#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t8n n PRO 2 N 0.00 1.66 0.25 5.56 -0.02 -1.26 -4.90 135.00 136.28 1t8n n PRO 2 Ca 0.00 0.61 0.12 0.00 -2.02 0.00 0.00 63.50 62.20 1t8n n PRO 2 Cb 0.00 -2.47 0.65 0.00 -0.02 0.00 0.00 33.50 31.66 1t8n n PRO 2 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1t8n h ASP 3 N 1.49 0.00 0.28 2.55 3.32 -2.02 -2.42 116.42 119.62 1t8n h ASP 3 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1t8n h ASP 3 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1t8n h ASP 3 CO 0.57 0.15 0.00 2.19 -1.72 0.00 0.00 179.24 180.43 1t8n h PHE 4 N 0.00 0.00 0.00 4.55 -5.15 -1.98 -0.61 116.94 113.75 1t8n h PHE 4 Ca -0.00 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.76 1t8n h PHE 4 Cb 0.46 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.63 1t8n h PHE 4 CO 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 178.31 176.29 1t8n n LEU 6 N -3.13 1.49 -4.78 0.00 4.77 -0.24 -4.58 117.00 110.52 1t8n n LEU 6 Ca -0.01 -0.47 -0.37 0.00 -0.03 0.00 0.00 56.01 55.13 1t8n n LEU 6 Cb 0.25 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 1t8n n LEU 6 CO 0.26 0.27 0.57 -1.61 -1.33 0.00 0.00 177.39 175.55 1t8n s GLU 7 N -2.36 4.53 0.76 3.23 0.41 -0.93 -4.96 118.70 119.39 1t8n s GLU 7 Ca 0.26 1.21 -0.13 0.00 -0.41 0.00 0.00 54.97 55.90 1t8n s GLU 7 Cb 0.19 -2.94 0.06 0.00 -1.78 0.00 0.00 34.13 29.66 1t8n s GLU 7 CO 0.48 0.38 1.14 -1.25 -0.49 0.00 0.00 175.26 175.51 1t8n s PRO 8 N -1.81 2.10 0.47 0.39 0.04 -1.26 -4.91 135.00 130.01 1t8n s PRO 8 Ca 0.45 1.46 -0.25 0.00 0.04 0.00 0.00 61.00 62.70 1t8n s PRO 8 Cb -0.20 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 1t8n s PRO 8 CO 0.24 -1.81 1.43 -1.25 0.04 0.00 0.00 177.00 175.65 1t8n s PRO 9 N -4.39 3.58 -0.24 0.56 0.04 -1.26 -5.00 135.00 128.29 1t8n s PRO 9 Ca 0.67 2.41 0.02 0.00 0.04 0.00 0.00 61.00 64.15 1t8n s PRO 9 Cb -0.22 -2.59 0.05 0.00 0.04 0.00 0.00 34.50 31.78 1t8n s PRO 9 CO 0.50 -0.90 -0.10 -0.47 0.04 0.00 0.00 177.00 176.07 1t8n s TYR 10 N -1.21 2.93 0.11 0.56 5.04 -1.26 -5.00 117.35 118.52 1t8n s TYR 10 Ca 0.63 -2.06 -0.13 0.00 -2.44 0.00 0.00 57.07 53.07 1t8n s TYR 10 Cb -0.44 -1.82 -0.11 0.00 0.35 0.00 0.00 41.96 39.95 1t8n s TYR 10 CO 0.56 -0.83 1.38 1.15 -1.34 0.00 0.00 175.55 176.46 1t8n h THR 11 N 6.63 1.28 0.00 4.34 2.02 -1.95 -3.44 112.91 121.80 1t8n h THR 11 Ca -0.22 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.23 1t8n h THR 11 Cb 1.06 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 1t8n h THR 11 CO 0.47 0.56 0.00 0.61 0.37 0.00 0.00 175.52 177.53 1t8n n GLY 12 N 0.42 -0.32 0.21 2.16 0.00 -1.26 -0.12 105.19 106.27 1t8n n GLY 12 Ca -0.05 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.28 