#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c9t s THR 8 N 0.00 0.00 0.16 12.58 -4.23 0.01 -4.95 115.64 119.21 1c9t s THR 8 Ca 0.00 0.00 -0.32 0.00 -1.18 0.00 0.00 61.69 60.19 1c9t s THR 8 Cb 0.00 -1.00 -0.10 0.00 1.34 0.00 0.00 72.50 72.74 1c9t s THR 8 CO 0.00 0.00 1.56 -2.16 -0.54 0.00 0.00 174.62 173.48 1c9t s PRO 9 N -0.61 4.22 -0.18 3.99 0.04 -1.26 0.77 135.00 141.97 1c9t s PRO 9 Ca 0.08 2.35 -0.05 0.00 0.04 0.00 0.00 61.00 63.43 1c9t s PRO 9 Cb -0.03 -3.16 0.06 0.00 0.04 0.00 0.00 34.50 31.42 1c9t s PRO 9 CO -0.11 -0.60 0.09 0.00 0.04 0.00 0.00 177.00 176.42 1c9t n GLY 11 N 5.25 2.98 0.01 0.00 0.00 -1.25 0.04 105.19 112.22 1c9t n GLY 11 Ca -0.07 0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.18 1c9t n GLY 11 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1c9t n PRO 12 N 14.00 0.77 -3.65 1.61 -0.04 -1.26 -4.85 135.00 141.58 1c9t n PRO 12 Ca 0.00 -0.02 -0.18 0.00 -0.04 0.00 0.00 63.50 63.26 1c9t n PRO 12 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1c9t n PRO 12 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1c9t n VAL 13 N -1.09 0.00 -3.68 0.52 0.24 0.11 -5.16 118.33 109.26 1c9t n VAL 13 Ca 0.20 -1.58 -0.20 0.00 -2.04 0.00 0.00 64.34 60.72 1c9t n VAL 13 Cb 0.17 0.49 -0.18 0.00 -1.47 0.00 0.00 33.84 32.85 1c9t n VAL 13 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1c9t s THR 14 N -2.45 -0.08 0.18 3.34 -4.23 -1.26 -0.52 115.64 110.63 1c9t s THR 14 Ca 0.09 0.40 -0.31 0.00 -1.18 0.00 0.00 61.69 60.70 1c9t s THR 14 Cb 0.00 -0.17 -0.10 0.00 1.34 0.00 0.00 72.50 73.58 1c9t s THR 14 CO 0.07 0.18 1.47 0.00 -0.54 0.00 0.00 174.62 175.80 1c9t s SER 16 N 0.83 4.98 0.00 0.00 0.01 -1.26 -0.81 113.70 117.45 1c9t s SER 16 Ca 0.65 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1c9t s SER 16 Cb -0.41 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 65.04 1c9t s SER 16 CO 0.35 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 174.21 1c9t n GLY 17 N -1.32 0.34 1.08 3.44 0.00 -1.26 -0.98 105.19 106.49 1c9t n GLY 17 Ca -0.01 0.19 0.04 0.00 0.00 0.00 0.00 46.02 46.23 1c9t n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c9t n ALA 18 N 1.96 3.04 -2.62 4.61 0.00 -1.26 -1.62 120.51 124.62 1c9t n ALA 18 Ca 0.00 -0.87 -0.34 0.00 0.00 0.00 0.00 53.44 52.23 1c9t n ALA 18 Cb 0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.35 1c9t n ALA 18 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1c9t s GLN 19 N -1.79 3.70 -0.08 0.00 -0.21 -0.15 -4.44 119.66 116.69 1c9t s GLN 19 Ca 0.26 0.07 0.01 0.00 0.02 0.00 0.00 55.36 55.72 1c9t s GLN 19 Cb 0.19 -2.95 -0.03 0.00 1.00 0.00 0.00 33.01 31.22 1c9t s GLN 19 CO 0.09 0.53 -0.10 -1.64 -2.12 0.00 0.00 175.29 172.05 1c9t s MET 20 N -2.16 2.81 -0.05 2.91 -1.94 0.12 -2.67 119.30 118.33 1c9t s