#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2waq s GLY 7 N 0.00 -0.34 0.00 0.00 0.00 -1.19 -4.23 107.32 101.57 2waq s GLY 7 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 44.72 45.02 2waq s GLY 7 CO 0.00 0.09 0.00 0.28 0.00 0.00 0.00 173.10 173.47 2waq n LYS 8 N -0.40 0.00 -3.49 2.90 5.02 -0.27 -3.17 118.16 118.75 2waq n LYS 8 Ca -0.09 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.20 2waq n LYS 8 Cb 0.61 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.64 2waq n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2waq s TRP 10 N -2.61 3.68 0.00 0.00 -0.00 -1.26 -4.50 118.94 114.25 2waq s TRP 10 Ca 0.21 0.92 0.00 0.00 -0.00 0.00 0.00 56.10 57.23 2waq s TRP 10 Cb -0.02 -2.24 0.00 0.00 -0.00 0.00 0.00 33.47 31.21 2waq s TRP 10 CO 0.03 0.60 0.00 1.63 -0.00 0.00 0.00 176.95 179.21 2waq n LYS 11 N 1.51 0.00 -2.60 5.86 4.76 -1.26 -4.58 118.16 121.85 2waq n LYS 11 Ca -0.12 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.89 2waq n LYS 11 Cb 0.52 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.71 2waq n LYS 11 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2waq s THR 12 N 0.00 4.17 -0.74 -0.18 -4.23 -1.26 -4.93 115.64 108.47 2waq s THR 12 Ca 0.00 -1.96 -0.26 0.00 -1.18 0.00 0.00 61.69 58.29 2waq s THR 12 Cb 0.00 -5.18 -0.12 0.00 1.34 0.00 0.00 72.50 68.53 2waq s THR 12 CO 0.00 -2.01 2.40 -0.36 -0.54 0.00 0.00 174.62 174.11 2waq s PHE 13 N 4.09 1.14 -0.20 3.99 0.40 -1.26 -4.28 117.98 121.86 2waq s PHE 13 Ca 0.53 1.89 0.01 0.00 -0.60 0.00 0.00 56.93 58.76 2waq s PHE 13 Cb 0.04 -3.48 0.04 0.00 0.51 0.00 0.00 43.02 40.13 2waq s PHE 13 CO 0.08 -1.73 -0.13 0.99 0.70 0.00 0.00 175.22 175.12 2waq s THR 14 N 14.25 1.81 0.01 0.64 2.01 -1.26 -4.94 115.64 128.17 2waq s THR 14 Ca 0.93 -1.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.57 2waq s THR 14 Cb -0.13 -1.81 -0.06 0.00 0.01 0.00 0.00 72.50 70.51 2waq s THR 14 CO 0.11 0.25 1.44 -1.81 -0.69 0.00 0.00 174.62 173.92 2waq s ASP 15 N 1.34 6.81 0.07 3.53 -0.00 -1.25 -3.83 116.67 123.34 2waq s ASP 15 Ca -0.00 2.17 0.05 0.00 -0.00 0.00 0.00 52.55 54.77 2waq s ASP 15 Cb -0.16 -2.56 -0.03 0.00 -0.00 0.00 0.00 42.92 40.17 2waq s ASP 15 CO -0.09 -0.75 -0.15 -1.83 -0.00 0.00 0.00 175.17 172.35 2waq s GLU 16 N 2.47 0.88 0.80 8.23 -1.05 -1.19 -4.96 118.70 123.88 2waq s GLU 16 Ca 0.65 -0.94 -0.11 0.00 -0.15 0.00 0.00 54.97 54.42 2waq s GLU 16 Cb -0.33 -0.92 0.07 0.00 -0.44 0.00 0.00 34.13 32.51 2waq s GLU 16 CO 0.27 0.21 1.09 -1.14 0.95 0.00 0.00 175.26 176.65 2waq s GLN 17 N -1.64 2.08 0.31 -4.83 2.00 -1.26 -1.89 119.66 114.42 2waq s GLN 17 Ca -0.00 1.10 0.18 0.00 -2.00 0.00 0.00 55.36 54.64 2waq s GLN 17 Cb -0.10 -1.88 0.99 0.00 0.80 0.00 0.00 33.01 32.82 2waq s GLN 17 CO 0.02 -1.75 1.52 1.28 -0.50 0.00 0.00 175.29 175.86 2waq n LEU 18 N -3.59 0.47 -4.56 3.68 4.77 -1.26 -4.57 117.00 111.94 2waq n LEU 18 Ca 0.09 0.68 -0.39 0.00 -0.03 0.00 0.00 56.01 56.36 2waq n LEU 18 Cb 0.53 -0.71 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 2waq n LEU 18 CO 0.54 -0.85 1.59 -0.54 -1.33 0.00 0.00 177.39 176.81 2waq s LYS 19 N -3.45 2.71 -0.07 3.23 -0.14 -1.26 -4.98 119.74 115.79 2waq s LYS 19 Ca -0.02 0.69 0.04 0.00 -1.36 0.00 0.00 55.97 55.32 2waq s LYS 19 Cb 0.05 -4.36 -0.02 0.00 -1.68 0.00 0.00 37.83 31.82 2waq s LYS 19 CO 0.17 -2.63 -0.19 0.14 -0.76 0.00 0.00 175.35 172.07 2waq s VAL 20 N 8.80 2.57 -0.29 3.17 -7.23 -1.26 -5.06 120.40 121.10 2waq s VAL 20 Ca 0.68 -0.88 -0.14 0.00 -1.81 0.00 0.00 61.98 59.83 2waq s VAL 20 Cb -0.14 -1.99 0.11 0.00 0.56 0.00 0.00 36.38 34.93 2waq s VAL 20 CO 0.22 0.57 0.76 -0.22 -0.31 0.00 0.00 175.10 176.12 2waq s LEU 21 N -0.28 -0.89 0.08 1.32 1.98 -1.26 -4.81 118.68 114.83 2waq s LEU 21 Ca 0.01 1.35 0.21 0.00 -2.89 0.00 0.00 54.13 52.81 2waq s LEU 21 Cb -0.13 2.19 -0.15 0.00 0.66 0.00 0.00 46.19 48.76 2waq s LEU 21 CO 0.03 -0.20 0.77 -0.81 -1.89 0.00 0.00 176.35 174.24 2waq n PRO 22 N 4.53 0.63 -0.05 0.98 -0.04 -1.26 -5.05 135.00 134.74 2waq n PRO 22 Ca -0.17 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2waq n PRO 22 Cb 0.56 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 2waq n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2waq n GLY 23 N 1.26 5.73 3.01 0.55 0.00 -1.26 -5.06 105.19 109.43 2waq n GLY 23 Ca -0.04 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 2waq n GLY 23 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2waq n VAL 24 N -0.01 4.61 -4.13 1.61 3.14 -1.26 -4.89 118.33 117.40 2waq n VAL 24 Ca 0.00 -5.66 -0.09 0.00 -2.96 0.00 0.00 64.34 55.63 2waq n VAL 24 Cb 0.00 -2.21 -0.10 0.00 -1.06 0.00 0.00 33.84 30.47 2waq n VAL 24 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2waq s ARG 25 N -2.32 0.77 0.14 1.45 0.52 -1.26 -4.77 118.95 113.47 2waq s ARG 25 Ca 0.32 -1.32 -0.30 0.00 -0.52 0.00 0.00 55.73 53.91 2waq s ARG 25 Cb 0.02 0.09 -0.07 0.00 0.52 0.00 0.00 34.95 35.51 2waq s ARG 25 CO 0.03 -0.13 1.16 0.00 0.02 0.00 0.00 175.30 176.39 2waq s PRO 27 N 0.19 4.24 -1.07 0.00 0.02 -1.26 -2.98 135.00 134.14 2waq s PRO 27 Ca 0.54 2.21 -0.15 0.00 0.02 0.00 0.00 61.00 63.62 2waq s PRO 27 Cb -0.30 -3.43 -0.02 0.00 0.02 0.00 0.00 34.50 30.76 2waq s PRO 27 CO 0.33 -0.62 0.81 0.98 -0.33 0.00 