#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 1.38 -4.42 0.00 -5.35 -1.26 -4.85 119.36 104.85 2b9k n ILE 2 Ca 0.00 -0.19 -0.22 0.00 -0.27 0.00 0.00 62.75 62.06 2b9k n ILE 2 Cb 0.00 -1.02 -0.10 0.00 -1.74 0.00 0.00 39.64 36.77 2b9k n ILE 2 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2b9k s LYS 3 N -3.96 1.54 -0.07 6.28 2.47 0.63 -4.98 119.74 121.65 2b9k s LYS 3 Ca 0.69 -1.67 0.03 0.00 -1.56 0.00 0.00 55.97 53.46 2b9k s LYS 3 Cb -0.28 -1.56 -0.02 0.00 -1.46 0.00 0.00 37.83 34.51 2b9k s LYS 3 CO 0.55 0.29 -0.17 -0.51 0.16 0.00 0.00 175.35 175.67 2b9k s LEU 4 N -3.33 2.52 0.00 5.43 1.43 -1.26 -1.48 118.68 121.99 2b9k s LEU 4 Ca 0.26 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2b9k s LEU 4 Cb -0.04 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 2b9k s LEU 4 CO 0.12 0.27 -0.03 -0.69 0.23 0.00 0.00 176.35 176.25 2b9k s VAL 5 N -0.29 0.18 -0.27 -1.59 1.01 -0.83 -5.01 120.40 113.59 2b9k s VAL 5 Ca 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 2b9k s VAL 5 Cb -0.13 -0.19 0.13 0.00 0.00 0.00 0.00 36.38 36.19 2b9k s VAL 5 CO 0.03 -0.05 0.30 -1.10 0.00 0.00 0.00 175.10 174.28 2b9k s GLN 6 N -0.33 0.31 -0.02 2.72 -0.21 -1.26 -1.59 119.66 119.28 2b9k s GLN 6 Ca -0.02 -0.01 -0.20 0.00 0.02 0.00 0.00 55.36 55.15 2b9k s GLN 6 Cb -0.03 -0.68 0.04 0.00 1.00 0.00 0.00 33.01 33.34 2b9k s GLN 6 CO -0.00 -0.94 0.44 -1.12 -2.12 0.00 0.00 175.29 171.54 2b9k s SER 7 N 2.39 -0.35 0.41 5.90 0.01 -0.66 -5.01 113.70 116.39 2b9k s SER 7 Ca 0.09 0.30 0.20 0.00 1.31 0.00 0.00 55.95 57.85 2b9k s SER 7 Cb -0.14 0.39 0.87 0.00 0.21 0.00 0.00 66.02 67.35 2b9k s SER 7 CO -0.28 -0.51 1.83 1.55 0.41 0.00 0.00 173.24 176.24 2b9k h PRO 8 N 3.55 0.00 -0.12 12.44 0.13 -1.88 -1.82 132.00 144.30 2b9k h PRO 8 Ca -0.29 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.72 2b9k h PRO 8 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2b9k h PRO 8 CO 0.40 0.31 -0.47 -0.97 -0.23 0.00 0.00 178.00 177.04 2b9k h ASN 9 N 0.00 0.32 -2.72 1.44 -0.73 -1.97 -3.39 115.58 108.53 2b9k h ASN 9 Ca -0.00 -0.15 -0.38 0.00 1.87 0.00 0.00 56.30 57.64 2b9k h ASN 9 Cb 0.71 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 39.20 2b9k h ASN 9 CO 0.04 0.75 -0.49 0.61 -0.37 0.00 0.00 177.43 177.97 2b9k n GLY 10 N -0.01 -0.42 3.47 1.57 0.00 -1.21 -4.86 105.19 103.73 2b9k n GLY 10 Ca -0.02 -0.08 -0.47 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.64 1.81 -4.56 1.61 5.15 -1.26 -4.90 115.26 111.47 2b9k n ASN 11 Ca -0.23 0.21 -0.41 0.00 -0.60 0.00 0.00 54.58 53.56 2b9k n ASN 11 Cb 0.67 -1.25 -0.03 0.00 -0.53 0.00 0.00 39.78 38.64 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 8.47 2.11 -0.95 1.20 5.36 -1.26 -4.88 117.98 128.03 2b9k s PHE 12 Ca 1.12 0.45 0.27 0.00 -0.96 0.00 0.00 56.93 57.81 2b9k s PHE 12 Cb -0.82 -4.36 0.94 0.00 -0.34 0.00 0.00 43.02 38.45 2b9k s PHE 12 CO 0.45 -2.12 1.74 0.00 -1.46 0.00 0.00 175.22 173.83 2b9k