#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 2.01 0.29 0.00 -4.36 -1.26 -4.84 121.20 113.04 2b9k s ILE 2 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 60.65 60.49 2b9k s ILE 2 Cb 0.00 -2.60 -0.04 0.00 1.25 0.00 0.00 42.46 41.07 2b9k s ILE 2 CO 0.00 -0.00 0.02 -0.54 0.24 0.00 0.00 174.94 174.66 2b9k s LYS 3 N -3.89 2.26 -0.07 0.37 3.01 0.53 -4.98 119.74 116.98 2b9k s LYS 3 Ca 0.76 -1.50 0.03 0.00 -1.01 0.00 0.00 55.97 54.26 2b9k s LYS 3 Cb -0.32 -2.12 -0.02 0.00 -1.01 0.00 0.00 37.83 34.36 2b9k s LYS 3 CO 0.47 0.28 -0.16 -0.51 0.51 0.00 0.00 175.35 175.94 2b9k s LEU 4 N -3.71 2.63 0.02 3.17 1.43 -1.26 -1.70 118.68 119.26 2b9k s LEU 4 Ca 0.33 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 2b9k s LEU 4 Cb -0.05 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 2b9k s LEU 4 CO 0.20 0.29 -0.04 -0.69 0.23 0.00 0.00 176.35 176.35 2b9k s VAL 5 N -0.42 0.20 -0.05 -1.59 1.01 -0.89 -5.01 120.40 113.65 2b9k s VAL 5 Ca 0.05 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 2b9k s VAL 5 Cb -0.12 -0.30 0.04 0.00 0.00 0.00 0.00 36.38 36.00 2b9k s VAL 5 CO 0.02 -0.35 0.09 -1.10 0.00 0.00 0.00 175.10 173.76 2b9k s GLN 6 N -1.15 -0.00 -0.19 2.72 -0.21 -1.26 -1.52 119.66 118.06 2b9k s GLN 6 Ca -0.11 0.34 -0.29 0.00 0.02 0.00 0.00 55.36 55.33 2b9k s GLN 6 Cb -0.08 -0.29 0.11 0.00 1.00 0.00 0.00 33.01 33.76 2b9k s GLN 6 CO -0.00 -0.23 0.95 0.45 -2.12 0.00 0.00 175.29 174.34 2b9k s SER 7 N 1.54 -0.45 0.38 5.90 0.15 -0.42 -4.97 113.70 115.82 2b9k s SER 7 Ca -0.04 0.63 0.28 0.00 0.70 0.00 0.00 55.95 57.52 2b9k s SER 7 Cb -0.12 0.56 1.24 0.00 -1.71 0.00 0.00 66.02 65.98 2b9k s SER 7 CO -0.04 -0.32 1.83 1.55 1.20 0.00 0.00 173.24 177.46 2b9k h PRO 8 N 3.22 0.00 -0.68 5.44 0.13 -1.86 -0.91 132.00 137.33 2b9k h PRO 8 Ca -0.23 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.85 2b9k h PRO 8 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 2b9k h PRO 8 CO 0.25 0.00 0.23 -0.91 -0.23 0.00 0.00 178.00 177.34 2b9k h ASN 9 N 0.00 0.98 -3.43 1.44 2.35 -1.95 -3.42 115.58 111.54 2b9k h ASN 9 Ca 0.00 -0.20 -0.23 0.00 -0.55 0.00 0.00 56.30 55.32 2b9k h ASN 9 Cb 0.31 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 2b9k h ASN 9 CO 0.00 0.91 -0.28 0.61 -1.65 0.00 0.00 177.43 177.03 2b9k n GLY 10 N -0.76 -0.19 3.58 2.83 0.00 -1.21 -4.84 105.19 104.59 2b9k n GLY 10 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.02 5.32 -0.35 1.61 2.47 -1.26 -4.91 114.94 115.81 2b9k s ASN 11 Ca 0.00 1.14 -0.28 0.00 0.42 0.00 0.00 52.86 54.14 2b9k s ASN 11 Cb 0.00 -2.52 -0.03 0.00 -1.45 0.00 0.00 41.25 37.26 2b9k s ASN 11 CO 0.00 -2.19 1.92 0.12 -3.72 0.00 0.00 177.10 173.23 2b9k s PHE 12 N 8.91 1.64 -0.85 0.43 5.36 -1.26 -4.86 117.98 127.34 2b9k s PHE 12 Ca 0.85 0.68 0.25 0.00 -0.96 0.00 0.00 56.93 57.75 2b9k s PHE 12 Cb -0.21 -4.06 0.46 0.00 -0.34 0.00 0.00 43.02 38.87 2b9k s PHE 12 CO 0.29 -3.07 1.38 