#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 2.26 -3.98 0.00 -5.35 -1.26 -4.89 119.36 106.13 2b9k n ILE 2 Ca 0.00 -0.24 -0.22 0.00 -0.27 0.00 0.00 62.75 62.01 2b9k n ILE 2 Cb 0.00 -1.19 -0.05 0.00 -1.74 0.00 0.00 39.64 36.66 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 -3.96 2.52 -0.03 6.28 1.02 0.50 -4.99 119.74 121.09 2b9k s LYS 3 Ca 0.74 -1.44 0.06 0.00 0.02 0.00 0.00 55.97 55.35 2b9k s LYS 3 Cb -0.30 -2.30 -0.01 0.00 -0.52 0.00 0.00 37.83 34.69 2b9k s LYS 3 CO 0.50 0.11 -0.21 -0.51 -0.92 0.00 0.00 175.35 174.32 2b9k s LEU 4 N -3.91 2.03 0.02 3.17 1.43 -1.26 -1.61 118.68 118.56 2b9k s LEU 4 Ca 0.39 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 53.08 2b9k s LEU 4 Cb -0.04 -1.13 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 2b9k s LEU 4 CO 0.24 0.25 -0.01 -0.69 0.23 0.00 0.00 176.35 176.37 2b9k s VAL 5 N -0.39 0.12 -0.18 -1.59 1.01 -0.82 -4.98 120.40 113.56 2b9k s VAL 5 Ca 0.05 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 2b9k s VAL 5 Cb -0.09 -0.42 0.08 0.00 0.00 0.00 0.00 36.38 35.95 2b9k s VAL 5 CO 0.00 -0.54 0.39 0.00 0.00 0.00 0.00 175.10 174.95 2b9k s GLN 6 N -1.73 0.30 -0.00 2.72 0.00 -1.26 -1.07 119.66 118.62 2b9k s GLN 6 Ca -0.13 0.93 -0.21 0.00 -0.00 0.00 0.00 55.36 55.95 2b9k s GLN 6 Cb -0.08 0.19 0.04 0.00 0.00 0.00 0.00 33.01 33.17 2b9k s GLN 6 CO -0.02 -0.24 0.47 -1.12 0.00 0.00 0.00 175.29 174.38 2b9k s SER 7 N 2.32 -0.38 0.47 12.60 0.01 -0.56 -4.99 113.70 123.17 2b9k s SER 7 Ca -0.03 0.26 0.24 0.00 1.31 0.00 0.00 55.95 57.74 2b9k s SER 7 Cb -0.11 0.43 1.16 0.00 0.21 0.00 0.00 66.02 67.70 2b9k s SER 7 CO -0.12 -0.58 1.95 1.55 0.41 0.00 0.00 173.24 176.45 2b9k h PRO 8 N 3.29 0.00 0.00 12.44 0.13 -1.89 -1.45 132.00 144.52 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 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2b9k h PRO 8 CO 0.41 0.20 -0.64 -2.95 -0.23 0.00 0.00 178.00 174.78 2b9k h ASN 9 N 0.00 0.00 -5.42 1.44 7.08 -1.94 -3.39 115.58 113.35 2b9k h ASN 9 Ca -0.00 -0.17 -0.40 0.00 -3.08 0.00 0.00 56.30 52.65 2b9k h ASN 9 Cb 0.54 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 36.72 2b9k h ASN 9 CO 0.03 0.08 -0.60 0.61 -2.08 0.00 0.00 177.43 175.47 2b9k n GLY 10 N 1.30 -0.49 3.53 9.14 0.00 -1.20 -4.79 105.19 112.68 2b9k n GLY 10 Ca 0.03 0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.40 1.52 -4.64 1.61 5.15 -1.26 -4.90 115.26 110.33 2b9k n ASN 11 Ca -0.02 -0.39 -0.43 0.00 -0.60 0.00 0.00 54.58 53.14 2b9k n ASN 11 Cb 0.55 -1.35 -0.02 0.00 -0.53 0.00 0.00 39.78 38.43 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 11.01 2.78 -0.85 1.20 5.36 -1.26 -4.92 117.98 131.31 2b9k s PHE 12 Ca 1.10 0.96 0.22 0.00 -0.96 0.00 0.00 56.93 58.26 2b9k s PHE 12 Cb -0.52 -3.70 -0.00 0.00 -0.34 0.00 0.00 43.02 38.45 2b9k s PHE 12 CO 0.33 -1.65 1.02 0.00 -1.46 0.00 0.00 175.22 173.46 2b9k n ALA 13 N 7.12 