#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 3.34 0.50 5.56 0.02 -1.26 -4.90 135.00 138.25 1p2n s PRO 2 Ca 0.00 2.29 0.22 0.00 0.02 0.00 0.00 61.00 63.53 1p2n s PRO 2 Cb 0.00 -2.40 1.31 0.00 0.02 0.00 0.00 34.50 33.43 1p2n s PRO 2 CO 0.00 -1.05 2.06 -0.44 -0.33 0.00 0.00 177.00 177.24 1p2n h ASP 3 N 1.77 0.00 0.11 2.53 3.32 -2.01 -2.40 116.42 119.73 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 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1p2n h ASP 3 CO 0.59 0.13 0.00 2.19 -1.72 0.00 0.00 179.24 180.43 1p2n h PHE 4 N 0.00 0.00 0.00 4.55 -5.15 -1.98 -0.39 116.94 113.97 1p2n h PHE 4 Ca -0.00 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.76 1p2n h PHE 4 Cb 0.29 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.46 1p2n h PHE 4 CO 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 178.31 176.27 1p2n n LEU 6 N -3.19 1.67 -4.78 0.00 4.77 -0.15 -4.59 117.00 110.74 1p2n n LEU 6 Ca -0.01 -0.55 -0.38 0.00 -0.03 0.00 0.00 56.01 55.05 1p2n n LEU 6 Cb 0.26 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1p2n n LEU 6 CO 0.27 0.29 0.57 -1.61 -1.33 0.00 0.00 177.39 175.58 1p2n s GLU 7 N -2.27 4.60 0.77 3.23 0.41 -0.96 -4.96 118.70 119.52 1p2n s GLU 7 Ca 0.28 1.25 -0.13 0.00 -0.41 0.00 0.00 54.97 55.96 1p2n s GLU 7 Cb 0.20 -3.07 0.06 0.00 -1.78 0.00 0.00 34.13 29.54 1p2n s GLU 7 CO 0.44 0.45 1.16 -1.25 -0.49 0.00 0.00 175.26 175.56 1p2n s PRO 8 N -1.55 1.98 0.53 0.39 0.04 -1.26 -4.91 135.00 130.21 1p2n s PRO 8 Ca 0.42 1.55 -0.22 0.00 0.04 0.00 0.00 61.00 62.79 1p2n s PRO 8 Cb -0.22 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1p2n s PRO 8 CO 0.26 -1.91 1.36 -1.25 0.04 0.00 0.00 177.00 175.51 1p2n s PRO 9 N -4.30 3.25 -0.23 0.56 0.04 -1.26 -5.00 135.00 128.06 1p2n s PRO 9 Ca 0.69 2.25 0.02 0.00 0.04 0.00 0.00 61.00 64.00 1p2n s PRO 9 Cb -0.24 -2.33 0.05 0.00 0.04 0.00 0.00 34.50 32.02 1p2n s PRO 9 CO 0.50 -1.11 -0.11 -0.47 0.04 0.00 0.00 177.00 175.85 1p2n s TYR 10 N -1.29 2.86 0.07 0.56 5.04 -1.26 -5.00 117.35 118.33 1p2n s TYR 10 Ca 0.70 -1.99 -0.15 0.00 -2.44 0.00 0.00 57.07 53.18 1p2n s TYR 10 Cb -0.41 -1.80 -0.17 0.00 0.35 0.00 0.00 41.96 39.94 1p2n s TYR 10 CO 0.49 -0.82 1.26 1.15 -1.34 0.00 0.00 175.55 176.29 1p2n h THR 11 N 6.59 1.32 0.00 4.34 2.02 -1.95 -3.44 112.91 121.79 1p2n h THR 11 Ca -0.23 -1.92 0.00 0.00 0.77 0.00 0.00 66.41 65.03 1p2n h THR 11 Cb 1.07 2.10 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 1p2n h THR 11 CO 0.47 0.59 0.00 0.61 0.37 0.00 0.00 175.52 177.56 1p2n n GLY 12 N 0.72 -0.46 0.16 2.16 0.00 -1.26 -0.37 105.19 106.14 1p2n n GLY 12 Ca -0.08 -1.78 0.12 0.00 0.00 0.00 