#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 0.00 -4.41 0.00 -6.64 -1.26 -4.83 119.36 102.22 2b9k n ILE 2 Ca 0.00 -0.16 -0.20 0.00 -1.77 0.00 0.00 62.75 60.62 2b9k n ILE 2 Cb 0.00 -1.00 -0.10 0.00 -1.44 0.00 0.00 39.64 37.10 2b9k n ILE 2 CO 0.00 0.00 0.00 -0.54 -1.77 0.00 0.00 176.55 174.24 2b9k s LYS 3 N -4.55 1.49 -0.04 6.28 1.02 0.56 -4.96 119.74 119.54 2b9k s LYS 3 Ca 0.68 -1.74 0.06 0.00 0.02 0.00 0.00 55.97 54.98 2b9k s LYS 3 Cb -0.24 -1.10 -0.01 0.00 -0.52 0.00 0.00 37.83 35.96 2b9k s LYS 3 CO 0.61 0.05 -0.21 -0.51 -0.92 0.00 0.00 175.35 174.37 2b9k s LEU 4 N -3.41 2.00 0.02 3.17 1.43 -1.26 -1.36 118.68 119.27 2b9k s LEU 4 Ca 0.28 -0.41 -0.03 0.00 -1.03 0.00 0.00 54.13 52.95 2b9k s LEU 4 Cb 0.03 -1.12 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 2b9k s LEU 4 CO 0.11 0.22 0.03 -0.69 0.23 0.00 0.00 176.35 176.24 2b9k s VAL 5 N -0.21 0.11 -0.03 -1.59 1.01 -1.00 -5.02 120.40 113.67 2b9k s VAL 5 Ca 0.01 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 2b9k s VAL 5 Cb -0.11 -0.42 0.02 0.00 0.00 0.00 0.00 36.38 35.88 2b9k s VAL 5 CO 0.01 -0.50 0.07 -1.10 0.00 0.00 0.00 175.10 173.58 2b9k s GLN 6 N -1.64 0.04 -0.15 2.72 -0.21 -1.26 -1.56 119.66 117.60 2b9k s GLN 6 Ca -0.14 0.17 -0.30 0.00 0.02 0.00 0.00 55.36 55.12 2b9k s GLN 6 Cb -0.08 -0.10 0.12 0.00 1.00 0.00 0.00 33.01 33.96 2b9k s GLN 6 CO -0.01 -0.09 0.98 0.45 -2.12 0.00 0.00 175.29 174.50 2b9k s SER 7 N 0.60 -0.38 0.47 5.90 0.15 -0.48 -4.94 113.70 115.01 2b9k s SER 7 Ca -0.05 0.40 0.24 0.00 0.70 0.00 0.00 55.95 57.24 2b9k s SER 7 Cb -0.07 0.31 1.14 0.00 -1.71 0.00 0.00 66.02 65.70 2b9k s SER 7 CO -0.02 -0.36 1.94 1.55 1.20 0.00 0.00 173.24 177.55 2b9k h PRO 8 N 2.55 0.00 -0.05 5.44 0.13 -1.87 -1.14 132.00 137.06 2b9k h PRO 8 Ca -0.19 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.80 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 0.31 0.20 -0.63 -0.97 -0.23 0.00 0.00 178.00 176.69 2b9k h ASN 9 N 0.00 0.21 -4.56 1.44 -0.73 -1.96 -3.40 115.58 106.58 2b9k h ASN 9 Ca -0.00 -0.13 -0.41 0.00 1.87 0.00 0.00 56.30 57.64 2b9k h ASN 9 Cb 0.55 -0.06 0.05 0.00 0.27 0.00 0.00 38.32 39.12 2b9k h ASN 9 CO 0.03 0.79 -0.60 0.61 -0.37 0.00 0.00 177.43 177.88 2b9k n GLY 10 N 0.32 -0.52 3.53 1.57 0.00 -1.19 -4.85 105.19 104.04 2b9k n GLY 10 Ca -0.02 0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.51 2.01 -4.64 1.61 5.15 -1.26 -4.91 115.26 110.71 2b9k n ASN 11 Ca -0.11 -0.17 -0.43 0.00 -0.60 0.00 0.00 54.58 53.28 2b9k n ASN 11 Cb 0.62 -1.41 -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 10.50 2.19 -1.49 1.20 5.36 -1.26 -4.90 117.98 129.57 2b9k s PHE 12 Ca 1.07 0.56 0.22 0.00 -0.96 0.00 0.00 56.93 57.82 2b9k s PHE 12 Cb -0.50 -3.93 -0.01 0.00 -0.34 0.00 0.00 43.02 38.25 2b9k s PHE 12 CO 0.35 -2.88 1.07 0.00 -1.46 0.00 0.00 175.22 172.30 2b9k n ALA 13 N 8.04 4.05 -0.12 11.12 0.00 -1.26 -5.02 120.51 