#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 -4.18 0.00 -5.35 -1.26 -4.87 119.36 103.70 2b9k n ILE 2 Ca 0.00 -0.26 -0.11 0.00 -0.27 0.00 0.00 62.75 62.11 2b9k n ILE 2 Cb 0.00 -0.81 -0.10 0.00 -1.74 0.00 0.00 39.64 36.99 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 -4.03 0.93 -0.06 6.28 -0.14 0.52 -4.98 119.74 118.26 2b9k s LYS 3 Ca 0.62 -1.43 0.05 0.00 -1.36 0.00 0.00 55.97 53.86 2b9k s LYS 3 Cb -0.20 -0.03 -0.01 0.00 -1.68 0.00 0.00 37.83 35.90 2b9k s LYS 3 CO 0.64 -0.15 -0.23 -0.51 -0.76 0.00 0.00 175.35 174.35 2b9k s LEU 4 N -3.08 2.19 0.01 3.17 1.43 -1.26 -1.66 118.68 119.48 2b9k s LEU 4 Ca 0.19 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 2b9k s LEU 4 Cb 0.07 -1.41 -0.01 0.00 0.03 0.00 0.00 46.19 44.86 2b9k s LEU 4 CO -0.00 0.25 -0.03 -0.69 0.23 0.00 0.00 176.35 176.11 2b9k s VAL 5 N -0.19 0.16 -0.11 -1.59 1.01 -0.96 -5.02 120.40 113.70 2b9k s VAL 5 Ca -0.02 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 2b9k s VAL 5 Cb -0.14 -0.22 0.06 0.00 0.00 0.00 0.00 36.38 36.08 2b9k s VAL 5 CO 0.03 -0.24 0.20 -1.10 0.00 0.00 0.00 175.10 173.99 2b9k s GLN 6 N -0.82 0.09 -0.11 2.72 -0.21 -1.26 -1.61 119.66 118.46 2b9k s GLN 6 Ca -0.08 0.60 -0.30 0.00 0.02 0.00 0.00 55.36 55.60 2b9k s GLN 6 Cb -0.06 -0.27 0.12 0.00 1.00 0.00 0.00 33.01 33.80 2b9k s GLN 6 CO -0.00 -0.33 0.96 -1.12 -2.12 0.00 0.00 175.29 172.67 2b9k s SER 7 N 2.34 -0.38 0.35 5.90 0.01 -0.60 -5.00 113.70 116.33 2b9k s SER 7 Ca 0.03 0.29 0.17 0.00 1.31 0.00 0.00 55.95 57.75 2b9k s SER 7 Cb -0.12 0.33 0.60 0.00 0.21 0.00 0.00 66.02 67.04 2b9k s SER 7 CO -0.07 -0.43 1.70 1.55 0.41 0.00 0.00 173.24 176.40 2b9k h PRO 8 N 2.41 0.00 0.00 12.44 0.13 -1.88 -1.46 132.00 143.64 2b9k h PRO 8 Ca -0.19 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.85 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 0.31 0.43 -0.41 -2.95 -0.23 0.00 0.00 178.00 175.15 2b9k h ASN 9 N 0.00 0.00 -4.54 1.44 7.08 -1.94 -3.40 115.58 114.23 2b9k h ASN 9 Ca -0.00 0.00 -0.26 0.00 -3.08 0.00 0.00 56.30 52.96 2b9k h ASN 9 Cb 0.94 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 37.15 2b9k h ASN 9 CO 0.06 0.41 -0.35 0.61 -2.08 0.00 0.00 177.43 176.08 2b9k n GLY 10 N -0.34 -0.49 3.59 9.14 0.00 -1.21 -4.81 105.19 111.06 2b9k n GLY 10 Ca -0.02 0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.26 5.28 -0.13 1.61 2.47 -1.26 -4.92 114.94 115.74 2b9k s ASN 11 Ca 0.13 1.62 -0.29 0.00 0.42 0.00 0.00 52.86 54.74 2b9k s ASN 11 Cb -0.07 -2.51 -0.05 0.00 -1.45 0.00 0.00 41.25 37.17 2b9k s ASN 11 CO 0.16 -2.14 1.80 0.12 -3.72 0.00 0.00 177.10 173.33 2b9k s PHE 12 N 8.99 1.74 -1.17 0.43 5.36 -1.26 -4.89 117.98 127.18 2b9k s PHE 12 Ca 0.97 0.25 0.19 0.00 -0.96 0.00 0.00 56.93 57.38 2b9k s PHE 12 Cb -0.28 -4.02 -0.15 0.00 -0.34 0.00 0.00 43.02 38.23 2b9k s PHE 12 CO 0.33 -3.90 