0.00 46.02 44.28 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 -7.26 1.61 0.13 -1.95 -3.44 132.00 121.09 1p2n h PRO 13 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1p2n h PRO 13 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 1p2n h PRO 13 CO 0.00 0.00 0.37 0.00 -0.23 0.00 0.00 178.00 178.14 1p2n n LEU 15 N -2.69 6.02 -4.98 0.00 4.77 -1.21 -4.40 117.00 114.50 1p2n n LEU 15 Ca 0.09 -4.17 -0.24 0.00 -0.03 0.00 0.00 56.01 51.65 1p2n n LEU 15 Cb 0.53 -0.72 0.11 0.00 -2.33 0.00 0.00 43.42 41.00 1p2n n LEU 15 CO 0.51 1.51 0.57 0.00 -1.33 0.00 0.00 177.39 178.65 1p2n s ALA 16 N -3.55 3.54 -0.52 -1.18 0.00 -0.08 -5.05 121.76 114.91 1p2n s ALA 16 Ca 0.55 -1.59 0.06 0.00 0.00 0.00 0.00 51.96 50.98 1p2n s ALA 16 Cb 0.46 -2.13 0.21 0.00 0.00 0.00 0.00 23.12 21.66 1p2n s ALA 16 CO 0.02 -1.49 0.52 -2.13 0.00 0.00 0.00 175.76 172.69 1p2n n ARG 17 N -2.89 1.26 -3.73 0.00 0.63 -1.26 -4.26 116.66 106.41 1p2n n ARG 17 Ca 0.14 -3.83 -0.36 0.00 -0.92 0.00 0.00 57.85 52.87 1p2n n ARG 17 Cb 0.60 -1.82 -0.10 0.00 0.45 0.00 0.00 32.46 31.60 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 -1.23 5.16 -0.08 5.15 1.01 -0.51 -4.91 121.20 125.79 1p2n s ILE 18 Ca 0.33 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.79 1p2n s ILE 18 Cb 0.08 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 1p2n s ILE 18 CO -0.12 0.36 1.21 -0.63 0.00 0.00 0.00 174.94 175.76 1p2n s ILE 19 N 1.02 4.26 0.22 2.92 1.01 -1.26 -0.07 121.20 129.30 1p2n s ILE 19 Ca 0.07 1.57 0.01 0.00 0.00 0.00 0.00 60.65 62.30 1p2n s ILE 19 Cb -0.14 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 1p2n s ILE 19 CO 0.04 -0.03 0.08 -0.13 0.00 0.00 0.00 174.94 174.90 1p2n s ARG 20 N 2.48 1.28 0.06 2.79 1.81 -0.75 -4.93 118.95 121.68 1p2n s ARG 20 Ca 0.56 -1.67 0.06 0.00 -1.72 0.00 0.00 55.73 52.96 1p2n s ARG 20 Cb -0.24 -0.12 -0.04 0.00 -0.45 0.00 0.00 34.95 34.11 1p2n s ARG 20 CO 0.20 -0.28 -0.14 0.71 -0.68 0.00 0.00 175.30 175.11 1p2n s TYR 21 N -3.84 2.67 0.04 -0.53 1.51 0.42 -1.05 117.35 116.56 1p2n s TYR 21 Ca 0.35 -0.19 0.01 0.00 -1.01 0.00 0.00 57.07 56.23 1p2n s TYR 21 Cb 0.07 -1.47 -0.02 0.00 -0.11 0.00 0.00 41.96 40.42 1p2n s TYR 21 CO 0.11 0.33 -0.05 -0.59 -1.11 0.00 0.00 175.55 174.24 1p2n s PHE 22 N -1.03 0.51 -0.06 2.71 -0.71 0.23 -0.53 117.98 119.09 1p2n s PHE 22 Ca 0.17 -0.57 -0.24 0.00 -1.04 0.00 0.00 56.93 55.25 1p2n s PHE 22 Cb -0.11 -0.32 -0.03 0.00 -1.21 0.00 0.00 43.02 41.35 1p2n s PHE 22 CO 0.08 -0.15 0.74 -0.47 -1.34 0.00 0.00 175.22 174.08 1p2n s TYR 23 N -1.70 3.58 -0.45 3.49 5.04 -1.26 -0.27 117.35 125.77 1p2n s TYR 23 Ca -0.10 1.30 -0.08 0.00 -2.44 