#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p2n s PRO 2 N 0.00 3.56 0.56 5.56 0.02 -1.26 -4.90 135.00 138.54 1p2n s PRO 2 Ca 0.00 2.38 0.32 0.00 0.02 0.00 0.00 61.00 63.72 1p2n s PRO 2 Cb 0.00 -2.57 1.65 0.00 0.02 0.00 0.00 34.50 33.60 1p2n s PRO 2 CO 0.00 -0.90 2.13 -0.44 -0.33 0.00 0.00 177.00 177.46 1p2n h ASP 3 N 2.13 0.00 0.35 2.53 3.32 -2.01 -2.05 116.42 120.69 1p2n h ASP 3 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1p2n h ASP 3 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1p2n h ASP 3 CO 0.60 0.07 0.00 2.19 -1.72 0.00 0.00 179.24 180.38 1p2n h PHE 4 N 0.00 0.00 0.00 4.55 -5.15 -1.99 -0.85 116.94 113.50 1p2n h PHE 4 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1p2n h PHE 4 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.44 1p2n h PHE 4 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 1p2n n LEU 6 N -2.93 1.90 -4.77 0.00 4.77 -0.33 -4.59 117.00 111.05 1p2n n LEU 6 Ca 0.00 -0.63 -0.39 0.00 -0.03 0.00 0.00 56.01 54.96 1p2n n LEU 6 Cb 0.27 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 1p2n n LEU 6 CO 0.25 0.33 0.54 -1.61 -1.33 0.00 0.00 177.39 175.57 1p2n s GLU 7 N -2.15 4.65 0.81 3.23 0.41 -1.02 -4.97 118.70 119.67 1p2n s GLU 7 Ca 0.30 1.27 -0.11 0.00 -0.41 0.00 0.00 54.97 56.01 1p2n s GLU 7 Cb 0.20 -3.23 0.08 0.00 -1.78 0.00 0.00 34.13 29.40 1p2n s GLU 7 CO 0.39 0.53 1.14 -1.25 -0.49 0.00 0.00 175.26 175.58 1p2n s PRO 8 N -1.24 1.80 0.53 0.39 0.04 -1.26 -4.91 135.00 130.35 1p2n s PRO 8 Ca 0.38 1.44 -0.22 0.00 0.04 0.00 0.00 61.00 62.65 1p2n s PRO 8 Cb -0.24 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1p2n s PRO 8 CO 0.28 -2.03 1.37 -1.25 0.04 0.00 0.00 177.00 175.40 1p2n s PRO 9 N -4.56 3.21 -0.24 0.56 0.04 -1.26 -5.01 135.00 127.75 1p2n s PRO 9 Ca 0.66 2.26 0.02 0.00 0.04 0.00 0.00 61.00 63.98 1p2n s PRO 9 Cb -0.22 -2.31 0.05 0.00 0.04 0.00 0.00 34.50 32.07 1p2n s PRO 9 CO 0.54 -1.14 -0.11 -0.47 0.04 0.00 0.00 177.00 175.85 1p2n s TYR 10 N -1.29 2.91 0.10 0.56 5.04 -1.26 -5.00 117.35 118.41 1p2n s TYR 10 Ca 0.70 -2.02 -0.13 0.00 -2.44 0.00 0.00 57.07 53.18 1p2n s TYR 10 Cb -0.41 -1.82 -0.14 0.00 0.35 0.00 0.00 41.96 39.94 1p2n s TYR 10 CO 0.49 -0.83 1.32 1.15 -1.34 0.00 0.00 175.55 176.34 1p2n h THR 11 N 6.59 1.29 0.00 4.34 2.02 -1.95 -3.44 112.91 121.75 1p2n h THR 11 Ca -0.24 -1.87 0.00 0.00 0.77 0.00 0.00 66.41 65.08 1p2n h THR 11 Cb 1.07 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 1p2n h THR 11 CO 0.48 0.59 0.00 0.61 0.37 0.00 0.00 175.52 177.57 1p2n n GLY 12 N 0.60 -0.24 0.12 2.16 0.00 -1.26 -0.05 105.19 106.52 1p2n n GLY 12 Ca -0.07 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.27 1p2n n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p2n