#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 2.21 0.34 0.00 -5.25 -1.26 -4.85 121.20 112.39 2b9k s ILE 2 Ca 0.00 0.07 0.09 0.00 -0.99 0.00 0.00 60.65 59.82 2b9k s ILE 2 Cb 0.00 -2.20 -0.07 0.00 2.95 0.00 0.00 42.46 43.14 2b9k s ILE 2 CO 0.00 -0.09 -0.08 -0.54 -1.79 0.00 0.00 174.94 172.43 2b9k s LYS 3 N -4.64 1.81 -0.02 0.37 1.02 0.82 -4.97 119.74 114.12 2b9k s LYS 3 Ca 0.66 -1.94 0.05 0.00 0.02 0.00 0.00 55.97 54.76 2b9k s LYS 3 Cb -0.22 -1.65 -0.01 0.00 -0.52 0.00 0.00 37.83 35.43 2b9k s LYS 3 CO 0.60 0.12 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.48 2b9k s LEU 4 N -3.60 1.97 0.01 3.17 1.43 -1.26 -1.56 118.68 118.83 2b9k s LEU 4 Ca 0.32 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 2b9k s LEU 4 Cb 0.03 -0.87 -0.01 0.00 0.03 0.00 0.00 46.19 45.36 2b9k s LEU 4 CO 0.16 0.17 -0.01 -0.69 0.23 0.00 0.00 176.35 176.22 2b9k s VAL 5 N -0.18 0.09 -0.14 -1.59 1.01 -0.93 -5.00 120.40 113.65 2b9k s VAL 5 Ca 0.02 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 2b9k s VAL 5 Cb -0.08 -0.23 0.07 0.00 0.00 0.00 0.00 36.38 36.13 2b9k s VAL 5 CO 0.00 -0.40 0.19 -1.10 0.00 0.00 0.00 175.10 173.80 2b9k s GLN 6 N -1.18 0.11 -0.03 2.72 -0.21 -1.26 -1.71 119.66 118.10 2b9k s GLN 6 Ca -0.13 0.39 -0.21 0.00 0.02 0.00 0.00 55.36 55.43 2b9k s GLN 6 Cb -0.08 -0.73 0.04 0.00 1.00 0.00 0.00 33.01 33.24 2b9k s GLN 6 CO -0.01 -0.47 0.46 -1.12 -2.12 0.00 0.00 175.29 172.03 2b9k s SER 7 N 2.31 -0.38 0.41 5.90 0.01 -0.55 -5.00 113.70 116.40 2b9k s SER 7 Ca 0.04 0.36 0.19 0.00 1.31 0.00 0.00 55.95 57.86 2b9k s SER 7 Cb -0.14 0.43 0.90 0.00 0.21 0.00 0.00 66.02 67.42 2b9k s SER 7 CO -0.09 -0.50 1.86 1.55 0.41 0.00 0.00 173.24 176.47 2b9k h PRO 8 N 3.60 0.00 0.00 12.44 0.13 -1.88 -0.83 132.00 145.46 2b9k h PRO 8 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 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 0.30 -0.17 -2.95 -0.23 0.00 0.00 178.00 175.35 2b9k h ASN 9 N 0.00 0.00 -6.57 1.44 -1.07 -1.96 -3.39 115.58 104.03 2b9k h ASN 9 Ca -0.00 -0.01 -0.52 0.00 0.07 0.00 0.00 56.30 55.84 2b9k h ASN 9 Cb 0.67 0.00 -0.11 0.00 -2.07 0.00 0.00 38.32 36.81 2b9k h ASN 9 CO 0.04 0.00 -0.86 0.61 0.07 0.00 0.00 177.43 177.29 2b9k n GLY 10 N 1.15 -0.32 3.58 9.14 0.00 -1.22 -4.80 105.19 112.71 2b9k n GLY 10 Ca 0.04 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 2b9k n GLY 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2b9k s ASN 11 N -3.92 4.27 0.01 1.61 2.47 -1.26 -4.92 114.94 113.20 2b9k s ASN 11 Ca 0.31 -1.22 -0.32 0.00 0.42 0.00 0.00 52.86 52.05 2b9k s ASN 11 Cb -0.16 -2.59 -0.11 0.00 -1.45 0.00 0.00 41.25 36.94 2b9k s ASN 11 CO 0.90 -3.85 1.90 0.33 -3.72 0.00 0.00 177.10 172.66 2b9k n PHE 12 N 16.93 2.46 0.86 0.43 7.35 -1.26 -4.90 117.46 139.33 2b9k n PHE 12 Ca 0.43 -0.18 0.09 0.00 -0.76 0.00 0.00 57.45 57.03 2b9k n PHE 12 Cb 0.47 -2.73 -0.11 0.00 0.35 