#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b9k s ILE 2 N 0.00 2.33 0.38 0.00 -4.36 -1.26 -4.85 121.20 113.44 2b9k s ILE 2 Ca 0.00 0.18 0.06 0.00 -0.26 0.00 0.00 60.65 60.63 2b9k s ILE 2 Cb 0.00 -2.85 -0.00 0.00 1.25 0.00 0.00 42.46 40.86 2b9k s ILE 2 CO 0.00 -0.07 0.54 -0.54 0.24 0.00 0.00 174.94 175.10 2b9k s LYS 3 N -3.74 3.00 -0.07 0.37 -0.14 0.78 -4.99 119.74 114.95 2b9k s LYS 3 Ca 0.76 -1.00 0.05 0.00 -1.36 0.00 0.00 55.97 54.42 2b9k s LYS 3 Cb -0.31 -2.76 -0.01 0.00 -1.68 0.00 0.00 37.83 33.08 2b9k s LYS 3 CO 0.42 -0.11 -0.23 -0.51 -0.76 0.00 0.00 175.35 174.16 2b9k s LEU 4 N -4.30 2.04 0.01 3.17 1.43 -1.26 -2.30 118.68 117.47 2b9k s LEU 4 Ca 0.49 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2b9k s LEU 4 Cb -0.10 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 44.79 2b9k s LEU 4 CO 0.33 0.20 -0.01 -0.69 0.23 0.00 0.00 176.35 176.41 2b9k s VAL 5 N 0.03 0.07 -0.17 -1.59 1.01 -0.87 -5.01 120.40 113.86 2b9k s VAL 5 Ca -0.08 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 2b9k s VAL 5 Cb -0.15 -0.17 0.05 0.00 0.00 0.00 0.00 36.38 36.11 2b9k s VAL 5 CO 0.05 -0.30 0.52 0.00 0.00 0.00 0.00 175.10 175.37 2b9k s GLN 6 N -0.89 0.65 -0.18 2.72 0.00 -1.26 -0.89 119.66 119.81 2b9k s GLN 6 Ca -0.10 0.63 -0.31 0.00 -0.00 0.00 0.00 55.36 55.58 2b9k s GLN 6 Cb -0.06 0.32 0.14 0.00 0.00 0.00 0.00 33.01 33.41 2b9k s GLN 6 CO -0.01 -0.10 1.14 -1.12 0.00 0.00 0.00 175.29 175.20 2b9k s SER 7 N 0.05 -0.22 0.43 12.60 0.01 -0.59 -4.85 113.70 121.13 2b9k s SER 7 Ca -0.02 0.15 0.21 0.00 1.31 0.00 0.00 55.95 57.60 2b9k s SER 7 Cb -0.04 0.20 0.95 0.00 0.21 0.00 0.00 66.02 67.34 2b9k s SER 7 CO 0.02 -0.26 1.86 1.55 0.41 0.00 0.00 173.24 176.81 2b9k h PRO 8 N 2.20 0.00 0.00 12.44 0.13 -1.88 -1.98 132.00 142.92 2b9k h PRO 8 Ca -0.13 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.91 2b9k h PRO 8 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2b9k h PRO 8 CO 0.26 0.27 -0.41 -0.91 -0.23 0.00 0.00 178.00 176.99 2b9k h ASN 9 N 0.00 0.00 -6.18 1.44 2.35 -1.94 -3.40 115.58 107.86 2b9k h ASN 9 Ca -0.00 0.00 -0.44 0.00 -0.55 0.00 0.00 56.30 55.31 2b9k h ASN 9 Cb 0.67 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.06 2b9k h ASN 9 CO 0.04 0.41 -0.83 0.61 -1.65 0.00 0.00 177.43 176.01 2b9k n GLY 10 N -0.11 -0.32 3.26 2.83 0.00 -1.20 -4.83 105.19 104.82 2b9k n GLY 10 Ca -0.01 0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.01 2.94 -4.69 1.61 5.15 -1.26 -4.93 115.26 111.07 2b9k n ASN 11 Ca -0.24 -2.71 -0.50 0.00 -0.60 0.00 0.00 54.58 50.53 2b9k n ASN 11 Cb 0.65 -1.39 -0.05 0.00 -0.53 0.00 0.00 39.78 38.46 2b9k n ASN 11 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2b9k n PHE 12 N 9.74 2.30 0.86 1.20 7.35 -1.26 -4.89 117.46 132.75 2b9k n PHE 12 Ca 0.48 0.06 0.09 0.00 -0.76 0.00 0.00 57.45 57.32 2b9k n PHE 12 Cb 0.43 -2.64 -0.06 0.00 0.35 0.00 0.00 39.48 37.55 2b9k n PHE 12 