h PRO 13 N 0.00 0.00 -7.22 1.61 0.13 -1.95 -3.44 132.00 121.13 1p2n h PRO 13 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 1p2n h PRO 13 Cb 0.00 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.19 1p2n h PRO 13 CO 0.00 0.00 0.38 0.00 -0.23 0.00 0.00 178.00 178.15 1p2n n LEU 15 N -2.17 6.23 -4.97 0.00 4.77 -1.23 -4.36 117.00 115.27 1p2n n LEU 15 Ca 0.08 -3.91 -0.26 0.00 -0.03 0.00 0.00 56.01 51.90 1p2n n LEU 15 Cb 0.53 -0.79 0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1p2n n LEU 15 CO 0.49 1.29 0.65 0.00 -1.33 0.00 0.00 177.39 178.49 1p2n s ALA 16 N -3.44 3.23 -0.50 -1.18 0.00 -0.21 -5.04 121.76 114.61 1p2n s ALA 16 Ca 0.56 -1.54 0.06 0.00 0.00 0.00 0.00 51.96 51.04 1p2n s ALA 16 Cb 0.47 -2.26 0.23 0.00 0.00 0.00 0.00 23.12 21.55 1p2n s ALA 16 CO 0.05 -1.76 0.56 -2.13 0.00 0.00 0.00 175.76 172.48 1p2n n ARG 17 N -3.13 1.32 -3.68 0.00 0.63 -1.26 -4.28 116.66 106.26 1p2n n ARG 17 Ca 0.15 -3.80 -0.36 0.00 -0.92 0.00 0.00 57.85 52.92 1p2n n ARG 17 Cb 0.60 -1.71 -0.09 0.00 0.45 0.00 0.00 32.46 31.70 1p2n n ARG 17 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1p2n s ILE 18 N -1.44 5.32 -0.13 5.15 1.01 -0.48 -4.90 121.20 125.73 1p2n s ILE 18 Ca 0.35 0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.87 1p2n s ILE 18 Cb 0.12 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.10 1p2n s ILE 18 CO -0.10 0.36 1.17 -0.63 0.00 0.00 0.00 174.94 175.74 1p2n s ILE 19 N 0.98 4.40 0.28 2.92 1.01 -1.26 0.12 121.20 129.65 1p2n s ILE 19 Ca 0.07 1.70 0.02 0.00 0.00 0.00 0.00 60.65 62.44 1p2n s ILE 19 Cb -0.13 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 1p2n s ILE 19 CO 0.04 -0.08 0.10 -0.13 0.00 0.00 0.00 174.94 174.87 1p2n s ARG 20 N 2.80 1.48 0.05 2.79 1.81 -0.74 -4.93 118.95 122.20 1p2n s ARG 20 Ca 0.53 -1.81 0.07 0.00 -1.72 0.00 0.00 55.73 52.80 1p2n s ARG 20 Cb -0.21 -0.34 -0.03 0.00 -0.45 0.00 0.00 34.95 33.91 1p2n s ARG 20 CO 0.16 -0.30 -0.18 0.71 -0.68 0.00 0.00 175.30 175.01 1p2n s TYR 21 N -3.66 2.55 0.05 -0.53 1.51 0.32 -1.17 117.35 116.42 1p2n s TYR 21 Ca 0.37 -0.26 0.02 0.00 -1.01 0.00 0.00 57.07 56.19 1p2n s TYR 21 Cb 0.08 -1.45 -0.03 0.00 -0.11 0.00 0.00 41.96 40.45 1p2n s TYR 21 CO 0.14 0.26 -0.07 -0.59 -1.11 0.00 0.00 175.55 174.19 1p2n s PHE 22 N -0.94 0.65 -0.06 2.71 -0.71 0.05 -0.44 117.98 119.24 1p2n s PHE 22 Ca 0.15 -0.60 -0.24 0.00 -1.04 0.00 0.00 56.93 55.19 1p2n s PHE 22 Cb -0.10 -0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 41.27 1p2n s PHE 22 CO 0.06 -0.12 0.73 -0.47 -1.34 0.00 0.00 175.22 174.07 1p2n s TYR 23 N -1.91 3.59 -0.48 3.49 5.04 -1.26 -0.46 117.35 125.35 1p2n s TYR 23 Ca -0.06 1.29 -0.08 0.00 -2.44 0.00 0.00 57.07 55.78 1p2n s TYR 23 