137.32 2b9k n ALA 13 Ca 0.18 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2b9k n ALA 13 Cb 0.45 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.82 0.00 -3.61 0.00 0.00 -1.26 -4.71 120.51 110.12 2b9k n ALA 14 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.44 2b9k n ALA 14 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.80 -0.32 0.32 0.00 1.04 -1.26 -0.85 113.70 111.83 2b9k s SER 15 Ca 0.00 -0.19 -0.16 0.00 0.48 0.00 0.00 55.95 56.08 2b9k s SER 15 Cb 0.00 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.63 2b9k s SER 15 CO 0.00 -0.83 0.70 0.12 0.98 0.00 0.00 173.24 174.21 2b9k s PHE 16 N -3.33 0.10 -0.02 5.02 5.36 -0.18 -4.95 117.98 119.97 2b9k s PHE 16 Ca 0.07 -0.62 0.01 0.00 -0.96 0.00 0.00 56.93 55.44 2b9k s PHE 16 Cb -0.02 0.64 0.02 0.00 -0.34 0.00 0.00 43.02 43.32 2b9k s PHE 16 CO -0.04 -1.34 -0.02 0.08 -1.46 0.00 0.00 175.22 172.44 2b9k s VAL 17 N -3.22 0.24 -0.09 3.12 1.01 -1.26 -0.81 120.40 119.39 2b9k s VAL 17 Ca 0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 2b9k s VAL 17 Cb -0.05 -0.28 0.05 0.00 0.00 0.00 0.00 36.38 36.10 2b9k s VAL 17 CO 0.10 0.12 0.18 -0.22 0.00 0.00 0.00 175.10 175.28 2b9k s LEU 18 N 0.58 -0.07 -1.61 3.92 0.20 -0.18 -4.88 118.68 116.65 2b9k s LEU 18 Ca -0.06 0.38 -0.13 0.00 0.69 0.00 0.00 54.13 55.02 2b9k s LEU 18 Cb -0.09 0.36 0.10 0.00 -0.43 0.00 0.00 46.19 46.14 2b9k s LEU 18 CO -0.01 -0.24 0.68 -0.67 -0.29 0.00 0.00 176.35 175.82 2b9k n ASP 19 N 5.25 -2.45 0.00 3.68 2.03 -1.26 -1.25 116.55 122.55 2b9k n ASP 19 Ca -0.06 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.24 2b9k n ASP 19 Cb 0.50 -2.89 0.00 0.00 -0.72 0.00 0.00 41.12 38.01 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 -1.62 0.73 3.83 0.27 0.00 -1.26 -5.01 105.19 102.13 2b9k n GLY 20 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.07 5.47 0.30 2.61 2.01 -0.38 -5.11 115.64 117.47 2b9k s THR 21 Ca 0.00 0.21 -0.12 0.00 0.31 0.00 0.00 61.69 62.08 2b9k s THR 21 Cb 0.00 -3.43 -0.08 0.00 0.01 0.00 0.00 72.50 69.00 2b9k s THR 21 CO 0.00 0.56 0.67 -0.75 -0.69 0.00 0.00 174.62 174.41 2b9k s LYS 22 N -0.54 3.90 -0.00 4.92 2.20 -1.26 -1.01 119.74 127.95 2b9k s LYS 22 Ca 0.13 0.50 0.01 0.00 -0.36 0.00 0.00 55.97 56.25 2b9k s LYS 22 Cb -0.12 -2.50 -0.00 0.00 -1.51 0.00 0.00 37.83 33.70 2b9k s LYS 22 CO 0.02 0.19 -0.04 -1.58 -0.36 0.00 0.00 175.35 173.58 2b9k s TRP 23 N -1.97 0.33 0.08 4.03 0.52 0.01 -4.96 118.94 116.98 2b9k s TRP 23 Ca 0.51 -0.06 -0.18 0.00 0.02 0.00 0.00 56.10 56.39 2b9k s TRP 23 Cb -0.11 -0.22 0.04 0.00 -1.15 0.00 0.00 33.47 32.04 2b9k s TRP 23 CO 0.20 -0.01 0.43 -1.50 0.02 0.00 0.00 176.95 176.10 2b9k s ILE 24 N -0.08 0.05 0.80 2.03 2.07 0.81 -1.01 121.20 125.87 2b9k s ILE 24 Ca 0.01 -0.44 -0.14 0.00 -1.41 0.00 0.00 60.65 58.67 2b9k s ILE 24 Cb -0.01 -1.03 0.05 0.00 0.13 0.00 0.00 42.46 41.60 2b9k s ILE 24 CO -0.00 -0.24 1.03 