0.00 0.00 57.07 55.75 1p2n s TYR 23 Cb -0.08 -2.85 0.11 0.00 0.35 0.00 0.00 41.96 39.49 1p2n s TYR 23 CO -0.01 0.06 0.30 1.21 -1.34 0.00 0.00 175.55 175.77 1p2n s ASN 24 N 0.84 5.60 0.42 4.32 3.84 -0.26 -4.79 114.94 124.91 1p2n s ASN 24 Ca 0.39 -1.89 0.12 0.00 0.21 0.00 0.00 52.86 51.70 1p2n s ASN 24 Cb -0.18 -1.97 0.97 0.00 -0.55 0.00 0.00 41.25 39.52 1p2n s ASN 24 CO 0.19 -0.64 1.97 0.00 -2.79 0.00 0.00 177.10 175.83 1p2n h ALA 25 N 8.36 1.95 -0.57 1.71 0.00 -1.83 0.14 119.26 129.02 1p2n h ALA 25 Ca -0.20 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1p2n h ALA 25 Cb 1.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1p2n h ALA 25 CO 0.81 -0.08 0.17 0.87 0.00 0.00 0.00 179.25 181.02 1p2n h LYS 26 N 0.48 0.86 0.00 0.00 1.57 -1.94 -3.08 116.57 114.46 1p2n h LYS 26 Ca 0.29 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 1p2n h LYS 26 Cb 0.49 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1p2n h LYS 26 CO -0.08 0.75 -1.57 0.00 -0.57 0.00 0.00 179.45 177.97 1p2n n ALA 27 N -2.46 2.32 -0.83 3.86 0.00 -0.77 -4.99 120.51 117.65 1p2n n ALA 27 Ca 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1p2n n ALA 27 Cb 0.21 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 1.33 0.53 3.45 0.00 0.00 0.41 -5.04 105.19 105.87 1p2n n GLY 28 Ca -0.08 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 1p2n n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1p2n s LEU 29 N 0.00 0.65 0.13 0.99 0.05 -1.19 -4.72 118.68 114.60 1p2n s LEU 29 Ca 0.00 -1.13 -0.17 0.00 0.05 0.00 0.00 54.13 52.88 1p2n s LEU 29 Cb 0.00 1.29 -0.07 0.00 -2.05 0.00 0.00 46.19 45.36 1p2n s LEU 29 CO 0.00 -1.06 0.58 0.00 -0.55 0.00 0.00 176.35 175.33 1p2n s GLN 31 N -1.67 1.30 0.37 0.00 -0.21 0.63 -4.91 119.66 115.17 1p2n s GLN 31 Ca 0.36 -1.62 -0.08 0.00 0.02 0.00 0.00 55.36 54.03 1p2n s GLN 31 Cb -0.17 -0.81 -0.06 0.00 1.00 0.00 0.00 33.01 32.98 1p2n s GLN 31 CO 0.19 0.02 0.70 0.95 -2.12 0.00 0.00 175.29 175.03 1p2n s THR 32 N -3.24 4.87 0.21 -0.19 -4.23 -1.26 -0.60 115.64 111.20 1p2n s THR 32 Ca 0.25 0.41 -0.17 0.00 -1.18 0.00 0.00 61.69 60.99 1p2n s THR 32 Cb 0.03 -3.74 0.02 0.00 1.34 0.00 0.00 72.50 70.15 1p2n s THR 32 CO 0.07 -0.47 0.53 0.72 -0.54 0.00 0.00 174.62 174.93 1p2n s PHE 33 N -2.29 -0.02 -0.26 3.99 -0.71 -0.22 -4.89 117.98 113.57 1p2n s PHE 33 Ca 0.49 -0.34 -0.15 0.00 -1.04 0.00 0.00 56.93 55.89 1p2n s PHE 33 Cb -0.10 0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 42.05 1p2n s PHE 33 CO 0.31 -0.96 0.39 0.08 -1.34 0.00 0.00 175.22 173.70 1p2n s VAL 34 N -3.91 5.17 -0.15 -2.49 1.01 -1.26 -1.82 120.40 116.95 1p2n s VAL 34 Ca 0.12 0.62 -0.08 0.00 0.00 0.00 0.00 61.98 62.65 1p2n s VAL 34 Cb -0.01 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1p2n s VAL 34 CO 0.01 0.16 0.11 -0.47 0.00 0.00 0.00 175.10 174.91 1p2n s TYR 35 N 1.99 3.44 -0.54 5.22 5.04 0.89 -4.38 117.35 129.01 1p2n s TYR 35 Ca 0.16 0.36 0.25 0.00 -2.44 0.00 0.00 57.07 55.40 1p2n s TYR 35 Cb -0.16 -2.02 0.93 0.00 0.35 0.00 0.00 41.96 41.07 1p2n s TYR 35 CO 0.09 0.47 1.74 0.78 -1.34 0.00 0.00 175.55 177.30 1p2n h GLY 36 N 5.83 0.00 0.00 8.97 0.00 -0.88 -1.35 103.07 115.64 1p2n h GLY 36 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1p2n h GLY 36 CO 0.66 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.81 1p2n n GLY 37 N 0.46 1.90 3.17 4.60 0.00 -1.26 -0.90 105.19 113.16 1p2n n GLY 37 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 0.37 -6.02 -1.74 0.00 1.74 -1.26 -4.56 116.66 105.20 1p2n n ARG 39 Ca -0.17 0.82 -0.42 0.00 -0.77 0.00 0.00 57.85 57.32 1p2n n ARG 39 Cb 0.60 -5.65 -0.00 0.00 -1.02 0.00 0.00 32.46 26.39 1p2n n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1p2n n ALA 40 N -4.13 1.83 -1.97 7.54 0.00 -1.26 -4.91 120.51 117.61 1p2n n ALA 40 Ca -0.05 0.35 -0.26 0.00 0.00 0.00 0.00 53.44 53.48 1p2n n ALA 40 Cb 0.59 -2.34 0.13 0.00 0.00 0.00 0.00 19.45 17.83 1p2n n ALA 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1p2n s LYS 41 N -1.99 1.42 0.38 0.00 1.02 -1.26 -5.00 119.74 114.31 1p2n s LYS 41 Ca 0.54 -0.82 0.19 0.00 0.02 0.00 0.00 55.97 55.90 1p2n s LYS 41 Cb -0.52 -2.17 0.67 0.00 -0.52 0.00 0.00 37.83 35.28 1p2n s LYS 41 CO 0.63 -1.71 1.72 0.00 -0.92 0.00 0.00 175.35 175.08 1p2n h ARG 42 N -0.86 0.00 -3.25 1.68 3.08 -1.95 -3.29 114.38 109.79 1p2n h ARG 42 Ca -0.40 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 58.93 1p2n h ARG 42 Cb 1.26 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.23 1p2n h ARG 42 CO 0.41 0.36 2.77 -1.71 -1.07 0.00 0.00 179.97 180.74 1p2n n ASN 43 N -3.48 6.45 -3.40 7.04 5.15 -1.26 -4.69 115.26 121.06 1p2n n ASN 43 Ca 0.00 -2.94 -0.07 0.00 -0.60 0.00 0.00 54.58 50.96 1p2n n ASN 43 Cb 0.51 -1.50 -0.07 0.00 -0.53 0.00 0.00 39.78 38.19 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 1.50 -0.11 0.12 1.20 3.84 -1.24 -4.53 114.94 115.72 1p2n s ASN 44 Ca 0.52 0.52 0.07 0.00 0.21 0.00 0.00 52.86 54.18 1p2n s ASN 44 Cb 0.15 1.33 -0.04 0.00 -0.55 0.00 0.00 41.25 42.14 1p2n s ASN 44 CO -0.06 -0.28 -0.18 -0.36 -2.79 0.00 0.00 177.10 173.44 1p2n s PHE 45 N 2.61 1.65 -0.72 0.43 0.40 0.31 -4.92 117.98 117.73 1p2n s PHE 45 Ca 0.10 -0.47 0.26 0.00 -0.60 0.00 0.00 56.93 56.21 1p2n s PHE 45 Cb -0.14 -0.87 0.67 0.00 0.51 0.00 0.00 43.02 43.19 1p2n