1t8n n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t8n h PRO 13 N 0.00 0.00 -7.26 1.61 0.13 -1.95 -3.44 132.00 121.09 1t8n h PRO 13 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1t8n h PRO 13 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 1t8n h PRO 13 CO 0.00 0.02 0.37 0.00 -0.23 0.00 0.00 178.00 178.16 1t8n n THR 15 N -2.66 2.95 -2.18 0.00 -2.24 -1.21 -4.36 114.28 104.58 1t8n n THR 15 Ca 0.08 -3.28 -0.27 0.00 -2.27 0.00 0.00 64.05 58.31 1t8n n THR 15 Cb 0.53 -0.89 0.14 0.00 -2.10 0.00 0.00 70.33 68.00 1t8n n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t8n s ALA 16 N -3.57 2.86 -0.52 6.98 0.00 0.17 -5.04 121.76 122.65 1t8n s ALA 16 Ca 0.54 -1.31 0.05 0.00 0.00 0.00 0.00 51.96 51.25 1t8n s ALA 16 Cb 0.45 -2.51 0.19 0.00 0.00 0.00 0.00 23.12 21.24 1t8n s ALA 16 CO 0.02 -1.92 0.44 -2.13 0.00 0.00 0.00 175.76 172.17 1t8n n ARG 17 N -3.32 0.94 -3.93 0.00 0.63 -1.26 -4.26 116.66 105.46 1t8n n ARG 17 Ca 0.14 -3.69 -0.35 0.00 -0.92 0.00 0.00 57.85 53.02 1t8n n ARG 17 Cb 0.60 -1.84 -0.10 0.00 0.45 0.00 0.00 32.46 31.57 1t8n n ARG 17 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1t8n s ILE 18 N -0.77 4.77 -0.16 5.15 1.01 -0.53 -4.91 121.20 125.77 1t8n s ILE 18 Ca 0.31 -0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.64 1t8n s ILE 18 Cb 0.04 -3.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 1t8n s ILE 18 CO -0.16 0.42 1.15 -0.63 0.00 0.00 0.00 174.94 175.73 1t8n s ILE 19 N 0.66 4.45 0.26 2.92 1.01 -1.26 0.12 121.20 129.37 1t8n s ILE 19 Ca 0.04 1.76 0.02 0.00 0.00 0.00 0.00 60.65 62.46 1t8n s ILE 19 Cb -0.13 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 1t8n s ILE 19 CO 0.02 -0.11 0.07 -0.13 0.00 0.00 0.00 174.94 174.79 1t8n s ARG 20 N 2.99 1.42 0.06 2.79 1.81 -0.75 -4.94 118.95 122.32 1t8n s ARG 20 Ca 0.51 -1.76 0.06 0.00 -1.72 0.00 0.00 55.73 52.82 1t8n s ARG 20 Cb -0.20 -0.39 -0.04 0.00 -0.45 0.00 0.00 34.95 33.88 1t8n s ARG 20 CO 0.14 -0.25 -0.12 0.71 -0.68 0.00 0.00 175.30 175.11 1t8n s TYR 21 N -3.65 2.72 0.04 -0.53 1.51 0.51 -1.03 117.35 116.92 1t8n s TYR 21 Ca 0.36 -0.15 0.01 0.00 -1.01 0.00 0.00 57.07 56.27 1t8n s TYR 21 Cb 0.08 -1.49 -0.02 0.00 -0.11 0.00 0.00 41.96 40.41 1t8n s TYR 21 CO 0.13 0.36 -0.06 -0.59 -1.11 0.00 0.00 175.55 174.28 1t8n s PHE 22 N -1.07 0.50 -0.08 2.71 -0.71 0.22 -0.31 117.98 119.24 1t8n s PHE 22 Ca 0.18 -0.55 -0.25 0.00 -1.04 0.00 0.00 56.93 55.27 1t8n s PHE 22 Cb -0.11 -0.32 -0.03 0.00 -1.21 0.00 0.00 43.02 41.36 1t8n s PHE 22 CO 0.09 -0.14 0.79 -0.47 -1.34 0.00 0.00 175.22 174.15 1t8n s TYR 23 N -1.60 3.55 -0.49 3.49 5.04 -1.26 -0.31 117.35 125.76 1t8n s TYR 23 Ca -0.11 1.34 -0.11 0.00 -2.44 0.00 0.00 57.07 55.75 1t8n