0.00 177.00 178.18 2waq n TYR 28 N 4.90 -2.15 0.11 6.54 9.36 -1.26 -4.91 117.16 129.74 2waq n TYR 28 Ca 0.14 0.63 0.00 0.00 3.32 0.00 0.00 57.90 61.99 2waq n TYR 28 Cb 0.41 -3.64 0.00 0.00 -0.63 0.00 0.00 39.34 35.49 2waq n TYR 28 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2waq n GLY 30 N 0.33 0.05 3.03 0.00 0.00 -1.24 -5.04 105.19 102.32 2waq n GLY 30 Ca 0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 2waq n GLY 30 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2waq s TYR 31 N -3.19 0.52 -0.03 1.61 5.04 -1.26 -5.02 117.35 115.01 2waq s TYR 31 Ca 0.33 -0.52 0.10 0.00 -2.44 0.00 0.00 57.07 54.54 2waq s TYR 31 Cb -0.15 -0.32 -0.15 0.00 0.35 0.00 0.00 41.96 41.70 2waq s TYR 31 CO 0.43 -0.13 0.17 1.63 -1.34 0.00 0.00 175.55 176.32 2waq n LYS 32 N 1.49 0.82 -2.45 4.97 5.02 -1.26 -1.96 118.16 124.79 2waq n LYS 32 Ca -0.23 -0.07 -0.43 0.00 -2.02 0.00 0.00 58.31 55.56 2waq n LYS 32 Cb 0.55 -1.24 -0.02 0.00 -0.02 0.00 0.00 35.03 34.30 2waq n LYS 32 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2waq s ILE 33 N -2.58 4.16 -0.10 -0.18 1.09 -1.26 -4.88 121.20 117.44 2waq s ILE 33 Ca -0.04 1.29 0.00 0.00 -1.10 0.00 0.00 60.65 60.81 2waq s ILE 33 Cb 0.06 -4.22 0.02 0.00 -1.06 0.00 0.00 42.46 37.25 2waq s ILE 33 CO 0.41 -0.55 -0.09 -0.51 -0.10 0.00 0.00 174.94 174.09 2waq s ILE 34 N 4.42 1.10 -0.01 2.92 2.07 -1.26 -4.20 121.20 126.23 2waq s ILE 34 Ca 0.55 -0.37 -0.14 0.00 -1.41 0.00 0.00 60.65 59.28 2waq s ILE 34 Cb -0.15 -1.07 -0.06 0.00 0.13 0.00 0.00 42.46 41.31 2waq s ILE 34 CO 0.24 0.37 0.39 -0.36 -1.91 0.00 0.00 174.94 173.67 2waq s PHE 35 N 1.37 3.72 0.24 3.50 0.40 -1.26 -4.86 117.98 121.10 2waq s PHE 35 Ca -0.01 0.96 -0.30 0.00 -0.60 0.00 0.00 56.93 56.99 2waq s PHE 35 Cb -0.14 -2.27 -0.09 0.00 0.51 0.00 0.00 43.02 41.04 2waq s PHE 35 CO -0.05 0.65 1.03 1.41 0.70 0.00 0.00 175.22 178.96 2waq s MET 36 N -1.06 4.73 0.34 0.44 1.75 -1.26 -1.12 119.30 123.12 2waq s MET 36 Ca 0.23 1.65 -0.06 0.00 -1.25 0.00 0.00 55.69 56.26 2waq s MET 36 Cb -0.16 -3.25 -0.05 0.00 2.84 0.00 0.00 34.83 34.21 2waq s MET 36 CO 0.13 0.32 0.63 0.54 -0.65 0.00 0.00 175.02 175.98 2waq s VAL 37 N -1.00 4.97 0.47 10.11 0.11 -1.26 -4.89 120.40 128.91 2waq s VAL 37 Ca 0.44 0.15 -0.24 0.00 -2.93 0.00 0.00 61.98 59.39 2waq s VAL 37 Cb -0.29 -3.76 -0.08 0.00 -1.53 0.00 0.00 36.38 30.72 2waq s VAL 37 CO 0.36 -0.44 1.31 -1.14 -3.33 0.00 0.00 175.10 171.85 2waq n ARG 38 N -1.24 1.88 -2.01 1.54 0.63 -1.26 -4.87 116.66 111.33 2waq n ARG 38 Ca -0.01 0.67 -0.42 0.00 -0.92 0.00 0.00 57.85 57.17 2waq n ARG 38 Cb 0.54 -2.47 -0.03 0.00 0.45 0.00 