0.00 0.00 39.48 37.46 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 6.68 4.41 0.00 3.13 0.00 -1.26 -5.02 120.51 128.45 2b9k n ALA 13 Ca 0.20 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2b9k n ALA 13 Cb 0.36 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.45 0.00 -3.59 0.00 0.00 -1.26 -4.71 120.51 109.49 2b9k n ALA 14 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.41 2b9k n ALA 14 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.31 0.37 0.00 1.04 -1.26 -0.79 113.70 112.75 2b9k s SER 15 Ca 0.00 -0.15 -0.14 0.00 0.48 0.00 0.00 55.95 56.13 2b9k s SER 15 Cb 0.00 0.44 0.05 0.00 0.10 0.00 0.00 66.02 66.61 2b9k s SER 15 CO 0.00 -0.75 0.75 0.12 0.98 0.00 0.00 173.24 174.33 2b9k s PHE 16 N -3.23 0.21 -0.06 5.02 5.36 -0.17 -4.95 117.98 120.17 2b9k s PHE 16 Ca 0.07 -0.82 -0.05 0.00 -0.96 0.00 0.00 56.93 55.18 2b9k s PHE 16 Cb -0.01 0.72 0.02 0.00 -0.34 0.00 0.00 43.02 43.40 2b9k s PHE 16 CO -0.05 -1.49 0.15 0.54 -1.46 0.00 0.00 175.22 172.90 2b9k s VAL 17 N -2.52 -0.01 -0.15 3.12 0.11 -1.26 -0.91 120.40 118.78 2b9k s VAL 17 Ca 0.17 0.04 -0.07 0.00 -2.93 0.00 0.00 61.98 59.19 2b9k s VAL 17 Cb -0.05 -0.22 0.06 0.00 -1.53 0.00 0.00 36.38 34.64 2b9k s VAL 17 CO 0.12 0.02 0.34 -0.22 -3.33 0.00 0.00 175.10 172.03 2b9k s LEU 18 N 0.33 -0.04 -1.57 2.54 2.96 -0.15 -4.94 118.68 117.80 2b9k s LEU 18 Ca -0.02 0.74 -0.07 0.00 -0.22 0.00 0.00 54.13 54.56 2b9k s LEU 18 Cb -0.03 1.06 0.07 0.00 0.50 0.00 0.00 46.19 47.78 2b9k s LEU 18 CO -0.01 -0.20 0.43 -0.67 -1.32 0.00 0.00 176.35 174.58 2b9k n ASP 19 N 4.57 -0.93 -0.16 3.68 2.03 -1.26 -1.09 116.55 123.39 2b9k n ASP 19 Ca -0.19 -1.10 -0.02 0.00 0.52 0.00 0.00 54.79 53.99 2b9k n ASP 19 Cb 0.53 -2.45 -0.01 0.00 -0.72 0.00 0.00 41.12 38.47 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 -1.89 0.54 3.26 0.27 0.00 -1.26 -5.01 105.19 101.10 2b9k n GLY 20 Ca -0.17 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.93 2.27 0.35 2.61 2.01 -0.25 -5.13 115.64 115.56 2b9k s THR 21 Ca 0.00 -0.95 -0.13 0.00 0.31 0.00 0.00 61.69 60.92 2b9k s THR 21 Cb 0.00 -1.88 -0.08 0.00 0.01 0.00 0.00 72.50 70.55 2b9k s THR 21 CO 0.00 0.56 0.73 -0.75 -0.69 0.00 0.00 174.62 174.47 2b9k s LYS 22 N 0.24 3.90 -0.00 4.92 2.20 -1.26 -0.98 119.74 128.75 2b9k s LYS 22 Ca -0.14 0.56 0.01 0.00 -0.36 0.00 0.00 55.97 56.04 2b9k s LYS 22 Cb -0.17 -2.43 -0.00 0.00 -1.51 0.00 0.00 37.83 33.72 2b9k s LYS 22 CO 0.07 0.10 -0.04 -1.58 -0.36 0.00 0.00 175.35 173.54 2b9k s TRP 23 N -2.12 0.40 0.09 4.03 0.52 -0.09 -4.96 118.94 116.82 2b9k s TRP 23 Ca 0.52 -0.08 -0.17 0.00 0.02 0.00 0.00 56.10 56.40 2b9k s TRP 23 Cb -0.10 -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 0.40 -1.50 0.02 0.00 0.00 176.95 176.09 2b9k s ILE 24 N -0.13 0.07 0.79 2.03 2.07 0.85 -1.00 121.20 125.88 2b9k s ILE 24 Ca 0.01 -0.54 -0.15 0.00 -1.41 0.00 0.00 60.65 58.57 