#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrr s ILE 5 N 0.00 1.83 0.04 -0.61 -0.00 -1.26 -5.11 121.20 116.10 2wrr s ILE 5 Ca 0.00 -3.19 0.01 0.00 -0.00 0.00 0.00 60.65 57.47 2wrr s ILE 5 Cb 0.00 -2.25 -0.00 0.00 -0.00 0.00 0.00 42.46 40.21 2wrr s ILE 5 CO 0.00 -0.97 0.04 1.41 -0.00 0.00 0.00 174.94 175.42 2wrr n HIS 6 N 2.90 -0.20 0.91 1.37 -0.00 -1.26 -5.03 115.22 113.92 2wrr n HIS 6 Ca 0.15 -0.31 0.09 0.00 -0.00 0.00 0.00 57.72 57.65 2wrr n HIS 6 Cb 0.36 0.04 -0.08 0.00 -0.00 0.00 0.00 29.99 30.31 2wrr n HIS 6 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2wrr n PRO 7 N -0.07 0.78 0.00 -0.41 -0.02 -1.26 -5.05 135.00 128.98 2wrr n PRO 7 Ca 0.01 -0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 2wrr n PRO 7 Cb 0.07 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 2wrr n PRO 7 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2wrr n LYS 8 N -1.11 0.00 0.00 -0.52 4.81 -1.26 -4.91 118.16 115.17 2wrr n LYS 8 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 2wrr n LYS 8 Cb 0.33 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.38 2wrr n LYS 8 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2wrr n LEU 9 N 0.00 0.00 0.00 3.14 -0.00 -1.26 -5.05 117.00 113.83 2wrr n LEU 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2wrr n LEU 9 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2wrr n LEU 9 CO 0.00 0.00 0.00 0.55 -0.00 0.00 0.00 177.39 177.94 2wrr n VAL 10 N 0.66 0.00 -2.61 1.96 3.14 -1.14 -4.89 118.33 115.44 2wrr n VAL 10 Ca 0.00 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.00 2wrr n VAL 10 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.73 2wrr n VAL 10 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2wrr s PRO 11 N -2.00 4.53 0.05 1.45 0.04 -1.26 -0.98 135.00 136.83 2wrr s PRO 11 Ca 0.00 1.56 -0.01 0.00 0.04 0.00 0.00 61.00 62.58 2wrr s PRO 11 Cb 0.00 -2.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 2wrr s PRO 11 CO 0.00 0.18 -0.02 0.00 0.04 0.00 0.00 177.00 177.20 2wrr s ALA 12 N -1.41 0.46 -0.60 8.56 0.00 0.32 -4.63 121.76 124.46 2wrr s ALA 12 Ca 0.49 -1.16 0.04 0.00 0.00 0.00 0.00 51.96 51.33 2wrr s ALA 12 Cb -0.25 0.27 0.15 0.00 0.00 0.00 0.00 23.12 23.30 2wrr s ALA 12 CO 0.32 -0.37 0.39 -0.98 0.00 0.00 0.00 175.76 175.12 2wrr s ARG 13 N -3.80 2.10 0.30 0.00 1.70 -1.21 -1.63 118.95 116.41 2wrr s ARG 13 Ca 0.06 -2.91 -0.30 0.00 -0.47 0.00 0.00 55.73 52.11 2wrr s ARG 13 Cb 0.07 -3.15 -0.12 0.00 -0.57 0.00 0.00 34.95 31.18 2wrr s ARG 13 CO -0.10 -1.23 1.50 -0.89 -1.08 0.00 0.00 175.30 173.51 2wrr n ILE 14 N 2.53 1.30 -3.68 4.99 -0.00 -0.37 -4.64 119.36 119.50 2wrr n ILE 14 Ca 0.15 -0.32 -0.38 0.00 -0.00 0.00 0.00 