4.05 0.00 11.12 0.00 -1.26 -5.01 120.51 136.54 2b9k n ALA 13 Ca 0.14 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2b9k n ALA 13 Cb 0.46 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.62 0.00 -3.57 0.00 0.00 -1.26 -4.71 120.51 109.35 2b9k n ALA 14 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.40 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 -0.32 0.38 0.00 1.04 -1.26 -0.74 113.70 112.80 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 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.60 2b9k s SER 15 CO 0.00 -0.73 0.78 0.12 0.98 0.00 0.00 173.24 174.40 2b9k s PHE 16 N -3.21 0.13 -0.04 5.02 5.36 -0.21 -4.95 117.98 120.08 2b9k s PHE 16 Ca 0.07 -0.80 0.01 0.00 -0.96 0.00 0.00 56.93 55.25 2b9k s PHE 16 Cb -0.01 0.82 0.02 0.00 -0.34 0.00 0.00 43.02 43.51 2b9k s PHE 16 CO -0.06 -1.56 -0.03 0.08 -1.46 0.00 0.00 175.22 172.19 2b9k s VAL 17 N -2.35 0.40 -0.16 3.12 1.01 -1.26 -0.80 120.40 120.35 2b9k s VAL 17 Ca 0.16 -0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 2b9k s VAL 17 Cb -0.05 -0.45 0.04 0.00 0.00 0.00 0.00 36.38 35.92 2b9k s VAL 17 CO 0.12 0.19 0.43 -0.22 0.00 0.00 0.00 175.10 175.62 2b9k s LEU 18 N 0.94 0.36 -1.42 3.92 2.96 -0.43 -4.95 118.68 120.06 2b9k s LEU 18 Ca -0.11 0.87 -0.00 0.00 -0.22 0.00 0.00 54.13 54.66 2b9k s LEU 18 Cb -0.14 1.48 0.00 0.00 0.50 0.00 0.00 46.19 48.02 2b9k s LEU 18 CO -0.00 -0.15 0.36 -0.67 -1.32 0.00 0.00 176.35 174.57 2b9k n ASP 19 N 2.85 -0.19 -1.65 3.68 2.03 -1.26 -1.80 116.55 120.21 2b9k n ASP 19 Ca -0.13 -1.05 -0.19 0.00 0.52 0.00 0.00 54.79 53.94 2b9k n ASP 19 Cb 0.57 -2.84 -0.06 0.00 -0.72 0.00 0.00 41.12 38.08 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 -2.07 1.09 3.03 0.27 0.00 -1.26 -4.96 105.19 101.29 2b9k n GLY 20 Ca -0.31 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.77 0.59 0.27 2.61 2.01 -0.75 -5.15 115.64 112.46 2b9k s THR 21 Ca 0.00 -0.64 -0.13 0.00 0.31 0.00 0.00 61.69 61.23 2b9k s THR 21 Cb 0.00 -0.56 -0.08 0.00 0.01 0.00 0.00 72.50 71.87 2b9k s THR 21 CO 0.00 -0.06 0.64 -0.75 -0.69 0.00 0.00 174.62 173.77 2b9k s LYS 22 N -0.77 3.91 0.00 4.92 2.20 -1.26 -1.32 119.74 127.42 2b9k s LYS 22 Ca -0.02 0.49 0.02 0.00 -0.36 0.00 0.00 55.97 56.10 2b9k s LYS 22 Cb -0.06 -2.55 -0.01 0.00 -1.51 0.00 0.00 37.83 33.70 2b9k s LYS 22 CO 0.00 0.24 -0.07 -1.58 -0.36 0.00 0.00 175.35 173.59 2b9k s TRP 23 N -1.88 0.58 0.07 4.03 0.52 0.02 -4.94 118.94 117.33 2b9k s TRP 23 Ca 0.50 -0.17 -0.16 0.00 0.02 0.00 0.00 56.10 56.29 2b9k s TRP 23 Cb -0.11 -0.36 0.03 0.00 -1.15 0.00 0.00 33.47 31.88 2b9k s TRP 23 CO 0.19 -0.02 0.37 -1.50 0.02 0.00 0.00 176.95 176.01 2b9k s ILE 24 N -0.36 0.07 0.74 2.03 2.07 0.55 -1.05 121.20 125.26 2b9k s ILE 24 Ca 0.00 -0.59 -0.15 0.00 -1.41 0.00 0.00 60.65 58.50 2b9k s ILE 24 Cb -0.04 -1.05 0.03 0.00 0.13 0.00 0.00 42.46 41.53 2b9k s ILE 24 CO -0.00 -0.33 