0.33 -1.91 0.00 0.00 174.94 174.15 2b9k n PHE 25 N 0.20 0.75 0.05 3.50 7.35 -0.03 -1.70 117.46 127.58 2b9k n PHE 25 Ca -0.18 0.38 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 2b9k n PHE 25 Cb 0.61 -2.06 0.00 0.00 0.35 0.00 0.00 39.48 38.39 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 -2.66 0.00 -3.73 -4.13 0.00 -1.24 -4.74 118.16 101.67 2b9k n LYS 26 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.30 2b9k n LYS 26 Cb 0.50 -0.04 -0.08 0.00 0.00 0.00 0.00 35.03 35.41 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 -4.61 -0.23 0.02 3.14 0.01 -0.33 -5.02 113.70 106.67 2b9k s SER 27 Ca 0.00 0.09 -0.03 0.00 1.31 0.00 0.00 55.95 57.31 2b9k s SER 27 Cb 0.00 0.35 -0.01 0.00 0.21 0.00 0.00 66.02 66.57 2b9k s SER 27 CO 0.00 -0.51 0.05 -1.59 0.41 0.00 0.00 173.24 171.59 2b9k s LYS 28 N -1.65 0.42 0.04 12.44 -2.85 -1.26 -1.32 119.74 125.56 2b9k s LYS 28 Ca -0.11 -0.57 -0.16 0.00 -1.00 0.00 0.00 55.97 54.13 2b9k s LYS 28 Cb -0.04 0.16 0.03 0.00 -2.06 0.00 0.00 37.83 35.92 2b9k s LYS 28 CO 0.03 -0.09 0.35 1.52 0.10 0.00 0.00 175.35 177.26 2b9k s TYR 29 N -1.66 -0.18 -0.24 1.78 1.13 -0.13 -4.98 117.35 113.07 2b9k s TYR 29 Ca -0.13 0.08 -0.21 0.00 -1.41 0.00 0.00 57.07 55.40 2b9k s TYR 29 Cb -0.07 0.15 -0.02 0.00 -1.10 0.00 0.00 41.96 40.92 2b9k s TYR 29 CO -0.01 -0.54 0.64 -0.47 -2.51 0.00 0.00 175.55 172.66 2b9k s TYR 30 N -2.53 3.31 -1.10 -3.49 5.04 -1.26 -0.77 117.35 116.55 2b9k s TYR 30 Ca -0.05 0.86 -0.19 0.00 -2.44 0.00 0.00 57.07 55.25 2b9k s TYR 30 Cb -0.01 -2.84 0.10 0.00 0.35 0.00 0.00 41.96 39.56 2b9k s TYR 30 CO -0.03 -0.28 1.44 0.34 -1.34 0.00 0.00 175.55 175.67 2b9k s ASP 31 N 1.39 6.71 0.56 4.32 -1.08 0.08 -4.86 116.67 123.80 2b9k s ASP 31 Ca 0.27 -2.10 0.25 0.00 -0.52 0.00 0.00 52.55 50.45 2b9k s ASP 31 Cb -0.16 -2.50 1.54 0.00 -1.46 0.00 0.00 42.92 40.34 2b9k s ASP 31 CO 0.09 -1.19 2.12 0.28 0.52 0.00 0.00 175.17 176.99 2b9k h SER 32 N 8.57 0.00 0.78 -0.34 0.02 -1.95 0.21 113.55 120.85 2b9k h SER 32 Ca 0.27 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.14 2b9k h SER 32 Cb 0.96 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 2b9k h SER 32 CO 1.33 0.00 -0.36 0.28 -1.14 0.00 0.00 176.83 176.93 2b9k h SER 33 N 0.00 0.00 0.00 3.07 0.02 -1.95 -3.26 113.55 111.43 2b9k h SER 33 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2b9k h SER 33 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2b9k h SER 33 CO -0.00 0.36 -1.28 0.29 -1.14 0.00 0.00 176.83 175.06 2b9k n LYS 34 N -3.58 1.06 -2.46 3.45 4.76 -0.67 -5.04 118.16 115.68 2b9k n LYS 34 Ca -0.00 -0.08 -0.01 0.00 -2.87 0.00 0.00 58.31 55.35 2b9k n LYS 34 Cb 0.49 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 32.47 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 1.72 0.84 3.41 0.72 0.00 0.66 -5.08 105.19 107.46 2b9k n GLY 35 Ca -0.01 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.87 