2b9k s ILE 24 Cb -0.02 -1.08 0.01 0.00 0.13 0.00 0.00 42.46 41.50 2b9k s ILE 24 CO -0.00 -0.30 0.76 0.33 -1.91 0.00 0.00 174.94 173.82 2b9k n PHE 25 N 0.08 -0.11 0.07 3.50 7.35 0.03 -1.74 117.46 126.64 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 0.62 -1.97 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 -1.77 0.00 -3.69 -4.13 0.00 -1.24 -4.70 118.16 102.63 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 -0.04 -0.08 0.00 0.00 0.00 0.00 35.03 35.42 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 -4.68 -0.30 0.04 3.14 0.01 -0.17 -5.01 113.70 106.73 2b9k s SER 27 Ca 0.00 0.19 -0.08 0.00 1.31 0.00 0.00 55.95 57.37 2b9k s SER 27 Cb 0.00 0.38 -0.00 0.00 0.21 0.00 0.00 66.02 66.61 2b9k s SER 27 CO 0.00 -0.53 0.16 -1.59 0.41 0.00 0.00 173.24 171.69 2b9k s LYS 28 N -1.55 0.65 0.08 12.44 -2.85 -1.26 -1.38 119.74 125.87 2b9k s LYS 28 Ca -0.11 -0.68 -0.18 0.00 -1.00 0.00 0.00 55.97 53.99 2b9k s LYS 28 Cb -0.03 0.27 0.04 0.00 -2.06 0.00 0.00 37.83 36.04 2b9k s LYS 28 CO 0.04 -0.18 0.43 1.52 0.10 0.00 0.00 175.35 177.26 2b9k s TYR 29 N -2.60 -0.27 -0.25 1.78 1.13 -0.24 -4.98 117.35 111.91 2b9k s TYR 29 Ca -0.05 0.14 -0.20 0.00 -1.41 0.00 0.00 57.07 55.55 2b9k s TYR 29 Cb -0.01 0.26 -0.02 0.00 -1.10 0.00 0.00 41.96 41.09 2b9k s TYR 29 CO -0.04 -0.64 0.60 -0.47 -2.51 0.00 0.00 175.55 172.49 2b9k s TYR 30 N -2.99 3.29 -1.24 -3.49 5.04 -1.26 -0.87 117.35 115.82 2b9k s TYR 30 Ca -0.02 0.79 -0.13 0.00 -2.44 0.00 0.00 57.07 55.27 2b9k s TYR 30 Cb 0.00 -2.81 0.16 0.00 0.35 0.00 0.00 41.96 39.67 2b9k s TYR 30 CO -0.06 -0.30 1.60 -3.47 -1.34 0.00 0.00 175.55 171.99 2b9k n ASP 31 N 5.59 5.13 -0.07 4.32 2.03 0.16 -4.85 116.55 128.86 2b9k n ASP 31 Ca -0.02 -3.01 0.25 0.00 0.52 0.00 0.00 54.79 52.54 2b9k n ASP 31 Cb 0.49 -1.56 0.72 0.00 -0.72 0.00 0.00 41.12 40.05 2b9k n ASP 31 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2b9k h SER 32 N 6.75 0.00 0.53 1.67 0.02 -1.95 0.12 113.55 120.70 2b9k h SER 32 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 2b9k h SER 32 Cb 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2b9k h SER 32 CO 1.39 0.00 0.00 0.28 -1.14 0.00 0.00 176.83 177.36 2b9k h SER 33 N 0.00 0.00 0.00 3.07 0.02 -1.95 -3.21 113.55 111.49 2b9k h SER 33 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2b9k h SER 33 Cb 1.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.97 2b9k h SER 33 CO -0.00 0.00 -0.49 0.29 -1.14 0.00 0.00 176.83 175.49 2b9k n LYS 34 N -2.71 2.72 -1.71 3.45 4.76 -0.21 -5.07 118.16 119.39 2b9k n LYS 34 Ca -0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2b9k n LYS 34 Cb 0.18 -0.70 0.00 0.00 -1.84 0.00 0.00 35.03 32.68 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 1.39 0.94 3.32 0.72 0.00 0.26 -5.09 105.19 106.74 2b9k n GLY 35 Ca 0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.56 0.24 0.57 1.61 -0.85 -1.23 -4.82 117.35 110.31 2b9k s TYR 36 Ca 0.00 -0.62 -0.16 0.00 -0.52 0.00 0.00 57.07 55.77 2b9k s TYR 36 Cb 0.00 0.01 -0.05 0.00 0.38 0.00 0.00 41.96 42.30 2b9k s TYR 36 CO 0.00 -0.69 1.04 -1.58 -1.52 0.00 0.00 175.55 172.80 2b9k s TRP 37 N -3.92 3.10 0.04 -3.49 0.52 -0.32 -0.67 118.94 114.22 2b9k s TRP 37 Ca 0.12 1.50 0.01 0.00 0.02 0.00 0.00 56.10 57.75 2b9k s TRP 37 Cb 0.03 -2.96 -0.03 0.00 -1.15 0.00 0.00 33.47 29.37 2b9k s TRP 37 CO -0.04 -0.91 -0.05 0.08 0.02 0.00 0.00 176.95 176.05 2b9k s VAL 38 N -2.47 0.35 0.14 4.03 1.01 -0.05 -1.48 120.40 121.93 2b9k s VAL 38 Ca 0.63 -1.28 -0.24 0.00 0.00 0.00 0.00 61.98 61.08 2b9k s VAL 38 Cb -0.15 -0.81 0.07 0.00 0.00 0.00 0.00 36.38 35.49 2b9k s VAL 38 CO 0.35 -0.61 0.69 -0.83 0.00 0.00 0.00 175.10 174.69 2b9k s GLY 39 N -2.00 -0.52 -0.23 4.51 0.00 -0.69 -1.08 107.32 107.30 2b9k s GLY 39 Ca -0.06 0.51 -0.08 0.00 0.00 0.00 0.00 44.72 45.09 2b9k s GLY 39 CO -0.03 0.17 0.09 -0.42 0.00 0.00 0.00 173.10 172.91 2b9k s ILE 40 N -3.62 4.75 -0.10 0.90 1.01 -0.48 -2.20 121.20 121.46 2b9k s ILE 40 Ca 0.03 -0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.59 2b9k s ILE 40 Cb -0.01 -3.20 0.04 0.00 0.01 0.00 0.00 42.46 39.30 2b9k s ILE 40 CO -0.10 0.37 0.24 -0.47 0.00 0.00 0.00 174.94 174.98 2b9k s TYR 41 N 1.11 -0.31 -0.55 3.97 6.14 -0.60 -1.00 117.35 126.12 2b9k s TYR 41 Ca 0.05 0.75 0.01 0.00 0.64 0.00 0.00 57.07 58.52 2b9k s TYR 41 Cb -0.14 0.05 0.50 0.00 0.42 0.00 0.00 41.96 42.79 2b9k s TYR 41 CO 0.04 -0.21 1.86 -1.91 0.64 0.00 0.00 175.55 175.97 2b9k n GLU 42 N 4.03 2.65 0.00 4.97 2.13 -0.71 -0.12 120.64 133.58 2b9k n GLU 42 Ca -0.23 -3.34 0.00 0.00 0.66 0.00 0.00 57.16 54.25 2b9k n GLU 42 Cb 0.54 -2.23 0.00 0.00 0.27 0.00 0.00 31.44 30.02 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 -0.96 0.00 -2.06 6.31 3.14 -1.20 -0.10 118.33 123.46 2b9k n VAL 43 Ca 0.58 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.57 2b9k n VAL 43 Cb 0.94 -0.15 0.01 0.00 -1.06 0.00 0.00 33.84 33.57 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 -1.98 2.70 -0.30 1.45 -0.00 -1.26 -4.95 118.94 114.60 2b9k s TRP 44 Ca 0.00 1.45 0.19 0.00 -0.00 0.00 0.00 56.10 57.74 2b9k s TRP 44 Cb 0.00 -3.59 0.47 0.00 -0.00 0.00 0.00 33.47 30.35 2b9k s TRP 44 CO 0.00 -2.07 1.16 -3.47 -0.00 0.00 0.00 176.95 172.57 2b9k n ASP 45 N -0.41 0.76 -2.75 5.86 2.03 -1.26 -4.82 116.55 115.95 2b9k n ASP 45 Ca 0.07 -2.27 -0.11 0.00 0.52 0.00 0.00 54.79 53.00 2b9k n ASP 45 Cb 0.46 -0.18 -0.01 0.00 -0.72 0.00 0.00 41.12 40.67 2b9k n ASP 45 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2b9k n ARG 46 N -0.61 -2.65 0.00 -0.67 1.85 -1.26 -5.17 116.66 108.15 2b9k n ARG 46 Ca 0.03 0.31 0.00 0.00 -1.00 0.00 0.00 57.85 57.19 2b9k n ARG 46 Cb 0.82 -4.89 0.00 0.00 -1.05 0.00 0.00 32.46 27.34 2b9k n ARG 46 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79