#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b9k n ILE 2 N 0.00 0.99 -4.34 0.00 -5.35 -1.26 -4.87 119.36 104.53 2b9k n ILE 2 Ca 0.00 -0.11 -0.24 0.00 -0.27 0.00 0.00 62.75 62.13 2b9k n ILE 2 Cb 0.00 -1.08 -0.08 0.00 -1.74 0.00 0.00 39.64 36.73 2b9k n ILE 2 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2b9k s LYS 3 N -4.34 2.08 -0.06 6.28 1.02 0.60 -4.98 119.74 120.33 2b9k s LYS 3 Ca 0.70 -1.63 0.05 0.00 0.02 0.00 0.00 55.97 55.10 2b9k s LYS 3 Cb -0.26 -1.98 -0.02 0.00 -0.52 0.00 0.00 37.83 35.05 2b9k s LYS 3 CO 0.55 0.26 -0.21 -0.51 -0.92 0.00 0.00 175.35 174.52 2b9k s LEU 4 N -3.66 2.32 0.02 3.17 1.43 -1.26 -1.44 118.68 119.26 2b9k s LEU 4 Ca 0.33 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2b9k s LEU 4 Cb -0.03 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.73 2b9k s LEU 4 CO 0.19 0.27 -0.03 -0.69 0.23 0.00 0.00 176.35 176.32 2b9k s VAL 5 N -0.32 0.19 -0.11 -1.59 1.01 -0.76 -5.00 120.40 113.82 2b9k s VAL 5 Ca 0.02 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 2b9k s VAL 5 Cb -0.13 -0.28 0.06 0.00 0.00 0.00 0.00 36.38 36.04 2b9k s VAL 5 CO 0.02 -0.31 0.23 -1.10 0.00 0.00 0.00 175.10 173.94 2b9k s GLN 6 N -1.04 0.11 -0.03 2.72 -0.21 -1.26 -1.25 119.66 118.71 2b9k s GLN 6 Ca -0.10 0.68 -0.29 0.00 0.02 0.00 0.00 55.36 55.68 2b9k s GLN 6 Cb -0.07 -0.11 0.07 0.00 1.00 0.00 0.00 33.01 33.90 2b9k s GLN 6 CO -0.00 -0.29 0.64 -1.12 -2.12 0.00 0.00 175.29 172.40 2b9k s SER 7 N 2.32 -0.60 0.42 5.90 0.01 -0.43 -4.95 113.70 116.36 2b9k s SER 7 Ca 0.01 0.59 0.19 0.00 1.31 0.00 0.00 55.95 58.05 2b9k s SER 7 Cb -0.12 0.52 0.92 0.00 0.21 0.00 0.00 66.02 67.56 2b9k s SER 7 CO -0.08 -0.63 1.87 1.55 0.41 0.00 0.00 173.24 176.36 2b9k h PRO 8 N 2.98 0.00 0.00 12.44 0.13 -1.89 -1.23 132.00 144.43 2b9k h PRO 8 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2b9k h PRO 8 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2b9k h PRO 8 CO 0.39 0.29 -0.10 -2.95 -0.23 0.00 0.00 178.00 175.41 2b9k h ASN 9 N 0.00 0.00 -5.13 1.44 7.08 -1.94 -3.39 115.58 113.65 2b9k h ASN 9 Ca -0.00 -0.01 -0.36 0.00 -3.08 0.00 0.00 56.30 52.84 2b9k h ASN 9 Cb 0.64 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.82 2b9k h ASN 9 CO 0.04 0.01 -0.53 0.61 -2.08 0.00 0.00 177.43 175.48 2b9k n GLY 10 N 1.21 -0.49 3.53 9.14 0.00 -1.19 -4.79 105.19 112.60 2b9k n GLY 10 Ca 0.04 0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2b9k n GLY 10 