s TYR 23 Cb -0.09 -2.92 0.12 0.00 0.35 0.00 0.00 41.96 39.42 1t8n s TYR 23 CO -0.01 -0.02 0.39 1.21 -1.34 0.00 0.00 175.55 175.78 1t8n s ASN 24 N 0.94 5.84 0.56 4.32 3.84 -0.19 -4.79 114.94 125.45 1t8n s ASN 24 Ca 0.40 -1.89 0.24 0.00 0.21 0.00 0.00 52.86 51.83 1t8n s ASN 24 Cb -0.18 -2.06 1.52 0.00 -0.55 0.00 0.00 41.25 39.97 1t8n s ASN 24 CO 0.18 -0.74 2.13 0.00 -2.79 0.00 0.00 177.10 175.89 1t8n h ALA 25 N 8.56 1.93 -0.09 1.71 0.00 -1.83 0.12 119.26 129.66 1t8n h ALA 25 Ca -0.23 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 1t8n h ALA 25 Cb 1.08 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1t8n h ALA 25 CO 0.91 -0.20 -0.51 0.87 0.00 0.00 0.00 179.25 180.33 1t8n h LYS 26 N 0.00 0.25 0.00 0.00 1.57 -1.92 -3.19 116.57 113.28 1t8n h LYS 26 Ca 0.07 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1t8n h LYS 26 Cb 0.31 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1t8n h LYS 26 CO -0.00 0.70 -1.68 0.00 -0.57 0.00 0.00 179.45 177.90 1t8n n ALA 27 N -2.47 3.30 -1.11 3.86 0.00 -0.77 -4.99 120.51 118.33 1t8n n ALA 27 Ca -0.02 -0.52 -0.04 0.00 0.00 0.00 0.00 53.44 52.86 1t8n n ALA 27 Cb 0.55 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 19.21 1t8n n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t8n n GLY 28 N 1.32 0.66 3.32 0.00 0.00 0.35 -5.02 105.19 105.82 1t8n n GLY 28 Ca -0.02 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 1t8n n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1t8n s LEU 29 N -0.83 1.02 0.12 0.99 0.05 -1.19 -4.72 118.68 114.13 1t8n s LEU 29 Ca 0.00 -1.09 -0.19 0.00 0.05 0.00 0.00 54.13 52.90 1t8n s LEU 29 Cb 0.00 0.92 -0.07 0.00 -2.05 0.00 0.00 46.19 44.99 1t8n s LEU 29 CO 0.00 -0.90 0.60 0.00 -0.55 0.00 0.00 176.35 175.50 1t8n s GLN 31 N -1.42 1.46 0.31 0.00 -0.21 0.57 -4.92 119.66 115.45 1t8n s GLN 31 Ca 0.33 -1.73 -0.06 0.00 0.02 0.00 0.00 55.36 53.92 1t8n s GLN 31 Cb -0.18 -1.01 -0.06 0.00 1.00 0.00 0.00 33.01 32.76 1t8n s GLN 31 CO 0.20 0.02 0.60 0.95 -2.12 0.00 0.00 175.29 174.94 1t8n s THR 32 N -3.11 4.97 0.21 -0.19 -4.23 -1.26 -0.61 115.64 111.41 1t8n s THR 32 Ca 0.28 0.20 -0.16 0.00 -1.18 0.00 0.00 61.69 60.83 1t8n s THR 32 Cb 0.04 -3.73 0.02 0.00 1.34 0.00 0.00 72.50 70.16 1t8n s THR 32 CO 0.10 -0.35 0.50 0.72 -0.54 0.00 0.00 174.62 175.05 1t8n s PHE 33 N -2.14 0.04 -0.25 3.99 -0.71 -0.20 -4.90 117.98 113.83 1t8n s PHE 33 Ca 0.46 -0.40 -0.17 0.00 -1.04 0.00 0.00 56.93 55.78 1t8n s PHE 33 Cb -0.11 0.33 -0.03 0.00 -1.21 0.00 0.00 43.02 42.00 1t8n s PHE 33 CO 0.30 -0.94 0.45 0.08 -1.34 0.00 0.00 175.22 173.76 1t8n s VAL 34 N -3.92 5.13 -0.16 -2.49 1.01 -1.26 -1.82 120.40 116.89 1t8n s VAL 34 Ca 0.13 0.76 -0.07 0.00 0.00 0.00 0.00 61.98 62.80 