n ALA 13 N 10.35 2.69 -0.06 11.12 0.00 -1.26 -4.97 120.51 138.37 2b9k n ALA 13 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2b9k n ALA 13 Cb 0.50 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.55 0.00 -3.56 0.00 0.00 -1.26 -4.69 120.51 109.44 2b9k n ALA 14 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 2b9k n ALA 14 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.38 -0.39 0.37 0.00 1.04 -1.26 -1.06 113.70 112.02 2b9k s SER 15 Ca 0.00 -0.14 -0.15 0.00 0.48 0.00 0.00 55.95 56.14 2b9k s SER 15 Cb 0.00 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.68 2b9k s SER 15 CO 0.00 -0.86 0.75 0.12 0.98 0.00 0.00 173.24 174.22 2b9k s PHE 16 N -3.44 0.17 -0.04 5.02 5.36 -0.17 -4.95 117.98 119.93 2b9k s PHE 16 Ca 0.06 -0.78 0.01 0.00 -0.96 0.00 0.00 56.93 55.26 2b9k s PHE 16 Cb -0.02 0.73 0.02 0.00 -0.34 0.00 0.00 43.02 43.41 2b9k s PHE 16 CO -0.07 -1.48 -0.02 0.08 -1.46 0.00 0.00 175.22 172.27 2b9k s VAL 17 N -2.61 0.35 -0.14 3.12 1.01 -1.26 -0.82 120.40 120.04 2b9k s VAL 17 Ca 0.16 -0.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.92 2b9k s VAL 17 Cb -0.05 -0.41 0.05 0.00 0.00 0.00 0.00 36.38 35.98 2b9k s VAL 17 CO 0.12 0.18 0.54 -0.22 0.00 0.00 0.00 175.10 175.72 2b9k s LEU 18 N 0.96 -0.08 -1.53 3.92 2.96 -0.47 -4.95 118.68 119.49 2b9k s LEU 18 Ca -0.11 0.87 -0.05 0.00 -0.22 0.00 0.00 54.13 54.63 2b9k s LEU 18 Cb -0.14 1.94 0.05 0.00 0.50 0.00 0.00 46.19 48.53 2b9k s LEU 18 CO -0.01 -0.32 0.41 -0.67 -1.32 0.00 0.00 176.35 174.44 2b9k n ASP 19 N 2.15 -0.72 -1.76 3.68 2.03 -1.26 -1.44 116.55 119.24 2b9k n ASP 19 Ca -0.16 -1.08 -0.19 0.00 0.52 0.00 0.00 54.79 53.87 2b9k n ASP 19 Cb 0.56 -2.58 -0.05 0.00 -0.72 0.00 0.00 41.12 38.33 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 -1.96 0.99 3.07 0.27 0.00 -1.26 -4.97 105.19 101.34 2b9k n GLY 20 Ca -0.21 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.81 0.63 0.24 2.61 2.01 -0.52 -5.16 115.64 112.64 2b9k s THR 21 Ca 0.00 -0.99 -0.09 0.00 0.31 0.00 0.00 61.69 60.91 2b9k s THR 21 Cb 0.00 -0.66 -0.07 0.00 0.01 0.00 0.00 72.50 71.78 2b9k s THR 21 CO 0.00 -0.27 0.55 -0.75 -0.69 0.00 0.00 174.62 173.46 2b9k s LYS 22 N -1.39 3.79 -0.00 4.92 2.20 -1.26 -1.37 119.74 126.63 2b9k s LYS 22 Ca -0.07 0.26 0.01 0.00 -0.36 0.00 0.00 55.97 55.81 2b9k s LYS 22 Cb -0.09 -2.64 -0.00 0.00 -1.51 0.00 0.00 37.83 33.59 2b9k s LYS 22 CO 0.01 0.30 -0.05 -1.58 -0.36 0.00 0.00 175.35 173.67 2b9k s TRP 23 N -1.85 0.42 0.12 4.03 0.52 0.00 -4.95 118.94 117.24 2b9k s TRP 23 Ca 0.47 -0.10 -0.19 0.00 0.02 0.00 0.00 56.10 56.30 2b9k s TRP 23 Cb -0.11 -0.27 0.05 0.00 -1.15 0.00 0.00 33.47 31.99 2b9k s TRP 23 CO 0.22 -0.01 0.47 -1.50 0.02 0.00 0.00 176.95 176.15 2b9k s ILE 24 N -0.18 0.04 0.76 2.03 2.07 0.31 -1.00 121.20 125.24 2b9k s ILE 24 Ca 0.01 -0.37 -0.15 0.00 -1.41 0.00 0.00 60.65 58.73 2b9k s ILE 24 Cb -0.02 -1.09 0.01 0.00 0.13 0.00 0.00 42.46 41.49 2b9k s ILE 