MET 20 Ca 0.35 -0.62 -0.27 0.00 -1.71 0.00 0.00 55.69 53.45 1c9t s MET 20 Cb -0.13 -2.54 -0.03 0.00 2.01 0.00 0.00 34.83 34.14 1c9t s MET 20 CO 0.20 0.56 0.84 0.00 -0.01 0.00 0.00 175.02 176.61 1c9t s GLU 22 N 1.06 2.42 0.00 0.00 -6.30 0.25 -4.95 118.70 111.20 1c9t s GLU 22 Ca 0.44 -2.54 0.00 0.00 -2.50 0.00 0.00 54.97 50.37 1c9t s GLU 22 Cb -0.19 -3.64 0.00 0.00 0.00 0.00 0.00 34.13 30.30 1c9t s GLU 22 CO 0.22 -1.16 0.00 0.28 0.02 0.00 0.00 175.26 174.62 1c9t n VAL 23 N 3.43 0.00 -0.63 3.70 0.31 -1.26 -0.78 118.33 123.09 1c9t n VAL 23 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1c9t n VAL 23 Cb 0.37 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 1c9t n VAL 23 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1c9t n ASP 24 N 0.70 0.48 -4.30 4.52 5.68 -1.26 -3.88 116.55 118.48 1c9t n ASP 24 Ca 0.00 -1.11 -0.27 0.00 -0.50 0.00 0.00 54.79 52.91 1c9t n ASP 24 Cb 0.00 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 39.84 1c9t n ASP 24 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1c9t s LYS 25 N -0.11 1.48 -0.24 0.11 1.02 0.04 -4.34 119.74 117.70 1c9t s LYS 25 Ca 0.00 -1.08 -0.09 0.00 0.02 0.00 0.00 55.97 54.82 1c9t s LYS 25 Cb 0.00 -1.69 -0.04 0.00 -0.52 0.00 0.00 37.83 35.58 1c9t s LYS 25 CO 0.00 0.42 0.11 0.00 -0.92 0.00 0.00 175.35 174.97 1c9t s VAL 27 N 1.30 1.53 0.44 0.00 -7.23 0.52 -4.91 120.40 112.06 1c9t s VAL 27 Ca 0.06 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 58.18 1c9t s VAL 27 Cb -0.15 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 1c9t s VAL 27 CO 0.05 -0.03 0.73 0.00 -0.31 0.00 0.00 175.10 175.54 1c9t s SER 29 N -4.03 3.39 0.00 0.00 1.04 -1.26 -4.86 113.70 107.99 1c9t s SER 29 Ca 0.46 -1.08 0.22 0.00 0.48 0.00 0.00 55.95 56.03 1c9t s SER 29 Cb -0.10 -0.27 -0.07 0.00 0.10 0.00 0.00 66.02 65.68 1c9t s SER 29 CO 0.42 -0.08 1.02 0.47 0.98 0.00 0.00 173.24 176.05 1c9t n ASP 30 N -0.62 1.33 -4.70 7.02 8.00 -1.26 -4.74 116.55 121.58 1c9t n ASP 30 Ca -0.05 -1.13 -0.42 0.00 0.71 0.00 0.00 54.79 53.89 1c9t n ASP 30 Cb 0.61 0.74 -0.03 0.00 -0.02 0.00 0.00 41.12 42.42 1c9t n ASP 30 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1c9t s LEU 31 N -2.80 4.37 0.03 0.64 0.20 -1.26 -4.98 118.68 114.89 1c9t s LEU 31 Ca 0.12 2.61 -0.18 0.00 0.69 0.00 0.00 54.13 57.38 1c9t s LEU 31 Cb 0.17 -3.57 0.03 0.00 -0.43 0.00 0.00 46.19 42.39 1c9t s LEU 31 CO 0.74 -0.91 0.40 -1.00 -0.29 0.00 0.00 176.35 175.30 1c9t s HIS 32 N 2.17 -0.26 0.70 5.38 3.76 -1.26 -4.37 115.29 121.41 1c9t s HIS 32 Ca 0.75 0.26 -0.10 0.00 -0.15 0.00 0.00 55.06 55.81 1c9t s HIS 32 Cb -0.43 0.20 0.03 0.00 1.11 0.00 0.00 32.58 33.49 1c9t s HIS 32 CO 0.33 -0.54 1.06 0.00 -0.85 0.00 0.00 174.74 174.74 1c9t n LYS 34 N -2.97 2.62 -2.05 0.00 5.02 -1.26 -4.96 118.16 114.56 