1t8n s VAL 34 Cb -0.01 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1t8n s VAL 34 CO 0.01 0.14 0.08 -0.47 0.00 0.00 0.00 175.10 174.87 1t8n s TYR 35 N 2.01 3.34 -0.54 5.22 5.04 0.12 -4.38 117.35 128.17 1t8n s TYR 35 Ca 0.19 0.23 0.23 0.00 -2.44 0.00 0.00 57.07 55.28 1t8n s TYR 35 Cb -0.15 -2.03 0.95 0.00 0.35 0.00 0.00 41.96 41.07 1t8n s TYR 35 CO 0.09 0.33 1.71 0.41 -1.34 0.00 0.00 175.55 176.75 1t8n n GLY 36 N 3.05 -1.31 0.00 8.97 0.00 0.82 -1.45 105.19 115.27 1t8n n GLY 36 Ca -0.17 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1t8n n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t8n n GLY 37 N 0.15 0.60 3.23 -0.02 0.00 -1.26 -0.66 105.19 107.24 1t8n n GLY 37 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 1t8n n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t8n n ARG 39 N 0.63 -7.40 -1.80 0.00 1.74 -1.26 -4.50 116.66 104.07 1t8n n ARG 39 Ca -0.19 0.77 -0.40 0.00 -0.77 0.00 0.00 57.85 57.27 1t8n n ARG 39 Cb 0.59 -5.66 0.02 0.00 -1.02 0.00 0.00 32.46 26.39 1t8n n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1t8n s ALA 40 N -3.30 3.26 0.75 7.54 0.00 -1.26 -4.88 121.76 123.88 1t8n s ALA 40 Ca 0.52 1.47 -0.04 0.00 0.00 0.00 0.00 51.96 53.91 1t8n s ALA 40 Cb -0.23 -3.59 0.13 0.00 0.00 0.00 0.00 23.12 19.43 1t8n s ALA 40 CO 0.68 -1.18 1.04 0.15 0.00 0.00 0.00 175.76 176.46 1t8n s LYS 41 N -2.42 1.59 0.44 0.00 1.02 -1.26 -5.00 119.74 114.10 1t8n s LYS 41 Ca 0.60 -0.87 0.25 0.00 0.02 0.00 0.00 55.97 55.96 1t8n s LYS 41 Cb -0.44 -2.23 0.87 0.00 -0.52 0.00 0.00 37.83 35.51 1t8n s LYS 41 CO 0.57 -1.56 1.80 0.00 -0.92 0.00 0.00 175.35 175.23 1t8n h ARG 42 N -0.71 0.00 -3.15 1.68 3.08 -1.95 -3.29 114.38 110.03 1t8n h ARG 42 Ca -0.39 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 58.93 1t8n h ARG 42 Cb 1.27 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.23 1t8n h ARG 42 CO 0.42 0.20 2.68 -1.71 -1.07 0.00 0.00 179.97 180.49 1t8n n ASN 43 N -3.31 6.70 -3.32 7.04 5.15 -1.26 -4.70 115.26 121.56 1t8n n ASN 43 Ca 0.01 -2.98 -0.07 0.00 -0.60 0.00 0.00 54.58 50.93 1t8n n ASN 43 Cb 0.45 -1.48 -0.07 0.00 -0.53 0.00 0.00 39.78 38.15 1t8n n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1t8n s ASN 44 N 1.25 -0.02 0.17 1.20 3.84 -1.24 -4.48 114.94 115.65 1t8n s ASN 44 Ca 0.52 0.29 0.09 0.00 0.21 0.00 0.00 52.86 53.97 1t8n s ASN 44 Cb 0.15 1.29 -0.04 0.00 -0.55 0.00 0.00 41.25 42.10 1t8n s ASN 44 CO -0.06 -0.30 -0.20 -0.36 -2.79 0.00 0.00 177.10 173.39 1t8n s PHE 45 N 2.60 1.97 -0.97 0.43 0.40 0.58 -4.92 117.98 118.07 1t8n s PHE 45 Ca 0.14 -0.43 0.26 0.00 -0.60 0.00 0.00 56.93 56.30 1t8n s PHE 45 Cb -0.15 -0.98 0.78 0.00 0.51 0.00 0.00 43.02 43.17 1t8n s PHE 45 CO -0.18 0.38 1.61 1.63 