0.11 0.58 1.61 -0.85 -1.19 -4.80 117.35 109.94 2b9k s TYR 36 Ca 0.01 -0.46 -0.17 0.00 -0.52 0.00 0.00 57.07 55.93 2b9k s TYR 36 Cb -0.01 0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.46 2b9k s TYR 36 CO 0.02 -0.80 1.07 -1.58 -1.52 0.00 0.00 175.55 172.73 2b9k s TRP 37 N -3.91 2.92 0.06 -3.49 0.52 -0.44 -0.74 118.94 113.87 2b9k s TRP 37 Ca 0.12 1.53 0.01 0.00 0.02 0.00 0.00 56.10 57.78 2b9k s TRP 37 Cb 0.01 -3.06 -0.03 0.00 -1.15 0.00 0.00 33.47 29.24 2b9k s TRP 37 CO -0.03 -1.18 -0.06 0.08 0.02 0.00 0.00 176.95 175.79 2b9k s VAL 38 N -2.32 0.48 0.19 4.03 1.01 0.05 -1.39 120.40 122.45 2b9k s VAL 38 Ca 0.65 -1.55 -0.22 0.00 0.00 0.00 0.00 61.98 60.86 2b9k s VAL 38 Cb -0.17 -1.18 0.05 0.00 0.00 0.00 0.00 36.38 35.08 2b9k s VAL 38 CO 0.34 -0.72 0.63 -0.83 0.00 0.00 0.00 175.10 174.52 2b9k s GLY 39 N -2.43 -0.46 -0.26 4.51 0.00 -0.60 -0.96 107.32 107.13 2b9k s GLY 39 Ca 0.01 0.25 -0.07 0.00 0.00 0.00 0.00 44.72 44.91 2b9k s GLY 39 CO -0.04 0.08 0.07 -0.42 0.00 0.00 0.00 173.10 172.78 2b9k s ILE 40 N -3.80 4.18 -0.08 0.90 1.01 -0.44 -2.37 121.20 120.60 2b9k s ILE 40 Ca 0.04 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.34 2b9k s ILE 40 Cb -0.02 -3.00 0.04 0.00 0.01 0.00 0.00 42.46 39.49 2b9k s ILE 40 CO -0.07 0.28 0.18 -0.47 0.00 0.00 0.00 174.94 174.86 2b9k s TYR 41 N 1.58 -0.22 -0.60 3.97 6.14 -0.46 -1.19 117.35 126.57 2b9k s TYR 41 Ca 0.06 0.61 -0.00 0.00 0.64 0.00 0.00 57.07 58.37 2b9k s TYR 41 Cb -0.15 -0.08 0.49 0.00 0.42 0.00 0.00 41.96 42.64 2b9k s TYR 41 CO 0.03 -0.21 1.97 -1.91 0.64 0.00 0.00 175.55 176.06 2b9k n GLU 42 N 4.49 2.63 0.00 4.97 2.13 -0.69 -0.32 120.64 133.85 2b9k n GLU 42 Ca -0.21 -3.27 0.00 0.00 0.66 0.00 0.00 57.16 54.34 2b9k n GLU 42 Cb 0.51 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 29.96 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 -1.99 6.31 3.14 -1.22 -0.13 118.33 123.48 2b9k n VAL 43 Ca 0.61 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.62 2b9k n VAL 43 Cb 0.88 -0.09 0.02 0.00 -1.06 0.00 0.00 33.84 33.59 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 -1.84 2.52 -0.19 1.45 -0.00 -1.26 -4.95 118.94 114.66 2b9k s TRP 44 Ca 0.00 1.45 0.23 0.00 -0.00 0.00 0.00 56.10 57.79 2b9k s TRP 44 Cb 0.00 -3.60 0.48 0.00 -0.00 0.00 0.00 33.47 30.35 2b9k s TRP 44 CO 0.00 -2.29 1.14 -3.47 -0.00 0.00 0.00 176.95 172.33 2b9k n ASP 45 N -0.91 1.28 -2.14 5.86 2.03 -1.26 -4.89 116.55 116.52 2b9k n ASP 45 Ca 0.10 -2.02 -0.17 0.00 0.52 0.00 0.00 54.79 53.22 2b9k n ASP 45 Cb 0.47 -0.38 -0.03 0.00 -0.72 0.00 0.00 41.12 40.46 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 -0.33 -1.77 0.00 -0.67 0.63 -1.26 -5.15 116.66 108.12 2b9k n ARG 46 Ca 0.05 0.87 0.00 0.00 -0.92 0.00 0.00 57.85 57.86 2b9k n ARG 46 Cb 0.89 -5.41 0.02 0.00 0.45 0.00 0.00 32.46 28.41 2b9k n ARG 46 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29