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2b9k n ASN 11 N -2.26 1.58 -4.64 1.61 5.15 -1.26 -4.90 115.26 110.54 2b9k n ASN 11 Ca -0.04 -0.35 -0.43 0.00 -0.60 0.00 0.00 54.58 53.16 2b9k n ASN 11 Cb 0.56 -1.36 -0.02 0.00 -0.53 0.00 0.00 39.78 38.42 2b9k n ASN 11 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2b9k s PHE 12 N 11.11 2.58 -0.84 1.20 5.36 -1.26 -4.92 117.98 131.22 2b9k s PHE 12 Ca 1.10 0.81 0.23 0.00 -0.96 0.00 0.00 56.93 58.11 2b9k s PHE 12 Cb -0.52 -3.77 0.08 0.00 -0.34 0.00 0.00 43.02 38.46 2b9k s PHE 12 CO 0.33 -2.10 1.08 0.00 -1.46 0.00 0.00 175.22 173.07 2b9k n ALA 13 N 7.35 3.90 0.00 11.12 0.00 -1.26 -5.01 120.51 136.61 2b9k n ALA 13 Ca 0.15 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2b9k n ALA 13 Cb 0.45 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2b9k n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b9k n ALA 14 N -1.63 0.00 -3.55 0.00 0.00 -1.26 -4.70 120.51 109.37 2b9k n ALA 14 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.39 2b9k n ALA 14 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.80 2b9k n ALA 14 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2b9k s SER 15 N 0.00 -0.40 0.35 0.00 1.04 -1.26 -0.94 113.70 112.50 2b9k s SER 15 Ca 0.00 -0.12 -0.16 0.00 0.48 0.00 0.00 55.95 56.15 2b9k s SER 15 Cb 0.00 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.67 2b9k s SER 15 CO 0.00 -0.86 0.73 0.12 0.98 0.00 0.00 173.24 174.21 2b9k s PHE 16 N -3.45 0.15 -0.03 5.02 5.36 -0.28 -4.95 117.98 119.80 2b9k s PHE 16 Ca 0.05 -0.72 0.01 0.00 -0.96 0.00 0.00 56.93 55.31 2b9k s PHE 16 Cb -0.02 0.70 0.02 0.00 -0.34 0.00 0.00 43.02 43.38 2b9k s PHE 16 CO -0.07 -1.43 -0.02 0.08 -1.46 0.00 0.00 175.22 172.32 2b9k s VAL 17 N -2.82 0.26 -0.14 3.12 1.01 -1.26 -0.76 120.40 119.81 2b9k s VAL 17 Ca 0.16 -0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 2b9k s VAL 17 Cb -0.05 -0.31 0.04 0.00 0.00 0.00 0.00 36.38 36.07 2b9k s VAL 17 CO 0.11 0.14 0.34 -0.22 0.00 0.00 0.00 175.10 175.48 2b9k s LEU 18 N 0.74 0.40 -1.45 3.92 2.96 -0.33 -4.94 118.68 119.99 2b9k s LEU 18 Ca -0.08 0.72 -0.01 0.00 -0.22 0.00 0.00 54.13 54.54 2b9k s LEU 18 Cb -0.11 1.14 0.00 0.00 0.50 0.00 0.00 46.19 47.72 2b9k s LEU 18 CO -0.01 -0.15 0.29 -0.67 -1.32 0.00 0.00 176.35 174.49 2b9k n ASP 19 N 3.57 0.01 -1.21 3.68 2.03 -1.26 -1.49 116.55 121.89 2b9k n ASP 19 Ca -0.19 -1.10 -0.15 0.00 0.52 0.00 0.00 54.79 53.88 2b9k n ASP 19 Cb 0.56 -2.57 -0.06 0.00 -0.72 0.00 0.00 41.12 38.34 2b9k n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2b9k n GLY 20 N -2.18 1.32 3.10 0.27 0.00 -1.26 -4.98 105.19 101.45 2b9k n GLY 20 Ca -0.31 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 2b9k n GLY 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b9k s THR 21 N -2.58 1.11 0.30 2.61 2.01 -0.55 -5.15 115.64 113.40 2b9k s THR 21 Ca 0.00 -0.58 -0.11 0.00 0.31 0.00 0.00 61.69 61.31 2b9k s THR 21 Cb 0.00 -0.94 -0.07 0.00 0.01 0.00 0.00 72.50 71.50 2b9k s THR 21 CO 0.00 0.32 0.66 -0.75 -0.69 0.00 0.00 174.62 174.15 2b9k s LYS 22 N -0.21 3.84 -0.00 4.92 2.20 -1.26 -1.18 119.74 128.05 2b9k s LYS 22 Ca 0.03 0.41 0.01 0.00 -0.36 0.00 0.00 55.97 56.06 2b9k s LYS 22 Cb -0.07 -2.52 -0.00 0.00 -1.51 0.00 0.00 37.83 33.73 2b9k s LYS 22 CO -0.00 0.18 -0.05 -1.58 -0.36 0.00 0.00 175.35 173.54 2b9k s TRP 23 N -2.02 0.40 0.05 4.03 0.52 0.06 -4.95 118.94 117.03 2b9k s TRP 23 Ca 0.50 -0.10 -0.17 0.00 0.02 0.00 0.00 56.10 56.35 2b9k s TRP 23 Cb -0.11 -0.26 0.03 0.00 -1.15 0.00 0.00 33.47 31.99 2b9k s TRP 23 CO 0.23 -0.01 0.39 -1.50 0.02 0.00 0.00 176.95 176.08 2b9k s ILE 24 N -0.18 0.06 0.81 2.03 1.10 0.57 -1.13 121.20 124.46 2b9k s ILE 24 Ca 0.01 -0.51 -0.14 0.00 -0.51 0.00 0.00 60.65 59.51 2b9k s ILE 24 Cb -0.02 -0.96 0.06 0.00 0.15 0.00 0.00 42.46 41.69 2b9k s ILE 24 CO -0.00 -0.28 1.00 0.33 -2.11 0.00 0.00 174.94 173.88 2b9k n PHE 25 N 0.48 0.62 0.07 3.50 7.35 -0.11 -1.56 117.46 127.81 2b9k n PHE 25 Ca -0.18 0.38 0.00 0.00 -0.76 0.00 0.00 57.45 56.88 2b9k n PHE 25 Cb 0.60 -2.04 0.00 0.00 0.35 0.00 0.00 39.48 38.39 2b9k n PHE 25 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 2b9k n LYS 26 N -2.68 0.00 -3.70 -4.13 0.00 -1.25 -4.69 118.16 101.71 2b9k n LYS 26 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.29 2b9k n LYS 26 Cb 0.51 -0.02 -0.08 0.00 0.00 0.00 0.00 35.03 35.44 2b9k n LYS 26 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2b9k s SER 27 N -4.56 -0.31 -0.09 3.14 0.01 -0.12 -5.01 113.70 106.76 2b9k s SER 27 Ca 0.00 0.26 -0.14 0.00 1.31 0.00 0.00 55.95 57.38 2b9k s SER 27 Cb 0.00 0.38 0.03 0.00 0.21 0.00 0.00 66.02 66.64 2b9k s SER 27 CO 0.00 -0.48 0.35 -0.75 0.41 0.00 0.00 173.24 172.77 2b9k s LYS 28 N -1.26 0.51 0.04 12.44 2.20 -1.26 -1.25 119.74 131.17 2b9k s LYS 28 Ca -0.13 0.26 -0.15 0.00 -0.36 0.00 0.00 55.97 55.59 2b9k s LYS 28 Cb -0.04 0.24 0.02 0.00 -1.51 0.00 0.00 37.83 36.55 2b9k s