24 CO -0.00 -0.20 0.85 0.33 -1.91 0.00 0.00 174.94 174.00 2b9k n PHE 25 N -0.17 0.20 0.12 3.50 7.35 -0.22 -1.16 117.46 127.08 2b9k n PHE 25 Ca -0.17 0.37 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 2b9k n PHE 25 Cb 0.64 -2.01 0.00 0.00 0.35 0.00 0.00 39.48 38.45 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 -1.84 0.00 -3.44 -4.13 0.00 -1.24 -4.68 118.16 102.83 2b9k n LYS 26 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.31 2b9k n LYS 26 Cb 0.50 -0.10 -0.02 0.00 0.00 0.00 0.00 35.03 35.41 2b9k n LYS 26 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2b9k s SER 27 N -5.18 -0.53 0.05 3.14 1.04 -0.26 -5.01 113.70 106.96 2b9k s SER 27 Ca 0.00 0.01 -0.02 0.00 0.48 0.00 0.00 55.95 56.41 2b9k s SER 27 Cb 0.00 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 2b9k s SER 27 CO 0.00 -0.89 0.01 -0.54 0.98 0.00 0.00 173.24 172.80 2b9k s LYS 28 N -3.59 0.61 0.09 4.02 1.02 -1.26 -1.77 119.74 118.86 2b9k s LYS 28 Ca 0.02 -1.08 -0.13 0.00 0.02 0.00 0.00 55.97 54.79 2b9k s LYS 28 Cb -0.01 0.22 0.02 0.00 -0.52 0.00 0.00 37.83 37.54 2b9k s LYS 28 CO -0.12 -0.13 0.31 1.52 -0.92 0.00 0.00 175.35 176.02 2b9k s TYR 29 N -3.54 -0.07 -0.21 3.18 1.13 -0.10 -4.97 117.35 112.77 2b9k s TYR 29 Ca 0.03 -0.22 -0.19 0.00 -1.41 0.00 0.00 57.07 55.28 2b9k s TYR 29 Cb 0.05 0.12 -0.03 0.00 -1.10 0.00 0.00 41.96 41.00 2b9k s TYR 29 CO -0.09 -0.60 0.53 -0.47 -2.51 0.00 0.00 175.55 172.41 2b9k s TYR 30 N -3.48 3.35 -0.91 -3.49 5.04 -1.26 -0.87 117.35 115.73 2b9k s TYR 30 Ca 0.01 0.76 -0.15 0.00 -2.44 0.00 0.00 57.07 55.25 2b9k s TYR 30 Cb 0.02 -2.69 0.19 0.00 0.35 0.00 0.00 41.96 39.83 2b9k s TYR 30 CO -0.09 -0.15 0.96 0.34 -1.34 0.00 0.00 175.55 175.27 2b9k s ASP 31 N 1.24 6.77 0.38 4.32 2.15 0.23 -4.89 116.67 126.87 2b9k s ASP 31 Ca 0.24 -2.54 0.22 0.00 0.43 0.00 0.00 52.55 50.89 2b9k s ASP 31 Cb -0.15 -2.29 1.17 0.00 -0.30 0.00 0.00 42.92 41.35 2b9k s ASP 31 CO 0.09 -0.74 1.63 0.28 -0.17 0.00 0.00 175.17 176.26 2b9k h SER 32 N 8.05 0.00 0.32 -0.34 0.02 -1.96 0.84 113.55 120.48 2b9k h SER 32 Ca 0.14 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2b9k h SER 32 Cb 1.01 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.55 2b9k h SER 32 CO 0.92 0.00 -0.10 0.28 -1.14 0.00 0.00 176.83 176.80 2b9k h SER 33 N 0.00 0.00 0.00 3.07 0.02 -1.94 -3.27 113.55 111.42 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 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2b9k h SER 33 CO 0.00 0.10 -0.12 0.29 -1.14 0.00 0.00 176.83 175.96 2b9k n LYS 34 N -3.64 3.34 -2.51 3.45 4.76 -0.68 -5.06 118.16 117.83 2b9k n LYS 34 Ca -0.02 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.37 2b9k n LYS 34 Cb 0.21 -0.37 0.02 0.00 -1.84 0.00 0.00 35.03 33.06 2b9k n LYS 34 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2b9k n GLY 35 N 0.67 0.37 3.30 0.72 0.00 0.20 -5.07 105.19 105.37 2b9k n GLY 35 Ca 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.09 