0.00 32.46 30.96 2waq n ARG 38 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2waq s LYS 39 N -2.46 4.14 0.00 -0.14 2.20 -1.26 -4.89 119.74 117.34 2waq s LYS 39 Ca 0.64 2.15 0.06 0.00 -0.36 0.00 0.00 55.97 58.46 2waq s LYS 39 Cb -0.47 -3.99 0.33 0.00 -1.51 0.00 0.00 37.83 32.19 2waq s LYS 39 CO 0.55 -0.89 0.74 -0.35 -0.36 0.00 0.00 175.35 175.04 2waq n PRO 40 N 7.19 0.40 -2.36 4.03 -0.04 -1.26 -4.83 135.00 138.12 2waq n PRO 40 Ca 0.17 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.28 2waq n PRO 40 Cb 0.43 -1.22 -0.02 0.00 -0.04 0.00 0.00 33.50 32.66 2waq n PRO 40 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2waq s THR 41 N -2.00 3.36 -0.73 0.52 2.01 -1.26 -4.94 115.64 112.60 2waq s THR 41 Ca 0.08 0.94 -0.26 0.00 0.31 0.00 0.00 61.69 62.77 2waq s THR 41 Cb 0.04 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 2waq s THR 41 CO 0.06 -0.09 1.87 -0.51 -0.69 0.00 0.00 174.62 175.26 2waq s ILE 42 N -1.71 3.41 -0.16 1.82 2.07 -1.26 -4.96 121.20 120.41 2waq s ILE 42 Ca 0.66 -0.03 -0.27 0.00 -1.41 0.00 0.00 60.65 59.60 2waq s ILE 42 Cb -0.24 -4.02 -0.01 0.00 0.13 0.00 0.00 42.46 38.32 2waq s ILE 42 CO 0.28 -0.98 0.92 -0.54 -1.91 0.00 0.00 174.94 172.71 2waq s LYS 43 N 6.94 4.33 -0.29 3.50 -0.14 -1.26 -5.02 119.74 127.80 2waq s LYS 43 Ca 0.67 1.19 -0.17 0.00 -1.36 0.00 0.00 55.97 56.29 2waq s LYS 43 Cb -0.10 -3.57 -0.02 0.00 -1.68 0.00 0.00 37.83 32.45 2waq s LYS 43 CO 0.12 -0.37 0.47 0.42 -0.76 0.00 0.00 175.35 175.23 2waq s ILE 44 N 2.25 5.09 -0.08 2.17 1.09 -1.26 -5.06 121.20 125.40 2waq s ILE 44 Ca 0.42 0.63 0.03 0.00 -1.10 0.00 0.00 60.65 60.63 2waq s ILE 44 Cb -0.17 -3.83 -0.02 0.00 -1.06 0.00 0.00 42.46 37.39 2waq s ILE 44 CO 0.13 0.02 -0.17 -0.69 -0.10 0.00 0.00 174.94 174.13 2waq s VAL 45 N 2.26 2.75 -0.15 2.92 1.01 -1.26 -5.11 120.40 122.82 2waq s VAL 45 Ca 0.18 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 61.14 2waq s VAL 45 Cb -0.16 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 2waq s VAL 45 CO 0.11 0.56 0.65 -0.54 0.00 0.00 0.00 175.10 175.88 2waq s LYS 46 N -0.19 4.30 -1.39 2.72 1.02 -1.26 -4.99 119.74 119.95 2waq s LYS 46 Ca -0.01 0.72 -0.10 0.00 0.02 0.00 0.00 55.97 56.60 2waq s LYS 46 Cb -0.13 -3.52 0.09 0.00 -0.52 0.00 0.00 37.83 33.74 2waq s LYS 46 CO 0.03 -0.11 2.21 0.00 -0.92 0.00 0.00 175.35 176.56 2waq n ALA 47 N 4.53 5.95 0.55 5.17 0.00 -1.26 -5.36 120.51 130.08 2waq n ALA 47 Ca -0.01 -4.04 0.07 0.00 0.00 0.00 0.00 53.44 49.45 2waq n ALA 47 Cb 0.50 -3.17 0.05 0.00 0.00 0.00 0.00 19.45 16.84 2waq n ALA 47 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61