0.70 0.00 0.00 175.22 179.36 1t8n n LYS 46 N 0.33 0.03 -3.85 0.44 5.02 -1.26 -0.37 118.16 118.50 1t8n n LYS 46 Ca -0.13 0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.07 1t8n n LYS 46 Cb 0.56 -1.52 -0.08 0.00 -0.02 0.00 0.00 35.03 33.98 1t8n n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1t8n s SER 47 N -3.12 0.07 0.25 4.39 1.04 -1.26 -4.87 113.70 110.20 1t8n s SER 47 Ca 0.12 -0.48 -0.01 0.00 0.48 0.00 0.00 55.95 56.05 1t8n s SER 47 Cb 0.18 0.31 0.31 0.00 0.10 0.00 0.00 66.02 66.92 1t8n s SER 47 CO 0.64 -0.63 1.70 0.00 0.98 0.00 0.00 173.24 175.93 1t8n h ALA 48 N 3.16 1.02 -0.28 5.32 0.00 -1.97 -2.63 119.26 123.88 1t8n h ALA 48 Ca -0.33 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 1t8n h ALA 48 Cb 1.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1t8n h ALA 48 CO 0.51 0.59 0.14 1.49 0.00 0.00 0.00 179.25 181.98 1t8n h GLU 49 N 0.61 0.40 -0.57 0.00 4.81 -1.99 0.37 114.58 118.22 1t8n h GLU 49 Ca 0.10 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1t8n h GLU 49 Cb 0.62 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 1t8n h GLU 49 CO 0.04 0.37 0.35 -0.44 -0.73 0.00 0.00 179.01 178.61 1t8n h ASP 50 N 0.32 0.57 -0.42 1.04 5.19 -1.95 -0.55 116.42 120.62 1t8n h ASP 50 Ca 0.10 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.49 1t8n h ASP 50 Cb 0.10 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 1t8n h ASP 50 CO -0.01 0.40 0.21 0.00 -3.12 0.00 0.00 179.24 176.71 1t8n h LEU 52 N 0.54 0.47 -1.20 0.00 3.38 -0.62 0.85 115.31 118.73 1t8n h LEU 52 Ca 0.14 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1t8n h LEU 52 Cb 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1t8n h LEU 52 CO -0.02 0.80 -0.18 0.03 0.09 0.00 0.00 178.44 179.16 1t8n h ARG 53 N 0.38 0.00 0.02 1.13 3.08 -0.94 0.65 114.38 118.70 1t8n h ARG 53 Ca 0.04 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.72 1t8n h ARG 53 Cb 0.81 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.80 1t8n h ARG 53 CO 0.07 0.18 -2.32 2.41 -1.07 0.00 0.00 179.97 179.24 1t8n n THR 54 N -3.35 1.52 0.05 2.04 -1.04 -0.80 -4.70 114.28 108.00 1t8n n THR 54 Ca 0.00 -0.68 0.01 0.00 -2.04 0.00 0.00 64.05 61.34 1t8n n THR 54 Cb 0.40 -1.20 -0.00 0.00 -1.82 0.00 0.00 70.33 67.71 1t8n n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1t8n n GLY 56 N 0.61 0.56 2.21 0.00 0.00 0.22 -1.20 105.19 107.58 1t8n n GLY 56 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1t8n n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t8n n GLY 57 N 3.08 0.97 0.00 -0.02 0.00 -1.26 -4.96 105.19 103.00 1t8n n GLY 57 Ca 0.22 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.29 1t8n n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32