s PHE 45 CO -0.16 0.22 1.63 1.63 0.70 0.00 0.00 175.22 179.24 1p2n n LYS 46 N 0.70 0.25 -3.90 0.44 5.02 -1.26 -0.43 118.16 118.99 1p2n n LYS 46 Ca -0.17 0.16 -0.10 0.00 -2.02 0.00 0.00 58.31 56.18 1p2n n LYS 46 Cb 0.56 -1.75 -0.10 0.00 -0.02 0.00 0.00 35.03 33.73 1p2n n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1p2n s SER 47 N -4.32 0.10 0.33 4.39 1.04 -1.26 -4.86 113.70 109.11 1p2n s SER 47 Ca 0.09 -0.36 0.03 0.00 0.48 0.00 0.00 55.95 56.19 1p2n s SER 47 Cb 0.13 0.21 0.57 0.00 0.10 0.00 0.00 66.02 67.03 1p2n s SER 47 CO 0.64 -0.44 1.89 0.00 0.98 0.00 0.00 173.24 176.31 1p2n h ALA 48 N 3.99 1.38 -0.13 5.32 0.00 -1.97 -2.53 119.26 125.31 1p2n h ALA 48 Ca -0.32 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1p2n h ALA 48 Cb 1.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1p2n h ALA 48 CO 0.45 0.45 0.07 1.49 0.00 0.00 0.00 179.25 181.71 1p2n h GLU 49 N 0.64 0.18 -0.77 0.00 4.81 -1.99 0.11 114.58 117.57 1p2n h GLU 49 Ca 0.15 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.40 1p2n h GLU 49 Cb 0.23 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 1p2n h GLU 49 CO -0.00 0.20 0.48 -0.44 -0.73 0.00 0.00 179.01 178.51 1p2n h ASP 50 N 0.12 0.78 -0.29 1.04 3.32 -1.93 -0.59 116.42 118.87 1p2n h ASP 50 Ca 0.05 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1p2n h ASP 50 Cb 0.07 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1p2n h ASP 50 CO -0.01 0.53 0.11 0.00 -1.72 0.00 0.00 179.24 178.15 1p2n h LEU 52 N 0.31 0.58 -1.10 0.00 3.38 -0.62 0.22 115.31 118.08 1p2n h LEU 52 Ca 0.10 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1p2n h LEU 52 Cb 0.19 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1p2n h LEU 52 CO -0.01 0.76 -0.39 0.03 0.09 0.00 0.00 178.44 178.92 1p2n h ARG 53 N 0.53 0.00 0.07 1.13 3.08 -0.96 -0.02 114.38 118.21 1p2n h ARG 53 Ca 0.09 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.77 1p2n h ARG 53 Cb 0.59 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 1p2n h ARG 53 CO 0.04 0.39 -2.12 2.41 -1.07 0.00 0.00 179.97 179.62 1p2n n THR 54 N -3.74 1.66 0.13 2.04 -1.04 -0.70 -4.67 114.28 107.96 1p2n n THR 54 Ca -0.01 -0.67 0.01 0.00 -2.04 0.00 0.00 64.05 61.35 1p2n n THR 54 Cb 0.47 -1.47 -0.01 0.00 -1.82 0.00 0.00 70.33 67.50 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 0.85 0.41 2.11 0.00 0.00 -0.02 -1.28 105.19 107.26 1p2n n GLY 56 Ca 0.01 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 2.45 1.27 0.00 -0.02 0.00 -1.26 -4.98 105.19 102.64 1p2n n GLY 57 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 1p2n n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32