0.72 0.40 1.61 -0.85 -1.19 -4.84 117.35 110.11 2b9k s TYR 36 Ca 0.05 -1.04 -0.19 0.00 -0.52 0.00 0.00 57.07 55.37 2b9k s TYR 36 Cb -0.02 -0.26 -0.10 0.00 0.38 0.00 0.00 41.96 41.95 2b9k s TYR 36 CO 0.18 -0.70 0.88 -1.58 -1.52 0.00 0.00 175.55 172.82 2b9k s TRP 37 N -4.05 3.33 0.07 -3.49 0.52 -0.69 -0.60 118.94 114.03 2b9k s TRP 37 Ca 0.26 1.48 0.03 0.00 0.02 0.00 0.00 56.10 57.89 2b9k s TRP 37 Cb 0.05 -2.75 -0.03 0.00 -1.15 0.00 0.00 33.47 29.59 2b9k s TRP 37 CO 0.05 -0.05 -0.09 0.08 0.02 0.00 0.00 176.95 176.96 2b9k s VAL 38 N -2.12 0.75 0.12 4.03 1.01 -0.05 -1.66 120.40 122.47 2b9k s VAL 38 Ca 0.59 -1.37 -0.25 0.00 0.00 0.00 0.00 61.98 60.95 2b9k s VAL 38 Cb -0.09 -1.01 0.07 0.00 0.00 0.00 0.00 36.38 35.35 2b9k s VAL 38 CO 0.15 -0.47 0.86 -0.83 0.00 0.00 0.00 175.10 174.80 2b9k s GLY 39 N -2.02 -0.35 -0.19 4.51 0.00 -0.62 -0.92 107.32 107.73 2b9k s GLY 39 Ca -0.02 0.42 -0.06 0.00 0.00 0.00 0.00 44.72 45.06 2b9k s GLY 39 CO -0.00 0.13 0.02 -0.42 0.00 0.00 0.00 173.10 172.82 2b9k s ILE 40 N -3.37 4.23 -0.09 0.90 1.01 -0.73 -1.97 121.20 121.18 2b9k s ILE 40 Ca 0.08 -0.22 -0.06 0.00 0.00 0.00 0.00 60.65 60.44 2b9k s ILE 40 Cb -0.02 -2.91 0.03 0.00 0.01 0.00 0.00 42.46 39.57 2b9k s ILE 40 CO -0.03 0.44 0.22 -0.47 0.00 0.00 0.00 174.94 175.09 2b9k s TYR 41 N 0.79 -0.25 -0.43 3.97 6.14 -0.55 -1.10 117.35 125.92 2b9k s TYR 41 Ca 0.01 0.62 0.05 0.00 0.64 0.00 0.00 57.07 58.39 2b9k s TYR 41 Cb -0.14 0.06 0.59 0.00 0.42 0.00 0.00 41.96 42.89 2b9k s TYR 41 CO 0.02 -0.15 1.79 -1.91 0.64 0.00 0.00 175.55 175.94 2b9k n GLU 42 N 3.45 2.23 0.01 4.97 2.13 -0.31 -0.27 120.64 132.85 2b9k n GLU 42 Ca -0.18 -3.13 0.00 0.00 0.66 0.00 0.00 57.16 54.51 2b9k n GLU 42 Cb 0.56 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 30.18 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 -2.14 6.31 3.14 -1.19 -0.53 118.33 122.82 2b9k n VAL 43 Ca 0.53 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.54 2b9k n VAL 43 Cb 1.36 -0.16 0.01 0.00 -1.06 0.00 0.00 33.84 34.00 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 -2.00 2.63 -0.35 1.45 -0.00 -1.26 -4.97 118.94 114.43 2b9k s TRP 44 Ca 0.00 1.51 0.14 0.00 -0.00 0.00 0.00 56.10 57.75 2b9k s TRP 44 Cb 0.00 -3.43 0.43 0.00 -0.00 0.00 0.00 33.47 30.47 2b9k s TRP 44 CO 0.00 -1.87 1.24 -3.47 -0.00 0.00 0.00 176.95 172.86 2b9k n ASP 45 N -1.05 -0.50 -0.11 5.86 2.03 -1.26 -4.83 116.55 116.69 2b9k n ASP 45 Ca 0.10 -2.45 -0.01 0.00 0.52 0.00 0.00 54.79 52.95 2b9k n ASP 45 Cb 0.49 0.36 -0.01 0.00 -0.72 0.00 0.00 41.12 41.24 2b9k n ASP 45 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2b9k n ARG 46 N -0.59 -1.72 0.00 -0.67 1.74 -1.26 -5.14 116.66 109.02 2b9k n ARG 46 Ca -0.01 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 2b9k n ARG 46 Cb 0.84 -4.81 0.00 0.00 -1.02 0.00 0.00 32.46 27.47 2b9k n ARG 46 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74