62.75 62.20 2wrr n ILE 14 Cb 0.35 -1.82 -0.09 0.00 -0.00 0.00 0.00 39.64 38.08 2wrr n ILE 14 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 2wrr s ILE 15 N -0.34 3.89 1.18 1.39 -1.09 -0.78 -3.28 121.20 122.17 2wrr s ILE 15 Ca 0.62 -2.75 -0.15 0.00 -2.23 0.00 0.00 60.65 56.14 2wrr s ILE 15 Cb -0.53 -3.53 0.24 0.00 -1.58 0.00 0.00 42.46 37.06 2wrr s ILE 15 CO 0.53 -0.87 0.65 0.00 -1.23 0.00 0.00 174.94 174.02 2wrr n GLY 17 N 1.44 0.59 0.42 0.00 0.00 -1.15 -4.24 105.19 102.26 2wrr n GLY 17 Ca 0.02 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 2wrr n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrr n GLY 19 N 2.13 -2.11 0.00 0.00 0.00 -1.26 -5.13 105.19 98.82 2wrr n GLY 19 Ca -0.31 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2wrr n GLY 19 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wrr n ASN 20 N 0.00 0.00 -3.98 1.61 4.05 -1.26 -4.08 115.26 111.60 2wrr n ASN 20 Ca 0.00 0.00 -0.31 0.00 0.45 0.00 0.00 54.58 54.72 2wrr n ASN 20 Cb 0.00 0.00 -0.12 0.00 1.23 0.00 0.00 39.78 40.89 2wrr n ASN 20 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2wrr s VAL 21 N 0.00 3.08 0.34 3.44 1.01 -1.26 -2.91 120.40 124.10 2wrr s VAL 21 Ca 0.00 -3.65 -0.28 0.00 0.00 0.00 0.00 61.98 58.06 2wrr s VAL 21 Cb 0.00 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.25 2wrr s VAL 21 CO 0.00 -0.91 1.20 -0.63 0.00 0.00 0.00 175.10 174.76 2wrr s ILE 22 N -0.77 3.09 -0.40 2.22 1.09 -1.21 -4.83 121.20 120.39 2wrr s ILE 22 Ca 0.21 1.02 0.02 0.00 -1.10 0.00 0.00 60.65 60.80 2wrr s ILE 22 Cb -0.16 -3.62 0.12 0.00 -1.06 0.00 0.00 42.46 37.74 2wrr s ILE 22 CO -0.07 0.19 0.18 -0.70 -0.10 0.00 0.00 174.94 174.44 2wrr s GLU 23 N -1.89 1.26 0.00 2.79 2.12 -1.26 -1.23 118.70 120.48 2wrr s GLU 23 Ca 0.51 -1.83 0.00 0.00 0.36 0.00 0.00 54.97 54.00 2wrr s GLU 23 Cb -0.34 -2.50 0.00 0.00 0.26 0.00 0.00 34.13 31.55 2wrr s GLU 23 CO 0.44 -1.08 0.00 0.25 -0.54 0.00 0.00 175.26 174.33 2wrr n THR 24 N 3.92 0.00 -4.26 -1.70 -2.24 -0.65 -4.90 114.28 104.45 2wrr n THR 24 Ca 0.05 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.63 2wrr n THR 24 Cb 0.37 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.48 2wrr n THR 24 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2wrr s TYR 25 N 2.43 1.55 -3.92 4.78 1.51 -1.26 0.12 117.35 122.55 2wrr s TYR 25 Ca 0.00 -0.49 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 2wrr s TYR 25 Cb 0.00 -0.82 0.00 0.00 -0.11 0.00 0.00 41.96 41.03 2wrr s TYR 25 CO 0.00 0.18 0.00 -1.13 -1.11 0.00 0.00 175.55 173.49 2wrr n SER 26 N 0.73 0.00 -4.81 2.29 3.41 -0.15 -4.91 113.62 110.18 2wrr n SER 26 Ca -0.17 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.11 