0.00 -1.46 0.00 0.00 175.22 172.37 2b9k n ALA 13 N 11.11 3.26 -0.00 11.12 0.00 -1.26 -4.99 120.51 139.74 2b9k n ALA 13 Ca 0.25 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2b9k n ALA 13 Cb 0.47 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -3.58 0.00 0.00 -1.26 -4.69 120.51 109.34 2b9k n ALA 14 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.41 2b9k n ALA 14 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.03 -0.34 0.32 0.00 1.04 -1.26 -0.96 113.70 112.47 2b9k s SER 15 Ca 0.00 -0.15 -0.16 0.00 0.48 0.00 0.00 55.95 56.12 2b9k s SER 15 Cb 0.00 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.62 2b9k s SER 15 CO 0.00 -0.80 0.69 0.12 0.98 0.00 0.00 173.24 174.23 2b9k s PHE 16 N -3.32 0.12 -0.04 5.02 5.36 -0.19 -4.95 117.98 119.97 2b9k s PHE 16 Ca 0.07 -0.63 0.01 0.00 -0.96 0.00 0.00 56.93 55.42 2b9k s PHE 16 Cb -0.01 0.61 0.02 0.00 -0.34 0.00 0.00 43.02 43.30 2b9k s PHE 16 CO -0.06 -1.32 -0.03 0.08 -1.46 0.00 0.00 175.22 172.43 2b9k s VAL 17 N -3.25 0.44 -0.15 3.12 1.01 -1.26 -0.85 120.40 119.46 2b9k s VAL 17 Ca 0.16 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 2b9k s VAL 17 Cb -0.04 -0.49 0.05 0.00 0.00 0.00 0.00 36.38 35.90 2b9k s VAL 17 CO 0.10 0.20 0.36 -0.22 0.00 0.00 0.00 175.10 175.54 2b9k s LEU 18 N 0.94 0.15 -1.42 3.92 1.98 -0.43 -4.91 118.68 118.92 2b9k s LEU 18 Ca -0.11 0.77 -0.04 0.00 -2.89 0.00 0.00 54.13 51.86 2b9k s LEU 18 Cb -0.14 1.17 0.00 0.00 0.66 0.00 0.00 46.19 47.88 2b9k s LEU 18 CO -0.00 -0.18 0.33 -0.67 -1.89 0.00 0.00 176.35 173.94 2b9k n ASP 19 N 4.05 -0.57 -1.52 3.68 2.03 -1.26 -1.90 116.55 121.06 2b9k n ASP 19 Ca -0.22 -1.12 -0.18 0.00 0.52 0.00 0.00 54.79 53.79 2b9k n ASP 19 Cb 0.55 -2.51 -0.06 0.00 -0.72 0.00 0.00 41.12 38.38 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 -2.16 1.35 3.17 0.27 0.00 -1.26 -4.97 105.19 101.59 2b9k n GLY 20 Ca -0.29 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.72 1.31 0.25 2.61 2.01 -0.80 -5.15 115.64 113.15 2b9k s THR 21 Ca 0.00 -0.89 -0.07 0.00 0.31 0.00 0.00 61.69 61.03 2b9k s THR 21 Cb 0.00 -1.13 -0.06 0.00 0.01 0.00 0.00 72.50 71.32 2b9k s THR 21 CO 0.00 0.22 0.54 -0.75 -0.69 0.00 0.00 174.62 173.94 2b9k s LYS 22 N -0.79 3.72 -0.00 4.92 2.20 -1.26 -1.31 119.74 127.22 2b9k s LYS 22 Ca 0.05 0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.81 2b9k s LYS 22 Cb -0.07 -2.66 -0.00 0.00 -1.51 0.00 0.00 37.83 33.59 2b9k s LYS 22 CO 0.00 0.28 -0.02 -1.58 -0.36 0.00 0.00 175.35 173.68 2b9k s TRP 23 N -1.92 0.14 0.10 4.03 0.52 -0.03 -4.96 118.94 116.82 2b9k s TRP 23 Ca 0.46 -0.04 -0.18 0.00 0.02 0.00 0.00 56.10 56.36 2b9k s TRP 23 Cb -0.11 -0.09 0.04 0.00 -1.15 0.00 0.00 33.47 32.16 2b9k s TRP 23 CO 0.25 -0.01 0.43 -1.50 0.02 0.00 0.00 176.95 176.14 2b9k s ILE 24 N -0.08 0.06 0.79 2.03 2.07 0.25 -1.03 121.20 125.29 2b9k s ILE 24 Ca 0.00 -0.48 -0.14 0.00 -1.41 0.00 0.00 60.65 58.62 2b9k