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2b9k n ALA 13 N 6.50 3.98 -0.04 3.13 0.00 -1.26 -5.02 120.51 127.79 2b9k n ALA 13 Ca 0.23 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2b9k n ALA 13 Cb 0.27 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.89 0.00 -3.60 0.00 0.00 -1.26 -4.67 120.51 110.09 2b9k n ALA 14 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.40 2b9k n ALA 14 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.24 -0.41 0.39 0.00 1.04 -1.26 -0.94 113.70 112.28 2b9k s SER 15 Ca 0.00 -0.31 -0.13 0.00 0.48 0.00 0.00 55.95 55.99 2b9k s SER 15 Cb 0.00 0.66 0.05 0.00 0.10 0.00 0.00 66.02 66.82 2b9k s SER 15 CO 0.00 -1.14 0.74 0.12 0.98 0.00 0.00 173.24 173.93 2b9k s PHE 16 N -3.84 0.32 -0.03 5.02 5.36 -0.12 -4.95 117.98 119.74 2b9k s PHE 16 Ca 0.06 -0.93 0.01 0.00 -0.96 0.00 0.00 56.93 55.11 2b9k s PHE 16 Cb -0.03 0.68 0.02 0.00 -0.34 0.00 0.00 43.02 43.35 2b9k s PHE 16 CO -0.03 -1.52 -0.03 0.08 -1.46 0.00 0.00 175.22 172.26 2b9k s VAL 17 N -2.32 0.40 -0.13 3.12 1.01 -1.26 -1.02 120.40 120.19 2b9k s VAL 17 Ca 0.19 -0.06 -0.20 0.00 0.00 0.00 0.00 61.98 61.91 2b9k s VAL 17 Cb -0.04 -0.44 0.05 0.00 0.00 0.00 0.00 36.38 35.95 2b9k s VAL 17 CO 0.14 0.19 0.50 -0.22 0.00 0.00 0.00 175.10 175.70 2b9k s LEU 18 N 0.84 0.09 -1.54 3.92 2.96 -0.69 -4.94 118.68 119.32 2b9k s LEU 18 Ca -0.10 0.77 -0.06 0.00 -0.22 0.00 0.00 54.13 54.52 2b9k s LEU 18 Cb -0.13 1.80 0.05 0.00 0.50 0.00 0.00 46.19 48.41 2b9k s LEU 18 CO -0.00 -0.32 0.44 -0.67 -1.32 0.00 0.00 176.35 174.48 2b9k n ASP 19 N 2.12 -0.92 -1.83 3.68 2.03 -1.26 -1.46 116.55 118.91 2b9k n ASP 19 Ca -0.16 -1.08 -0.20 0.00 0.52 0.00 0.00 54.79 53.88 2b9k n ASP 19 Cb 0.56 -2.60 -0.05 0.00 -0.72 0.00 0.00 41.12 38.31 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 -1.91 0.84 3.08 0.27 0.00 -1.26 -4.97 105.19 101.25 2b9k n GLY 20 Ca -0.19 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.84 0.75 0.31 2.61 2.01 -0.54 -5.15 115.64 112.79 2b9k s THR 21 Ca 0.00 -0.96 -0.21 0.00 0.31 0.00 0.00 61.69 60.83 2b9k s THR 21 Cb 0.00 -0.74 -0.09 0.00 0.01 0.00 0.00 72.50 71.68 2b9k s THR 21 CO 0.00 -0.19 0.83 -0.75 -0.69 0.00 0.00 174.62 173.82 2b9k s LYS 22 N -1.27 4.31 -0.01 4.92 2.47 -1.26 -1.70 119.74 127.20 2b9k s LYS 22 Ca -0.04 1.02 0.03 0.00 -1.56 0.00 0.00 55.97 55.41 2b9k s LYS 22 Cb -0.08 -2.66 -0.01 0.00 -1.46 0.00 0.00 37.83 33.63 2b9k s LYS 22 CO 0.01 0.24 -0.09 -1.58 0.16 0.00 0.00 175.35 174.09 2b9k s TRP 23 N -1.75 0.78 0.10 4.03 0.52 -0.19 -4.94 118.94 117.50 2b9k s TRP 23 Ca 0.50 -0.16 -0.18 0.00 0.02 0.00 0.00 56.10 56.29 2b9k s TRP 23 Cb -0.15 -0.50 0.04 0.00 -1.15 0.00 0.00 33.47 31.71 2b9k s TRP 23 CO 0.20 -0.01 0.43 -1.50 0.02 0.00 0.00 176.95 176.09 2b9k s ILE 24 N -0.23 0.06 0.83 2.03 2.07 0.61 -0.95 121.20 125.62 2b9k s ILE 24 Ca 0.03 -0.47 -0.14 0.00 -1.41 0.00 0.00 60.65 58.67 2b9k s ILE 24 Cb -0.04 -1.09 0.05 0.00 0.13 