Cb -0.06 -2.84 0.12 0.00 0.35 0.00 0.00 41.96 39.54 1p2n s TYR 23 CO -0.01 0.08 0.34 1.21 -1.34 0.00 0.00 175.55 175.83 1p2n s ASN 24 N 0.82 5.64 0.57 4.32 3.84 -0.07 -4.80 114.94 125.27 1p2n s ASN 24 Ca 0.39 -2.02 0.27 0.00 0.21 0.00 0.00 52.86 51.70 1p2n s ASN 24 Cb -0.18 -1.98 1.64 0.00 -0.55 0.00 0.00 41.25 40.18 1p2n s ASN 24 CO 0.19 -0.65 2.16 0.00 -2.79 0.00 0.00 177.10 176.02 1p2n h ALA 25 N 8.27 1.77 -0.05 1.71 0.00 -1.83 0.23 119.26 129.37 1p2n h ALA 25 Ca -0.17 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1p2n h ALA 25 Cb 1.06 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1p2n h ALA 25 CO 0.82 -0.16 -0.35 0.87 0.00 0.00 0.00 179.25 180.44 1p2n h LYS 26 N 0.00 0.10 0.00 0.00 1.57 -1.94 -3.23 116.57 113.08 1p2n h LYS 26 Ca 0.05 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1p2n h LYS 26 Cb 0.26 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1p2n h LYS 26 CO -0.00 0.44 -1.77 0.00 -0.57 0.00 0.00 179.45 177.55 1p2n n ALA 27 N -2.47 2.38 -0.89 3.86 0.00 -0.63 -5.00 120.51 117.75 1p2n n ALA 27 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1p2n n ALA 27 Cb 0.41 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1p2n n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p2n n GLY 28 N 1.73 0.51 3.32 0.00 0.00 0.73 -5.04 105.19 106.45 1p2n n GLY 28 Ca -0.07 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 1p2n n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p2n s LEU 29 N 0.00 2.42 -0.02 0.99 1.02 -1.20 -4.73 118.68 117.16 1p2n s LEU 29 Ca 0.00 -1.11 -0.16 0.00 0.02 0.00 0.00 54.13 52.88 1p2n s LEU 29 Cb 0.00 -0.44 -0.05 0.00 0.02 0.00 0.00 46.19 45.72 1p2n s LEU 29 CO 0.00 -0.36 0.44 0.00 0.02 0.00 0.00 176.35 176.45 1p2n s GLN 31 N -0.68 1.51 0.38 0.00 -0.21 0.39 -4.91 119.66 116.15 1p2n s GLN 31 Ca 0.24 -1.76 -0.08 0.00 0.02 0.00 0.00 55.36 53.78 1p2n s GLN 31 Cb -0.17 -1.07 -0.06 0.00 1.00 0.00 0.00 33.01 32.72 1p2n s GLN 31 CO 0.13 0.02 0.71 0.95 -2.12 0.00 0.00 175.29 174.98 1p2n s THR 32 N -3.07 4.87 0.19 -0.19 -4.23 -1.26 -0.77 115.64 111.18 1p2n s THR 32 Ca 0.29 0.40 -0.18 0.00 -1.18 0.00 0.00 61.69 61.02 1p2n s THR 32 Cb 0.04 -3.75 0.03 0.00 1.34 0.00 0.00 72.50 70.16 1p2n s THR 32 CO 0.11 -0.51 0.53 0.72 -0.54 0.00 0.00 174.62 174.93 1p2n s PHE 33 N -2.34 -0.17 -0.23 3.99 -0.71 -0.31 -4.89 117.98 113.32 1p2n s PHE 33 Ca 0.49 -0.16 -0.17 0.00 -1.04 0.00 0.00 56.93 56.05 1p2n s PHE 33 Cb -0.10 0.41 -0.03 0.00 -1.21 0.00 0.00 43.02 42.08 1p2n s PHE 33 CO 0.33 -0.90 0.46 0.08 -1.34 0.00 0.00 175.22 173.84 1p2n s VAL 34 N -3.86 5.13 -0.13 -2.49 1.01 -1.26 -1.79 120.40 117.01 1p2n s VAL 34 Ca 0.08 0.80 -0.06 0.00 0.00 0.00 0.00 61.98 62.80 1p2n s VAL 34 Cb -0.01 