2wrr n SER 26 Cb 0.56 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.49 2wrr n SER 26 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2wrr s THR 27 N -2.08 4.06 0.09 6.66 -1.32 -1.26 -2.89 115.64 118.89 2wrr s THR 27 Ca 0.00 1.06 0.00 0.00 -1.21 0.00 0.00 61.69 61.54 2wrr s THR 27 Cb 0.00 -3.51 0.00 0.00 -1.51 0.00 0.00 72.50 67.48 2wrr s THR 27 CO 0.00 -0.49 0.00 1.17 -2.21 0.00 0.00 174.62 173.09 2wrr n LYS 28 N -1.57 -4.60 -0.10 7.08 3.00 -1.26 -4.92 118.16 115.79 2wrr n LYS 28 Ca 0.08 3.37 -0.11 0.00 -0.00 0.00 0.00 58.31 61.66 2wrr n LYS 28 Cb 0.53 -3.93 0.03 0.00 0.00 0.00 0.00 35.03 31.67 2wrr n LYS 28 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 2wrr h PRO 29 N 3.67 0.84 -5.80 1.64 0.11 -1.85 -3.43 132.00 127.19 2wrr h PRO 29 Ca 0.00 -0.40 -0.61 0.00 0.11 0.00 0.00 66.00 65.10 2wrr h PRO 29 Cb 0.00 -0.01 -0.12 0.00 0.11 0.00 0.00 31.00 30.98 2wrr h PRO 29 CO 0.00 1.04 0.61 -1.21 -0.21 0.00 0.00 178.00 178.24 2wrr s GLU 30 N -4.46 3.26 -0.39 1.05 8.01 -1.26 -3.30 118.70 121.60 2wrr s GLU 30 Ca -0.10 -0.42 -0.02 0.00 0.01 0.00 0.00 54.97 54.43 2wrr s GLU 30 Cb 0.12 -4.12 0.10 0.00 -4.31 0.00 0.00 34.13 25.93 2wrr s GLU 30 CO 0.86 -1.65 0.18 0.42 0.01 0.00 0.00 175.26 175.08 2wrr s ILE 31 N 4.17 3.21 -1.48 -1.63 1.09 -1.26 -5.00 121.20 120.30 2wrr s ILE 31 Ca 0.29 -2.00 -0.10 0.00 -1.10 0.00 0.00 60.65 57.73 2wrr s ILE 31 Cb -0.13 -3.18 -0.07 0.00 -1.06 0.00 0.00 42.46 38.02 2wrr s ILE 31 CO 0.16 -0.63 2.72 0.00 -0.10 0.00 0.00 174.94 177.10 2wrr n TYR 32 N 4.58 2.40 -1.24 3.97 0.18 -1.26 -1.87 117.16 123.92 2wrr n TYR 32 Ca -0.03 -2.89 -0.36 0.00 1.88 0.00 0.00 57.90 56.51 2wrr n TYR 32 Cb 0.42 -2.37 0.08 0.00 -0.38 0.00 0.00 39.34 37.09 2wrr n TYR 32 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 2wrr n VAL 33 N 3.93 1.85 -0.12 -3.48 0.31 -1.05 -4.95 118.33 114.82 2wrr n VAL 33 Ca 0.70 -0.37 -0.25 0.00 -0.01 0.00 0.00 64.34 64.41 2wrr n VAL 33 Cb 0.24 -0.82 -0.10 0.00 -0.91 0.00 0.00 33.84 32.25 2wrr n VAL 33 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wrr n GLU 34 N -1.13 0.57 -3.49 5.55 4.71 -1.26 -2.92 120.64 122.67 2wrr n GLU 34 Ca 0.10 0.40 -0.14 0.00 -0.01 0.00 0.00 57.16 57.52 2wrr n GLU 34 Cb 0.50 -1.60 -0.04 0.00 -1.01 0.00 0.00 31.44 29.29 2wrr n GLU 34 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2wrr s VAL 35 N -2.45 0.01 0.00 2.62 1.01 -1.26 -3.45 120.40 116.88 2wrr s VAL 35 Ca -0.34 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.54 2wrr s VAL 35 Cb 0.11 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.48 2wrr s VAL 35 CO 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 175.10 175.57 2wrr n SER 37 N 0.00 -3.42 -0.22 0.00 7.64 -1.26 -3.08 113.62 113.28 2wrr n SER 37 Ca 0.00 -0.60 -0.03 0.00 1.01 0.00 0.00 58.87 59.25 2wrr n SER 37 Cb 0.00 -0.97 -0.01 0.00 -1.01 0.00 0.00 64.21 62.22 2wrr n SER 37 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2wrr n LYS 38 N -4.33 -1.27 -2.49 1.43 3.00 -1.26 -4.83 118.16 108.42 2wrr n LYS 38 Ca 0.09 0.47 -0.16 0.00 -0.00 0.00 0.00 58.31 58.71 2wrr n LYS 38 Cb 0.52 -4.50 0.02 0.00 0.00 0.00 0.00 35.03 31.08 2wrr n LYS 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wrr s HIS 40 N -3.51 -0.66 -0.39 0.00 5.65 -1.26 -4.35 115.29 110.77 2wrr s HIS 40 Ca 0.39 1.54 -0.21 0.00 0.25 0.00 0.00 55.06 57.03 2wrr s HIS 40 Cb 0.40 0.32 0.01 0.00 -1.18 0.00 0.00 32.58 32.14 2wrr s HIS 40 CO -0.05 -0.36 0.66 -2.14 -0.65 0.00 0.00 174.74 172.20 2wrr s PRO 41 N 0.07 3.52 -1.07 2.88 0.02 -1.26 -5.13 135.00 134.02 2wrr s PRO 41 Ca -0.00 -0.10 -0.03 0.00 0.02 0.00 0.00 61.00 60.89 2wrr s PRO 41 Cb -0.04 -3.87 0.30 0.00 0.02 0.00 0.00 34.50 30.91 2wrr s PRO 41 CO -0.00 -0.87 1.74 1.97 -0.33 0.00 0.00 177.00 179.51 2wrr n PHE 42 N 6.21 2.57 0.00 6.54 -1.74 -1.26 -5.01 117.46 124.76 2wrr n PHE 42 Ca -0.01 -2.58 0.00 0.00 -0.56 0.00 0.00 57.45 54.30 2wrr n PHE 42 Cb 0.48 -1.27 0.00 0.00 1.52 0.00 0.00 39.48 40.21 2wrr n PHE 42 CO 0.00 0.00 0.00 0.98 -0.56 0.00 0.00 176.76 177.18 2wrr n TYR 43 N 0.64 0.00 -0.48 2.97 9.36 -1.26 -5.02 117.16 123.37 2wrr n TYR 43 Ca 0.40 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.62 2wrr n TYR 43 Cb 0.29 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.00 2wrr n TYR 43 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 2wrr n THR 44 N 0.00 0.00 -1.37 2.97 5.66 -1.26 -5.16 114.28 115.12 2wrr n THR 44 Ca 0.00 0.00 0.17 0.00 -3.05 0.00 0.00 64.05 61.17 2wrr n THR 44 Cb 0.00 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.69 2wrr n THR 44 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wrr n GLY 45 N 0.00 -3.33 3.59 1.09 0.00 -1.26 -5.04 105.19 100.24 2wrr n GLY 45 Ca 0.00 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 2wrr n GLY 45 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wrr s GLN 46 N -4.19 1.63 0.00 1.61 2.00 -1.26 -5.16 119.66 114.28 2wrr s GLN 46 Ca 0.00 -1.32 0.00 0.00 -2.00 0.00 0.00 55.36 52.04 2wrr s GLN 46 Cb 0.00 0.48 0.00 0.00 0.80 0.00 0.00 33.01 34.29 2wrr s GLN 46 CO 0.00 -0.68 0.00 0.00 -0.50 0.00 0.00 175.29 174.11 2wrr n GLN 47 N -0.41 3.51 0.00 1.67 0.00 -1.26 -5.35 117.38 115.53 2wrr n GLN 47 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.98 2wrr n GLN 47 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.86 2wrr n GLN 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60