0.00 0.00 42.46 41.51 2b9k s ILE 24 CO -0.00 -0.26 0.85 0.33 -1.91 0.00 0.00 174.94 173.94 2b9k n PHE 25 N -0.02 0.09 0.11 3.50 7.35 -0.11 -1.66 117.46 126.73 2b9k n PHE 25 Ca -0.17 0.35 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 2b9k n PHE 25 Cb 0.63 -1.98 0.00 0.00 0.35 0.00 0.00 39.48 38.48 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 -2.34 0.00 -3.71 -4.13 0.00 -1.24 -4.70 118.16 102.04 2b9k n LYS 26 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.28 2b9k n LYS 26 Cb 0.51 -0.03 -0.08 0.00 0.00 0.00 0.00 35.03 35.43 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 -4.86 -0.29 0.06 3.14 0.01 -0.09 -5.01 113.70 106.66 2b9k s SER 27 Ca 0.00 0.21 -0.07 0.00 1.31 0.00 0.00 55.95 57.40 2b9k s SER 27 Cb 0.00 0.36 -0.01 0.00 0.21 0.00 0.00 66.02 66.59 2b9k s SER 27 CO 0.00 -0.49 0.14 -1.59 0.41 0.00 0.00 173.24 171.70 2b9k s LYS 28 N -1.36 0.70 0.14 12.44 -2.85 -1.26 -1.49 119.74 126.06 2b9k s LYS 28 Ca -0.13 -0.84 -0.17 0.00 -1.00 0.00 0.00 55.97 53.83 2b9k s LYS 28 Cb -0.04 0.28 0.04 0.00 -2.06 0.00 0.00 37.83 36.05 2b9k s LYS 28 CO 0.05 -0.19 0.46 1.52 0.10 0.00 0.00 175.35 177.28 2b9k s TYR 29 N -3.13 -0.25 -0.33 1.78 1.13 -0.13 -4.98 117.35 111.45 2b9k s TYR 29 Ca -0.01 -0.06 -0.17 0.00 -1.41 0.00 0.00 57.07 55.42 2b9k s TYR 29 Cb 0.02 0.33 -0.01 0.00 -1.10 0.00 0.00 41.96 41.20 2b9k s TYR 29 CO -0.07 -0.76 0.48 -0.47 -2.51 0.00 0.00 175.55 172.22 2b9k s TYR 30 N -3.81 3.20 -1.04 -3.49 5.04 -1.26 -0.90 117.35 115.09 2b9k s TYR 30 Ca 0.04 0.24 -0.19 0.00 -2.44 0.00 0.00 57.07 54.71 2b9k s TYR 30 Cb 0.01 -2.83 0.10 0.00 0.35 0.00 0.00 41.96 39.59 2b9k s TYR 30 CO -0.11 -0.46 1.35 0.34 -1.34 0.00 0.00 175.55 175.33 2b9k s ASP 31 N 1.72 6.67 0.36 4.32 2.15 0.20 -4.85 116.67 127.23 2b9k s ASP 31 Ca 0.18 -2.01 0.22 0.00 0.43 0.00 0.00 52.55 51.37 2b9k s ASP 31 Cb -0.16 -2.48 1.21 0.00 -0.30 0.00 0.00 42.92 41.20 2b9k s ASP 31 CO 0.12 -1.19 1.66 0.77 -0.17 0.00 0.00 175.17 176.37 2b9k h SER 32 N 8.80 0.00 0.34 -0.34 4.64 -1.95 0.13 113.55 125.17 2b9k h SER 32 Ca 0.23 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.52 2b9k h SER 32 Cb 0.98 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2b9k h SER 32 CO 1.28 0.00 -0.12 0.28 -0.87 0.00 0.00 176.83 177.40 2b9k h SER 33 N 0.00 0.00 0.00 4.97 0.02 -1.95 -3.30 113.55 113.29 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 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2b9k h SER 33 CO 0.00 0.12 -0.14 0.29 -1.14 0.00 0.00 176.83 175.96 2b9k n LYS 34 N -3.69 3.43 -2.55 3.45 5.02 -0.57 -5.06 118.16 118.20 2b9k n LYS 34 Ca -0.02 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.24 2b9k n LYS 34 Cb 0.23 -0.39 0.01 0.00 -0.02 0.00 0.00 35.03 34.87 2b9k n LYS 34 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2b9k n GLY 35 N 0.72 0.59 3.28 0.72 0.00 0.36 -5.07 105.19 105.80 2b9k n GLY 35 Ca 