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1p2n s VAL 34 CO -0.04 0.17 0.07 -0.47 0.00 0.00 0.00 175.10 174.82 1p2n s TYR 35 N 1.78 3.32 -0.52 5.22 5.04 0.12 -4.40 117.35 127.91 1p2n s TYR 35 Ca 0.20 0.24 0.25 0.00 -2.44 0.00 0.00 57.07 55.32 1p2n s TYR 35 Cb -0.15 -1.95 0.94 0.00 0.35 0.00 0.00 41.96 41.15 1p2n s TYR 35 CO 0.09 0.42 1.75 0.78 -1.34 0.00 0.00 175.55 177.25 1p2n h GLY 36 N 5.73 0.00 0.00 8.97 0.00 -0.65 -1.27 103.07 115.85 1p2n h GLY 36 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1p2n h GLY 36 CO 0.62 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.77 1p2n n GLY 37 N 0.45 1.64 3.14 4.60 0.00 -1.26 -1.04 105.19 112.71 1p2n n GLY 37 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1p2n n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2n n ARG 39 N 0.79 -7.78 -1.80 0.00 5.12 -1.26 -4.50 116.66 107.23 1p2n n ARG 39 Ca -0.19 0.83 -0.40 0.00 -1.93 0.00 0.00 57.85 56.16 1p2n n ARG 39 Cb 0.58 -5.89 0.01 0.00 -1.16 0.00 0.00 32.46 26.01 1p2n n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1p2n s ALA 40 N -3.33 3.33 0.82 7.54 0.00 -1.26 -4.87 121.76 123.99 1p2n s ALA 40 Ca 0.49 1.50 -0.07 0.00 0.00 0.00 0.00 51.96 53.88 1p2n s ALA 40 Cb -0.22 -3.60 0.16 0.00 0.00 0.00 0.00 23.12 19.46 1p2n s ALA 40 CO 0.73 -1.16 1.12 0.15 0.00 0.00 0.00 175.76 176.60 1p2n s LYS 41 N -2.35 1.27 0.38 0.00 1.02 -1.26 -5.00 119.74 113.80 1p2n s LYS 41 Ca 0.59 -0.83 0.19 0.00 0.02 0.00 0.00 55.97 55.94 1p2n s LYS 41 Cb -0.45 -2.14 0.65 0.00 -0.52 0.00 0.00 37.83 35.38 1p2n s LYS 41 CO 0.58 -1.83 1.72 0.00 -0.92 0.00 0.00 175.35 174.90 1p2n h ARG 42 N -0.97 0.00 -3.28 1.68 3.08 -1.95 -3.30 114.38 109.64 1p2n h ARG 42 Ca -0.39 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 58.94 1p2n h ARG 42 Cb 1.25 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.24 1p2n h ARG 42 CO 0.39 0.36 2.92 -1.71 -1.07 0.00 0.00 179.97 180.86 1p2n n ASN 43 N -3.47 6.50 -3.44 7.04 5.15 -1.26 -4.69 115.26 121.10 1p2n n ASN 43 Ca 0.00 -2.90 -0.07 0.00 -0.60 0.00 0.00 54.58 51.01 1p2n n ASN 43 Cb 0.52 -1.52 -0.08 0.00 -0.53 0.00 0.00 39.78 38.17 1p2n n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1p2n s ASN 44 N 1.70 -0.11 0.11 1.20 3.84 -1.24 -4.51 114.94 115.92 1p2n s ASN 44 Ca 0.53 0.57 0.07 0.00 0.21 0.00 0.00 52.86 54.24 1p2n s ASN 44 Cb 0.15 1.32 -0.04 0.00 -0.55 0.00 0.00 41.25 42.14 1p2n s ASN 44 CO -0.06 -0.27 -0.17 -0.36 -2.79 0.00 0.00 177.10 173.45 1p2n s PHE 45 N 2.61 1.57 -0.70 0.43 0.40 0.41 -4.92 117.98 117.77 1p2n s PHE 45 Ca 0.09 -0.47 0.26 0.00 -0.60 0.00 0.00 56.93 56.20 1p2n s PHE 45 Cb -0.14 -0.84 0.71 0.00 0.51 0.00 0.00 43.02 43.25 1p2n s PHE 45 CO -0.15 0.18 1.69 0.87 0.70 0.00 0.00 