0.42 -1.49 0.63 0.00 -3.04 0.00 0.00 32.46 28.98 1cwx n ARG 38 CO 0.00 0.00 0.00 -0.09 -3.04 0.00 0.00 177.63 174.50 1cwx h ARG 39 N 1.30 0.00 -5.26 2.89 2.43 -1.65 -3.46 114.38 110.63 1cwx h ARG 39 Ca 0.23 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.41 1cwx h ARG 39 Cb 0.99 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.44 1cwx h ARG 39 CO 0.59 0.00 -1.26 0.41 -1.51 0.00 0.00 179.97 178.20 1cwx n GLY 40 N -1.54 -4.13 3.84 2.80 0.00 -1.26 -4.97 105.19 99.94 1cwx n GLY 40 Ca 0.11 1.36 -0.30 0.00 0.00 0.00 0.00 46.02 47.20 1cwx n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cwx s PRO 41 N -0.63 2.23 -0.01 1.61 0.04 -1.26 -5.00 135.00 131.98 1cwx s PRO 41 Ca -0.21 0.45 0.18 0.00 0.04 0.00 0.00 61.00 61.46 1cwx s PRO 41 Cb 0.01 -1.95 -0.24 0.00 0.04 0.00 0.00 34.50 32.37 1cwx s PRO 41 CO 0.64 -1.48 0.59 0.54 0.04 0.00 0.00 177.00 177.33 1cwx n ARG 42 N -3.30 0.84 -2.56 4.56 1.74 -1.26 -4.61 116.66 112.06 1cwx n ARG 42 Ca 0.07 -0.08 -0.42 0.00 -0.77 0.00 0.00 57.85 56.65 1cwx n ARG 42 Cb 0.58 -1.39 0.01 0.00 -1.02 0.00 0.00 32.46 30.63 1cwx n ARG 42 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1cwx n LEU 43 N -1.76 6.91 0.00 0.55 4.32 -1.26 -5.37 117.00 120.39 1cwx n LEU 43 Ca 0.00 -5.00 0.00 0.00 -0.02 0.00 0.00 56.01 51.00 1cwx n LEU 43 Cb 0.37 -1.34 0.00 0.00 -1.62 0.00 0.00 43.42 40.83 1cwx n LEU 43 CO 0.37 1.70 0.00 0.61 -1.22 0.00 0.00 177.39 178.85