LYS 28 CO 0.06 -0.10 0.33 1.52 -0.36 0.00 0.00 175.35 176.80 2b9k s TYR 29 N -0.36 -0.15 -0.21 4.03 1.13 0.09 -4.98 117.35 116.90 2b9k s TYR 29 Ca -0.05 0.05 -0.21 0.00 -1.41 0.00 0.00 57.07 55.45 2b9k s TYR 29 Cb -0.03 0.13 -0.02 0.00 -1.10 0.00 0.00 41.96 40.93 2b9k s TYR 29 CO 0.02 -0.52 0.64 -0.47 -2.51 0.00 0.00 175.55 172.71 2b9k s TYR 30 N -2.51 3.36 -0.82 -3.49 5.04 -1.26 -0.78 117.35 116.89 2b9k s TYR 30 Ca -0.05 0.92 -0.15 0.00 -2.44 0.00 0.00 57.07 55.35 2b9k s TYR 30 Cb -0.01 -2.82 0.20 0.00 0.35 0.00 0.00 41.96 39.68 2b9k s TYR 30 CO -0.03 -0.21 0.79 0.34 -1.34 0.00 0.00 175.55 175.10 2b9k s ASP 31 N 1.26 6.71 0.25 4.32 2.15 0.39 -4.91 116.67 126.83 2b9k s ASP 31 Ca 0.29 -2.55 0.14 0.00 0.43 0.00 0.00 52.55 50.86 2b9k s ASP 31 Cb -0.16 -2.23 0.79 0.00 -0.30 0.00 0.00 42.92 41.02 2b9k s ASP 31 CO 0.10 -0.65 1.40 -1.20 -0.17 0.00 0.00 175.17 174.65 2b9k n SER 32 N 4.37 0.38 0.28 -0.34 7.64 -1.26 -0.89 113.62 123.79 2b9k n SER 32 Ca 0.13 0.64 0.13 0.00 1.01 0.00 0.00 58.87 60.78 2b9k n SER 32 Cb 0.47 -0.66 0.80 0.00 -1.01 0.00 0.00 64.21 63.81 2b9k n SER 32 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2b9k h SER 33 N 0.00 0.00 0.00 6.43 0.02 -1.94 -3.25 113.55 114.82 2b9k h SER 33 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2b9k h SER 33 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2b9k h SER 33 CO 0.00 0.07 0.00 1.17 -1.14 0.00 0.00 176.83 176.93 2b9k n LYS 34 N -3.75 2.85 -2.30 3.45 4.81 -0.86 -5.06 118.16 117.30 2b9k n LYS 34 Ca -0.02 -0.01 -0.03 0.00 -0.87 0.00 0.00 58.31 57.38 2b9k n LYS 34 Cb 0.17 -0.22 0.01 0.00 0.02 0.00 0.00 35.03 35.01 2b9k n LYS 34 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2b9k n GLY 35 N 0.41 0.37 3.22 3.14 0.00 -0.06 -5.08 105.19 107.18 2b9k n GLY 35 Ca 0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 2b9k n GLY 35 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2b9k s TYR 36 N -3.06 0.47 0.38 1.61 1.13 -1.17 -4.85 117.35 111.87 2b9k s TYR 36 Ca 0.01 -0.89 -0.20 0.00 -1.41 0.00 0.00 57.07 54.59 2b9k s TYR 36 Cb -0.01 -0.22 -0.10 0.00 -1.10 0.00 0.00 41.96 40.54 2b9k s TYR 36 CO 0.12 -0.57 0.88 -1.58 -2.51 0.00 0.00 175.55 171.89 2b9k s TRP 37 N -3.95 3.38 0.05 -3.49 0.52 -0.47 -0.46 118.94 114.52 2b9k s TRP 37 Ca 0.14 1.51 0.02 0.00 0.02 0.00 0.00 56.10 57.79 2b9k s TRP 37 Cb 0.05 -2.76 -0.03 0.00 -1.15 0.00 0.00 33.47 29.58 2b9k s TRP 37 CO -0.04 -0.00 -0.07 0.08 0.02 