1.08 0.33 -1.91 0.00 0.00 174.94 174.11 2b9k n PHE 25 N 0.23 1.02 0.00 3.50 7.35 0.08 -1.60 117.46 128.03 2b9k n PHE 25 Ca -0.17 0.40 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 2b9k n PHE 25 Cb 0.61 -2.11 0.00 0.00 0.35 0.00 0.00 39.48 38.33 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 -2.32 0.00 -3.67 -4.13 0.00 -1.24 -4.71 118.16 102.08 2b9k n LYS 26 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.30 2b9k n LYS 26 Cb 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.45 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 -4.31 -0.37 0.06 3.14 0.01 -0.39 -5.02 113.70 106.81 2b9k s SER 27 Ca 0.00 0.36 -0.05 0.00 1.31 0.00 0.00 55.95 57.57 2b9k s SER 27 Cb 0.00 0.43 -0.02 0.00 0.21 0.00 0.00 66.02 66.64 2b9k s SER 27 CO 0.00 -0.49 0.07 -1.59 0.41 0.00 0.00 173.24 171.64 2b9k s LYS 28 N -1.20 0.65 0.04 12.44 -2.85 -1.26 -0.99 119.74 126.57 2b9k s LYS 28 Ca -0.12 -0.97 -0.13 0.00 -1.00 0.00 0.00 55.97 53.75 2b9k s LYS 28 Cb -0.03 0.25 0.02 0.00 -2.06 0.00 0.00 37.83 36.00 2b9k s LYS 28 CO 0.06 -0.16 0.28 1.52 0.10 0.00 0.00 175.35 177.15 2b9k s TYR 29 N -3.37 -0.07 -0.25 1.78 1.13 0.00 -4.98 117.35 111.58 2b9k s TYR 29 Ca 0.02 -0.06 -0.21 0.00 -1.41 0.00 0.00 57.07 55.41 2b9k s TYR 29 Cb 0.03 0.07 -0.02 0.00 -1.10 0.00 0.00 41.96 40.94 2b9k s TYR 29 CO -0.08 -0.47 0.67 -0.47 -2.51 0.00 0.00 175.55 172.68 2b9k s TYR 30 N -2.43 3.28 -1.19 -3.49 5.04 -1.26 -0.89 117.35 116.42 2b9k s TYR 30 Ca -0.06 0.86 -0.17 0.00 -2.44 0.00 0.00 57.07 55.27 2b9k s TYR 30 Cb -0.01 -2.89 0.12 0.00 0.35 0.00 0.00 41.96 39.52 2b9k s TYR 30 CO -0.03 -0.35 1.51 0.34 -1.34 0.00 0.00 175.55 175.69 2b9k s ASP 31 N 1.46 6.88 0.53 4.32 -1.08 -0.01 -4.84 116.67 123.92 2b9k s ASP 31 Ca 0.28 -2.53 0.24 0.00 -0.52 0.00 0.00 52.55 50.02 2b9k s ASP 31 Cb -0.15 -2.48 1.39 0.00 -1.46 0.00 0.00 42.92 40.21 2b9k s ASP 31 CO 0.08 -1.02 2.03 0.28 0.52 0.00 0.00 175.17 177.07 2b9k h SER 32 N 7.77 0.00 0.29 -0.34 0.02 -1.94 0.18 113.55 119.54 2b9k h SER 32 Ca 0.34 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.26 2b9k h SER 32 Cb 0.90 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 2b9k h SER 32 CO 1.33 0.00 -0.11 0.77 -1.14 0.00 0.00 176.83 177.68 2b9k h SER 33 N 0.00 0.00 0.00 3.07 4.64 -1.95 -3.28 113.55 116.03 2b9k h SER 33 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2b9k h SER 33 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2b9k h SER 33 CO -0.00 0.11 -0.79 0.29 -0.87 0.00 0.00 176.83 175.56 2b9k n LYS 34 N -3.74 1.40 -0.91 4.77 5.02 -0.40 -5.06 118.16 119.24 2b9k n LYS 34 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2b9k n LYS 34 Cb 0.22 -0.90 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 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 2.18 1.25 3.44 0.72 0.00 0.51 -5.08 105.19 108.20 2b9k n GLY 35 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.00 -0.03 0.55 1.61 -0.85 -1.21 -4.85 117.35 110.57 2b9k s TYR 36 Ca 0.00 -0.31 -0.18 0.00 -0.52 0.00 0.00 57.07 56.06 2b9k s TYR 36 Cb 0.00 0.27 -0.06 0.00 0.38 0.00 0.00 41.96 42.55 2b9k s TYR 36 CO 0.00 -0.83 1.05 -1.58 -1.52 0.00 0.00 175.55 172.68 2b9k s TRP 37 N -3.88 2.98 0.03 -3.49 0.52 -0.55 -0.83 118.94 113.72 2b9k s TRP 37 Ca 0.09 1.54 0.00 0.00 0.02 0.00 0.00 56.10 57.75 2b9k s TRP 37 Cb 0.01 -3.04 -0.02 0.00 -1.15 0.00 0.00 33.47 29.26 2b9k s TRP 37 CO -0.04 -1.03 -0.04 0.08 0.02 0.00 0.00 176.95 175.94 2b9k s VAL 38 N -2.25 0.22 0.13 4.03 1.01 -0.07 -1.50 120.40 121.97 2b9k s VAL 38 Ca 0.65 -1.13 -0.25 0.00 0.00 0.00 0.00 61.98 61.25 2b9k s VAL 38 Cb -0.16 -0.58 0.07 0.00 0.00 0.00 0.00 36.38 35.70 2b9k s VAL 38 CO 0.30 -0.58 0.91 -0.83 0.00 0.00 0.00 175.10 174.90 2b9k s GLY 39 N -1.79 -0.29 -0.19 4.51 0.00 -0.23 -0.82 107.32 108.52 2b9k s GLY 39 Ca -0.10 0.29 -0.04 0.00 0.00 0.00 0.00 44.72 44.87 2b9k s GLY 39 CO -0.02 0.07 -0.02 -0.42 0.00 0.00 0.00 173.10 172.71 2b9k s ILE 40 N -3.32 3.81 -0.11 0.90 1.01 -0.16 -1.95 121.20 121.36 2b9k s ILE 40 Ca 0.10 -0.37 -0.06 0.00 0.00 0.00 0.00 60.65 60.32 2b9k s ILE 40 Cb -0.02 -2.71 0.05 0.00 0.01 0.00 0.00 42.46 39.79 2b9k s ILE 40 CO -0.00 0.45 0.27 -0.47 0.00 0.00 0.00 174.94 175.18 2b9k s TYR 41 N 0.91 -0.36 -0.49 3.97 6.14 -0.63 -1.26 117.35 125.62 2b9k s TYR 41 Ca 0.00 0.85 0.03 0.00 0.64 0.00 0.00 57.07 58.59 2b9k s TYR 41 Cb -0.14 0.08 0.62 0.00 0.42 0.00 0.00 41.96 42.94 2b9k s TYR 41 CO 0.02 -0.24 1.94 -1.91 0.64 0.00 0.00 175.55 175.99 2b9k n GLU 42 N 4.13 2.33 0.00 4.97 2.13 -0.63 -0.37 120.64 133.20 2b9k n GLU 42 Ca -0.24 -3.05 0.00 0.00 0.66 0.00 0.00 57.16 54.53 2b9k n GLU 42 Cb 0.54 -2.19 0.00 0.00 0.27 0.00 0.00 31.44 30.05 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 -1.09 0.00 -1.09 6.31 3.14 -1.18 -0.33 118.33 124.09 2b9k n VAL 43 Ca 0.60 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.67 2b9k n VAL 43 Cb 1.45 -0.11 0.12 0.00 -1.06 0.00 0.00 33.84 34.24 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 -1.85 2.27 0.00 1.45 -0.00 -1.26 -5.00 118.94 114.56 2b9k s TRP 44 Ca 0.00 1.56 0.00 0.00 -0.00 0.00 0.00 56.10 57.66 2b9k s TRP 44 Cb 0.00 -3.14 0.00 0.00 -0.00 0.00 0.00 33.47 30.33 2b9k s TRP 44 CO 0.00 -2.19 0.00 -3.47 -0.00 0.00 0.00 176.95 171.29 2b9k n ASP 45 N -3.79 0.00 0.00 5.86 2.03 -1.26 -4.76 116.55 114.64 2b9k n ASP 45 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 2b9k n ASP 45 Cb 0.53 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 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 -2.32 0.00 0.00 -0.67 0.00 -1.26 -4.78 116.66 107.63 2b9k n ARG 46 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2b9k n ARG 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2b9k n ARG 46 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80