175.22 178.51 1p2n h LYS 46 N 3.85 0.00 -3.86 0.44 1.57 -1.92 0.93 116.57 117.58 1p2n h LYS 46 Ca -0.43 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.22 1p2n h LYS 46 Cb 1.19 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.32 1p2n h LYS 46 CO 0.44 0.00 -0.56 -1.54 -0.57 0.00 0.00 179.45 177.22 1p2n s SER 47 N -4.58 0.21 0.27 0.86 1.04 -1.26 -4.86 113.70 105.38 1p2n s SER 47 Ca 0.10 -0.56 -0.00 0.00 0.48 0.00 0.00 55.95 55.96 1p2n s SER 47 Cb 0.12 0.20 0.39 0.00 0.10 0.00 0.00 66.02 66.83 1p2n s SER 47 CO 0.62 -0.48 1.77 0.00 0.98 0.00 0.00 173.24 176.13 1p2n h ALA 48 N 3.78 1.14 -0.31 5.32 0.00 -1.97 -2.55 119.26 124.66 1p2n h ALA 48 Ca -0.32 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1p2n h ALA 48 Cb 1.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1p2n h ALA 48 CO 0.50 0.55 0.18 1.49 0.00 0.00 0.00 179.25 181.97 1p2n h GLU 49 N 0.64 0.42 -0.60 0.00 4.81 -1.99 0.50 114.58 118.36 1p2n h GLU 49 Ca 0.12 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1p2n h GLU 49 Cb 0.48 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1p2n h GLU 49 CO 0.03 0.34 0.37 -0.44 -0.73 0.00 0.00 179.01 178.57 1p2n h ASP 50 N 0.39 0.60 -0.20 1.04 3.32 -1.94 -0.71 116.42 118.92 1p2n h ASP 50 Ca 0.11 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1p2n h ASP 50 Cb 0.03 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1p2n h ASP 50 CO -0.02 0.42 0.11 0.00 -1.72 0.00 0.00 179.24 178.03 1p2n h LEU 52 N 0.22 0.49 -1.10 0.00 3.38 -0.60 0.17 115.31 117.87 1p2n h LEU 52 Ca 0.07 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1p2n h LEU 52 Cb 0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1p2n h LEU 52 CO -0.01 0.64 -0.19 0.03 0.09 0.00 0.00 178.44 179.00 1p2n h ARG 53 N 0.47 0.00 0.00 1.13 3.08 -0.94 -0.87 114.38 117.25 1p2n h ARG 53 Ca 0.09 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.77 1p2n h ARG 53 Cb 0.49 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.47 1p2n h ARG 53 CO 0.03 0.19 -2.40 2.41 -1.07 0.00 0.00 179.97 179.14 1p2n n THR 54 N -3.34 1.40 -0.02 2.04 -1.04 -0.81 -4.74 114.28 107.78 1p2n n THR 54 Ca 0.00 -0.75 0.00 0.00 -2.04 0.00 0.00 64.05 61.27 1p2n n THR 54 Cb 0.42 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 1p2n n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p2n n GLY 56 N 0.71 0.47 2.00 0.00 0.00 -0.33 -1.30 105.19 106.73 1p2n n GLY 56 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1p2n n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p2n n GLY 57 N 2.52 1.50 0.00 -0.02 0.00 -1.26 -4.96 105.19 102.97 1p2n n GLY 57 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.23 1p2n n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32