0.00 0.00 176.95 176.94 2b9k s VAL 38 N -2.04 0.52 0.16 4.03 1.01 0.04 -1.31 120.40 122.81 2b9k s VAL 38 Ca 0.58 -1.33 -0.24 0.00 0.00 0.00 0.00 61.98 60.99 2b9k s VAL 38 Cb -0.11 -0.90 0.06 0.00 0.00 0.00 0.00 36.38 35.43 2b9k s VAL 38 CO 0.16 -0.56 0.85 -0.83 0.00 0.00 0.00 175.10 174.72 2b9k s GLY 39 N -2.03 -0.27 -0.20 4.51 0.00 -0.38 -0.73 107.32 108.22 2b9k s GLY 39 Ca -0.04 0.19 -0.04 0.00 0.00 0.00 0.00 44.72 44.84 2b9k s GLY 39 CO -0.02 0.05 -0.04 -0.42 0.00 0.00 0.00 173.10 172.67 2b9k s ILE 40 N -3.46 3.50 -0.09 0.90 1.01 -0.38 -1.83 121.20 120.85 2b9k s ILE 40 Ca 0.10 -0.46 -0.06 0.00 0.00 0.00 0.00 60.65 60.22 2b9k s ILE 40 Cb -0.02 -2.58 0.04 0.00 0.01 0.00 0.00 42.46 39.91 2b9k s ILE 40 CO 0.00 0.44 0.23 -0.47 0.00 0.00 0.00 174.94 175.14 2b9k s TYR 41 N 1.17 -0.28 -0.45 3.97 6.14 -0.52 -0.94 117.35 126.44 2b9k s TYR 41 Ca 0.02 0.68 0.04 0.00 0.64 0.00 0.00 57.07 58.45 2b9k s TYR 41 Cb -0.14 0.05 0.60 0.00 0.42 0.00 0.00 41.96 42.89 2b9k s TYR 41 CO -0.01 -0.18 1.83 -1.91 0.64 0.00 0.00 175.55 175.93 2b9k n GLU 42 N 3.70 2.27 0.00 4.97 2.13 -0.60 -0.29 120.64 132.81 2b9k n GLU 42 Ca -0.20 -3.12 0.00 0.00 0.66 0.00 0.00 57.16 54.50 2b9k n GLU 42 Cb 0.55 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.13 2b9k n GLU 42 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2b9k n VAL 43 N -1.10 0.00 -1.93 6.31 3.14 -1.18 -0.32 118.33 123.24 2b9k n VAL 43 Ca 0.55 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.56 2b9k n VAL 43 Cb 1.39 -0.11 0.04 0.00 -1.06 0.00 0.00 33.84 34.10 2b9k n VAL 43 CO 0.00 0.00 0.00 0.86 -6.46 0.00 0.00 176.83 171.23 2b9k s TRP 44 N -1.71 2.34 -0.14 1.45 -0.00 -1.26 -4.96 118.94 114.65 2b9k s TRP 44 Ca 0.00 1.49 0.23 0.00 -0.00 0.00 0.00 56.10 57.81 2b9k s TRP 44 Cb 0.00 -3.58 0.46 0.00 -0.00 0.00 0.00 33.47 30.36 2b9k s TRP 44 CO 0.00 -2.44 1.15 -3.47 -0.00 0.00 0.00 176.95 172.19 2b9k n ASP 45 N -1.48 1.52 -3.63 5.86 2.03 -1.26 -4.86 116.55 114.72 2b9k n ASP 45 Ca 0.13 -2.23 -0.23 0.00 0.52 0.00 0.00 54.79 52.97 2b9k n ASP 45 Cb 0.48 -0.39 0.07 0.00 -0.72 0.00 0.00 41.12 40.56 2b9k n ASP 45 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2b9k n ARG 46 N -0.14 -6.92 0.00 -0.67 0.63 -1.26 -5.14 116.66 103.15 2b9k n ARG 46 Ca 0.10 0.77 0.00 0.00 -0.92 0.00 0.00 57.85 57.79 2b9k n ARG 46 Cb 0.96 -5.74 0.00 0.00 0.45 0.00 0.00 32.46 28.13 2b9k n ARG 46 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29