1c9t n LYS 34 Ca 0.07 -3.13 -0.22 0.00 -2.02 0.00 0.00 58.31 53.01 1c9t n LYS 34 Cb 0.58 -2.22 0.13 0.00 -0.02 0.00 0.00 35.03 33.51 1c9t n LYS 34 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1c9t n VAL 35 N -0.18 0.00 -3.93 -0.18 0.24 -1.26 -5.07 118.33 107.95 1c9t n VAL 35 Ca 0.53 -1.16 -0.31 0.00 -2.04 0.00 0.00 64.34 61.36 1c9t n VAL 35 Cb 0.36 -1.19 -0.15 0.00 -1.47 0.00 0.00 33.84 31.40 1c9t n VAL 35 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1c9t s LYS 36 N -5.01 1.28 0.05 7.34 2.20 -1.26 -5.09 119.74 119.25 1c9t s LYS 36 Ca 0.60 -1.68 -0.30 0.00 -0.36 0.00 0.00 55.97 54.22 1c9t s LYS 36 Cb -0.03 -2.85 -0.05 0.00 -1.51 0.00 0.00 37.83 33.40 1c9t s LYS 36 CO 0.41 -0.96 1.06 0.00 -0.36 0.00 0.00 175.35 175.49 1c9t h GLU 38 N 6.53 0.05 -0.48 0.00 4.81 -1.98 -2.79 114.58 120.71 1c9t h GLU 38 Ca -0.42 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1c9t h GLU 38 Cb 1.22 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1c9t h GLU 38 CO 0.76 0.04 0.00 0.72 -0.73 0.00 0.00 179.01 179.80 1c9t n HIS 39 N -5.18 1.40 0.00 0.92 8.25 -1.26 -5.07 115.22 114.27 1c9t n HIS 39 Ca -0.01 -0.71 0.00 0.00 -0.26 0.00 0.00 57.72 56.74 1c9t n HIS 39 Cb 0.15 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 30.94 1c9t n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1c9t n GLY 40 N 0.44 -0.54 3.77 -1.41 0.00 -1.06 -4.69 105.19 101.70 1c9t n GLY 40 Ca 0.24 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 1c9t n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c9t s PHE 41 N -1.71 3.44 0.27 1.61 0.40 -1.26 -0.37 117.98 120.36 1c9t s PHE 41 Ca 0.00 1.68 -0.30 0.00 -0.60 0.00 0.00 56.93 57.71 1c9t s PHE 41 Cb 0.00 -3.22 -0.11 0.00 0.51 0.00 0.00 43.02 40.20 1c9t s PHE 41 CO 0.00 -0.59 1.58 0.21 0.70 0.00 0.00 175.22 177.12 1c9t s LYS 42 N -1.89 4.15 -0.08 0.44 2.20 0.20 -4.42 119.74 120.35 1c9t s LYS 42 Ca 0.50 2.53 0.00 0.00 -0.36 0.00 0.00 55.97 58.64 1c9t s LYS 42 Cb -0.28 -3.05 -0.03 0.00 -1.51 0.00 0.00 37.83 32.96 1c9t s LYS 42 CO 0.35 -0.61 -0.05 0.15 -0.36 0.00 0.00 175.35 174.83 1c9t s LYS 43 N -0.26 2.84 0.77 4.03 1.02 -1.26 0.53 119.74 127.40 1c9t s LYS 43 Ca 0.64 -0.52 -0.08 0.00 0.02 0.00 0.00 55.97 56.03 1c9t s LYS 43 Cb -0.47 -2.64 0.10 0.00 -0.52 0.00 0.00 37.83 34.29 1c9t s LYS 43 CO 0.45 0.65 1.09 0.16 -0.92 0.00 0.00 175.35 176.78 1c9t s ASP 44 N -0.76 4.41 0.67 2.83 3.84 0.22 -4.91 116.67 122.97 1c9t s ASP 44 Ca 0.12 0.37 0.37 0.00 -0.00 0.00 0.00 52.55 53.41 1c9t s ASP 44 Cb -0.11 -0.86 2.01 0.00 -1.38 0.00 0.00 42.92 42.58 1c9t s ASP 44 CO 0.02 -1.87 2.14 0.44 -0.00 0.00 0.00 175.17 175.89 1c9t h ASP 45 N -0.84 0.00 0.62 2.11 5.19 -1.99 0.13 116.42 121.64 1c9t h ASP 45 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1c9t h ASP 45 Cb 1.