s ILE 24 Cb -0.01 -1.09 0.04 0.00 0.13 0.00 0.00 42.46 41.53 2b9k s ILE 24 CO -0.00 -0.26 0.98 0.33 -1.91 0.00 0.00 174.94 174.08 2b9k n PHE 25 N -0.02 0.61 0.11 3.50 7.35 -0.14 -1.34 117.46 127.54 2b9k n PHE 25 Ca -0.17 0.38 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 2b9k n PHE 25 Cb 0.63 -2.05 0.00 0.00 0.35 0.00 0.00 39.48 38.41 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 -2.45 0.00 -3.65 -4.13 0.00 -1.25 -4.72 118.16 101.97 2b9k n LYS 26 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.28 2b9k n LYS 26 Cb 0.50 -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 -4.81 -0.42 0.10 3.14 0.01 -0.00 -5.02 113.70 106.70 2b9k s SER 27 Ca 0.00 0.44 -0.08 0.00 1.31 0.00 0.00 55.95 57.62 2b9k s SER 27 Cb 0.00 0.47 -0.01 0.00 0.21 0.00 0.00 66.02 66.70 2b9k s SER 27 CO 0.00 -0.50 0.19 -1.59 0.41 0.00 0.00 173.24 171.75 2b9k s LYS 28 N -1.13 0.88 0.18 12.44 -2.85 -1.26 -1.26 119.74 126.73 2b9k s LYS 28 Ca -0.11 -1.02 -0.16 0.00 -1.00 0.00 0.00 55.97 53.68 2b9k s LYS 28 Cb -0.03 0.34 0.02 0.00 -2.06 0.00 0.00 37.83 36.10 2b9k s LYS 28 CO 0.06 -0.28 0.47 1.52 0.10 0.00 0.00 175.35 177.22 2b9k s TYR 29 N -3.88 -0.04 -0.25 1.78 1.13 -0.06 -4.98 117.35 111.03 2b9k s TYR 29 Ca 0.07 -0.30 -0.14 0.00 -1.41 0.00 0.00 57.07 55.29 2b9k s TYR 29 Cb 0.05 0.30 -0.04 0.00 -1.10 0.00 0.00 41.96 41.17 2b9k s TYR 29 CO -0.09 -0.86 0.33 -0.47 -2.51 0.00 0.00 175.55 171.96 2b9k s TYR 30 N -3.88 3.28 -1.00 -3.49 5.04 -1.26 -0.76 117.35 115.28 2b9k s TYR 30 Ca 0.10 0.41 -0.17 0.00 -2.44 0.00 0.00 57.07 54.97 2b9k s TYR 30 Cb 0.00 -2.50 0.15 0.00 0.35 0.00 0.00 41.96 39.96 2b9k s TYR 30 CO -0.04 -0.14 1.17 0.34 -1.34 0.00 0.00 175.55 175.55 2b9k s ASP 31 N 1.44 6.78 0.45 4.32 2.15 0.13 -4.88 116.67 127.07 2b9k s ASP 31 Ca 0.14 -2.41 0.24 0.00 0.43 0.00 0.00 52.55 50.96 2b9k s ASP 31 Cb -0.15 -2.38 1.33 0.00 -0.30 0.00 0.00 42.92 41.42 2b9k s ASP 31 CO 0.09 -0.91 1.72 0.28 -0.17 0.00 0.00 175.17 176.18 2b9k h SER 32 N 8.22 0.00 0.33 -0.34 0.02 -1.96 0.11 113.55 119.93 2b9k h SER 32 Ca 0.20 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 2b9k h SER 32 Cb 0.98 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.52 2b9k h SER 32 CO 1.11 0.00 -0.14 0.28 -1.14 0.00 0.00 176.83 176.94 2b9k h SER 33 N 0.00 0.00 0.00 3.07 0.02 -1.94 -3.33 113.55 111.37 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 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2b9k h SER 33 CO 0.00 0.14 -0.05 0.29 -1.14 0.00 0.00 176.83 176.07 2b9k n LYS 34 N -3.78 2.30 -2.25 3.45 4.76 -0.65 -5.07 118.16 116.93 2b9k n LYS 34 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2b9k n LYS 34 Cb 0.24 -0.22 0.00 0.00 -1.84 0.00 0.00 35.03 33.21 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 0.34 0.80 3.25 0.72 0.00 0.28 -5.08 105.19 105.50 2b9k n GLY 35 Ca 0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.94 