0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.05 0.39 0.46 1.61 1.13 -1.19 -4.83 117.35 111.86 2b9k s TYR 36 Ca 0.07 -0.77 -0.20 0.00 -1.41 0.00 0.00 57.07 54.75 2b9k s TYR 36 Cb -0.03 -0.11 -0.10 0.00 -1.10 0.00 0.00 41.96 40.62 2b9k s TYR 36 CO 0.12 -0.65 0.98 -1.58 -2.51 0.00 0.00 175.55 171.91 2b9k s TRP 37 N -3.95 3.24 0.03 -3.49 0.52 -0.75 -0.63 118.94 113.92 2b9k s TRP 37 Ca 0.15 1.58 -0.01 0.00 0.02 0.00 0.00 56.10 57.84 2b9k s TRP 37 Cb 0.04 -2.90 -0.02 0.00 -1.15 0.00 0.00 33.47 29.44 2b9k s TRP 37 CO -0.03 -0.33 -0.02 0.08 0.02 0.00 0.00 176.95 176.67 2b9k s VAL 38 N -2.19 0.14 0.09 4.03 1.01 -0.08 -1.54 120.40 121.86 2b9k s VAL 38 Ca 0.63 -1.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.19 2b9k s VAL 38 Cb -0.11 -0.62 0.08 0.00 0.00 0.00 0.00 36.38 35.73 2b9k s VAL 38 CO 0.17 -0.63 0.85 -0.83 0.00 0.00 0.00 175.10 174.66 2b9k s GLY 39 N -1.87 -0.39 -0.23 4.51 0.00 -0.07 -0.95 107.32 108.31 2b9k s GLY 39 Ca -0.09 0.58 -0.08 0.00 0.00 0.00 0.00 44.72 45.12 2b9k s GLY 39 CO -0.03 0.18 0.09 -0.42 0.00 0.00 0.00 173.10 172.91 2b9k s ILE 40 N -3.32 4.70 -0.06 0.90 -1.09 -0.55 -2.05 121.20 119.72 2b9k s ILE 40 Ca 0.07 -0.05 -0.07 0.00 -2.23 0.00 0.00 60.65 58.37 2b9k s ILE 40 Cb -0.01 -3.17 0.02 0.00 -1.58 0.00 0.00 42.46 37.71 2b9k s ILE 40 CO -0.05 0.37 0.19 -0.47 -1.23 0.00 0.00 174.94 173.74 2b9k s TYR 41 N 1.14 -0.16 -0.33 3.97 6.14 -0.97 -0.91 117.35 126.23 2b9k s TYR 41 Ca 0.05 0.38 0.07 0.00 0.64 0.00 0.00 57.07 58.21 2b9k s TYR 41 Cb -0.14 0.05 0.47 0.00 0.42 0.00 0.00 41.96 42.75 2b9k s TYR 41 CO 0.04 -0.15 1.39 -1.91 0.64 0.00 0.00 175.55 175.56 2b9k n GLU 42 N 2.62 2.69 0.00 4.97 2.13 -0.66 -0.16 120.64 132.23 2b9k n GLU 42 Ca -0.15 -3.65 0.00 0.00 0.66 0.00 0.00 57.16 54.02 2b9k n GLU 42 Cb 0.58 -2.06 0.00 0.00 0.27 0.00 0.00 31.44 30.23 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 -0.92 0.00 -1.61 6.31 3.14 -1.19 -0.28 118.33 123.78 2b9k n VAL 43 Ca 0.40 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.45 2b9k n VAL 43 Cb 0.91 -0.14 0.07 0.00 -1.06 0.00 0.00 33.84 33.62 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 -1.92 2.43 -0.20 1.45 -0.00 -1.26 -4.98 118.94 114.46 2b9k s TRP 44 Ca 0.00 1.57 0.16 0.00 -0.00 0.00 0.00 56.10 57.83 2b9k s TRP 44 Cb 0.00 -3.25 0.37 0.00 -0.00 0.00 0.00 33.47 30.59 2b9k s TRP 44 CO 0.00 -1.98 1.25 -3.47 -0.00 0.00 0.00 176.95 172.75 2b9k n ASP 45 N -2.61 -0.01 0.00 5.86 2.03 -1.26 -4.82 116.55 115.73 2b9k n ASP 45 Ca 0.11 -2.08 0.00 0.00 0.52 0.00 0.00 54.79 53.34 2b9k n ASP 45 Cb 0.52 0.09 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 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 -0.64 0.00 0.00 -0.67 1.74 -1.26 -5.11 116.66 110.73 2b9k n ARG 46 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2b9k n ARG 46 Cb 0.87 -0.08 0.00 0.00 -1.02 0.00 0.00 32.46 32.23 2b9k n ARG 46 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74