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1c9t h ASP 45 CO 0.55 0.00 -0.44 0.59 -3.12 0.00 0.00 179.24 176.82 1c9t n ASN 46 N -3.01 0.45 0.00 6.45 4.13 -1.26 -4.95 115.26 117.07 1c9t n ASN 46 Ca -0.02 -0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.15 1c9t n ASN 46 Cb 0.24 0.12 0.00 0.00 -1.54 0.00 0.00 39.78 38.60 1c9t n ASN 46 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1c9t n GLY 47 N 1.48 1.39 3.80 7.41 0.00 0.45 -5.07 105.19 114.64 1c9t n GLY 47 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1c9t n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c9t s GLU 49 N -4.24 3.30 0.27 0.00 2.02 -1.26 -0.61 118.70 118.18 1c9t s GLU 49 Ca 0.64 -0.24 -0.29 0.00 0.02 0.00 0.00 54.97 55.09 1c9t s GLU 49 Cb -0.17 -3.06 -0.09 0.00 0.10 0.00 0.00 34.13 30.91 1c9t s GLU 49 CO 0.41 0.74 1.19 0.71 0.02 0.00 0.00 175.26 178.34 1c9t s TYR 50 N -1.04 3.37 0.18 1.61 1.51 0.19 -4.78 117.35 118.38 1c9t s TYR 50 Ca 0.16 1.53 -0.19 0.00 -1.01 0.00 0.00 57.07 57.56 1c9t s TYR 50 Cb -0.12 -3.45 0.11 0.00 -0.11 0.00 0.00 41.96 38.39 1c9t s TYR 50 CO 0.06 -1.16 1.62 0.00 -1.11 0.00 0.00 175.55 174.96 1c9t h ALA 51 N 4.09 0.05 -1.38 3.71 0.00 -1.90 -3.30 119.26 120.53 1c9t h ALA 51 Ca -0.47 0.15 -0.45 0.00 0.00 0.00 0.00 54.91 54.14 1c9t h ALA 51 Cb 1.22 0.57 -0.41 0.00 0.00 0.00 0.00 17.79 19.17 1c9t h ALA 51 CO 0.69 -0.60 -1.05 0.00 0.00 0.00 0.00 179.25 178.29 1c9t s ILE 53 N -3.67 0.05 0.11 0.00 1.01 -1.24 -5.03 121.20 112.43 1c9t s ILE 53 Ca 0.36 0.18 -0.08 0.00 0.00 0.00 0.00 60.65 61.11 1c9t s ILE 53 Cb 0.41 -0.18 -0.06 0.00 0.01 0.00 0.00 42.46 42.65 1c9t s ILE 53 CO -0.05 0.13 0.40 0.00 0.00 0.00 0.00 174.94 175.42 1c9t s ALA 55 N -1.53 3.43 -0.76 0.00 0.00 0.50 -4.38 121.76 119.02 1c9t s ALA 55 Ca 0.37 0.97 0.26 0.00 0.00 0.00 0.00 51.96 53.56 1c9t s ALA 55 Cb -0.13 -3.39 0.91 0.00 0.00 0.00 0.00 23.12 20.52 1c9t s ALA 55 CO 0.21 -0.32 1.78 -0.25 0.00 0.00 0.00 175.76 177.18 1c9t n ASP 56 N 1.71 0.60 -3.58 0.00 8.00 -1.26 -4.34 116.55 117.67 1c9t n ASP 56 Ca 0.01 0.57 -0.12 0.00 0.71 0.00 0.00 54.79 55.97 1c9t n ASP 56 Cb 0.44 -0.73 -0.04 0.00 -0.02 0.00 0.00 41.12 40.77 1c9t n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c9t s ALA 57 N -3.11 -1.17 0.41 2.24 0.00 -1.26 -5.02 121.76 113.85 1c9t s ALA 57 Ca 0.10 0.27 -0.26 0.00 0.00 0.00 0.00 51.96 52.08 1c9t s ALA 57 Cb 0.13 0.60 -0.08 0.00 0.00 0.00 0.00 23.12 23.77 1c9t s ALA 57 CO 0.54 -0.61 1.29 -2.14 0.00 0.00 0.00 175.76 174.84 1c9t s PRO 58 N -3.27 3.92 0.00 0.00 0.02 -1.26 -4.93 135.00 129.49 1c9t s PRO 58 Ca -0.01 2.11 0.31 0.00 0.02 0.00 0.00 61.00 63.44 1c9t s PRO 58 Cb 0.00 -2.71 1.78 0.00 0.02 0.00 0.00 34.50 33.60 1c9t s PRO 58 CO -0.08 -0.52 2.16 0.00 -0.33 0.00 0.00 177.00 178.23