0.37 0.54 1.61 -0.85 -1.22 -4.77 117.35 110.08 2b9k s TYR 36 Ca 0.00 -0.77 -0.17 0.00 -0.52 0.00 0.00 57.07 55.61 2b9k s TYR 36 Cb 0.00 -0.13 -0.06 0.00 0.38 0.00 0.00 41.96 42.15 2b9k s TYR 36 CO 0.00 -0.61 1.03 -1.58 -1.52 0.00 0.00 175.55 172.87 2b9k s TRP 37 N -3.94 3.11 0.04 -3.49 0.52 -0.35 -0.69 118.94 114.14 2b9k s TRP 37 Ca 0.13 1.52 0.02 0.00 0.02 0.00 0.00 56.10 57.79 2b9k s TRP 37 Cb 0.05 -2.97 -0.03 0.00 -1.15 0.00 0.00 33.47 29.37 2b9k s TRP 37 CO -0.04 -0.83 -0.07 0.08 0.02 0.00 0.00 176.95 176.11 2b9k s VAL 38 N -2.36 0.45 0.20 4.03 1.01 0.06 -1.30 120.40 122.49 2b9k s VAL 38 Ca 0.63 -1.16 -0.24 0.00 0.00 0.00 0.00 61.98 61.22 2b9k s VAL 38 Cb -0.14 -0.68 0.05 0.00 0.00 0.00 0.00 36.38 35.61 2b9k s VAL 38 CO 0.30 -0.48 0.86 -0.83 0.00 0.00 0.00 175.10 174.96 2b9k s GLY 39 N -1.75 -0.19 -0.20 4.51 0.00 -0.57 -0.89 107.32 108.23 2b9k s GLY 39 Ca -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 44.72 44.61 2b9k s GLY 39 CO -0.01 -0.02 -0.12 -0.42 0.00 0.00 0.00 173.10 172.53 2b9k s ILE 40 N -3.53 2.75 0.00 0.90 1.01 -0.39 -2.10 121.20 119.84 2b9k s ILE 40 Ca 0.11 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 59.99 2b9k s ILE 40 Cb -0.03 -2.21 -0.00 0.00 0.01 0.00 0.00 42.46 40.23 2b9k s ILE 40 CO 0.03 0.48 0.12 -0.31 0.00 0.00 0.00 174.94 175.27 2b9k s TYR 41 N 1.35 0.06 -0.23 3.97 2.02 -0.69 -0.82 117.35 123.01 2b9k s TYR 41 Ca 0.05 -0.16 0.10 0.00 -0.37 0.00 0.00 57.07 56.69 2b9k s TYR 41 Cb -0.14 -0.06 0.43 0.00 -0.40 0.00 0.00 41.96 41.80 2b9k s TYR 41 CO -0.07 -0.28 1.24 -1.91 -1.57 0.00 0.00 175.55 172.96 2b9k n GLU 42 N 1.48 1.82 0.00 -0.62 2.13 -0.45 -0.34 120.64 124.66 2b9k n GLU 42 Ca -0.23 -3.39 0.00 0.00 0.66 0.00 0.00 57.16 54.21 2b9k n GLU 42 Cb 0.56 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.56 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 -1.08 0.00 -2.07 6.31 3.14 -1.19 -0.59 118.33 122.86 2b9k n VAL 43 Ca 0.23 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.24 2b9k n VAL 43 Cb 0.75 -0.10 0.01 0.00 -1.06 0.00 0.00 33.84 33.44 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 -1.73 2.60 -0.11 1.45 -0.00 -1.26 -4.95 118.94 114.93 2b9k s TRP 44 Ca 0.00 1.48 0.16 0.00 -0.00 0.00 0.00 56.10 57.74 2b9k s TRP 44 Cb 0.00 -3.52 0.32 0.00 -0.00 0.00 0.00 33.47 30.27 2b9k s TRP 44 CO 0.00 -2.05 1.17 -3.47 -0.00 0.00 0.00 176.95 172.60 2b9k n ASP 45 N -0.90 0.11 -4.26 5.86 2.03 -1.26 -4.88 116.55 113.26 2b9k n ASP 45 Ca 0.10 -2.04 -0.35 0.00 0.52 0.00 0.00 54.79 53.02 2b9k n ASP 45 Cb 0.48 0.01 -0.05 0.00 -0.72 0.00 0.00 41.12 40.83 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 -0.21 -2.33 0.00 -0.67 1.85 -1.26 -5.12 116.66 108.92 2b9k n ARG 46 Ca -0.08 0.29 0.00 0.00 -1.00 0.00 0.00 57.85 57.06 2b9k n ARG 46 Cb 0.90 -4.68 0.00 0.00 -1.05 0.00 0.00 32.46 27.63 2b9k n ARG 46 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98