0.87 0.00 -1.46 0.00 0.00 175.22 171.06 2b9k n ALA 13 N 8.51 4.19 0.00 11.12 0.00 -1.26 -5.02 120.51 138.05 2b9k n ALA 13 Ca 0.20 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2b9k n ALA 13 Cb 0.44 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 -1.05 0.00 -3.55 0.00 0.00 -1.26 -4.69 120.51 109.96 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 0.33 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 0.00 -0.37 0.37 0.00 1.04 -1.26 -0.86 113.70 112.62 2b9k s SER 15 Ca 0.00 -0.12 -0.15 0.00 0.48 0.00 0.00 55.95 56.16 2b9k s SER 15 Cb 0.00 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.65 2b9k s SER 15 CO 0.00 -0.81 0.76 0.12 0.98 0.00 0.00 173.24 174.30 2b9k s PHE 16 N -3.36 0.15 -0.03 5.02 5.36 -0.19 -4.95 117.98 119.98 2b9k s PHE 16 Ca 0.06 -0.78 0.00 0.00 -0.96 0.00 0.00 56.93 55.25 2b9k s PHE 16 Cb -0.01 0.77 0.03 0.00 -0.34 0.00 0.00 43.02 43.47 2b9k s PHE 16 CO -0.07 -1.52 -0.01 0.08 -1.46 0.00 0.00 175.22 172.25 2b9k s VAL 17 N -2.50 0.24 -0.15 3.12 1.01 -1.26 -0.84 120.40 120.01 2b9k s VAL 17 Ca 0.16 0.05 -0.20 0.00 0.00 0.00 0.00 61.98 61.99 2b9k s VAL 17 Cb -0.05 -0.33 0.05 0.00 0.00 0.00 0.00 36.38 36.05 2b9k s VAL 17 CO 0.11 0.16 0.53 -0.22 0.00 0.00 0.00 175.10 175.68 2b9k s LEU 18 N 1.04 -0.02 -1.51 3.92 2.96 -0.51 -4.95 118.68 119.61 2b9k s LEU 18 Ca -0.10 0.89 -0.05 0.00 -0.22 0.00 0.00 54.13 54.65 2b9k s LEU 18 Cb -0.14 1.87 0.04 0.00 0.50 0.00 0.00 46.19 48.47 2b9k s LEU 18 CO -0.01 -0.29 0.45 -0.67 -1.32 0.00 0.00 176.35 174.50 2b9k n ASP 19 N 2.28 -0.86 -1.77 3.68 2.03 -1.26 -1.44 116.55 119.21 2b9k n ASP 19 Ca -0.16 -1.05 -0.19 0.00 0.52 0.00 0.00 54.79 53.91 2b9k n ASP 19 Cb 0.56 -2.75 -0.06 0.00 -0.72 0.00 0.00 41.12 38.16 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 -1.92 1.02 3.07 0.27 0.00 -1.26 -4.97 105.19 101.40 2b9k n GLY 20 Ca -0.22 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.82 0.67 0.26 2.61 2.01 -0.52 -5.16 115.64 112.70 2b9k s THR 21 Ca 0.00 -0.93 -0.10 0.00 0.31 0.00 0.00 61.69 60.97 2b9k s THR 21 Cb 0.00 -0.68 -0.07 0.00 0.01 0.00 0.00 72.50 71.76 2b9k s THR 21 CO 0.00 -0.21 0.59 -0.75 -0.69 0.00 0.00 174.62 173.56 2b9k s LYS 22 N -1.25 3.81 -0.00 4.92 2.20 -1.26 -1.42 119.74 126.73 2b9k s LYS 22 Ca -0.05 0.31 0.02 0.00 -0.36 0.00 0.00 55.97 55.89 2b9k s LYS 22 Cb -0.08 -2.60 -0.00 0.00 -1.51 0.00 0.00 37.83 33.64 2b9k s LYS 22 CO 0.01 0.25 -0.06 -1.58 -0.36 0.00 0.00 175.35 173.62 2b9k s TRP 23 N -1.92 0.49 0.08 4.03 0.52 -0.02 -4.94 118.94 117.19 2b9k s TRP 23 Ca 0.48 -0.09 -0.19 0.00 0.02 0.00 0.00 56.10 56.32 2b9k s TRP 23 Cb -0.11 -0.32 0.04 0.00 -1.15 0.00 0.00 33.47 31.94 2b9k s TRP 23 CO 0.22 -0.01 0.46 -1.50 0.02 0.00 0.00 176.95 176.14 2b9k s ILE 24 N -0.14 0.05 0.81 2.03 2.07 0.76 -1.02 121.20 125.76 2b9k s ILE 24 Ca 0.02 -0.40 -0.13 0.00 -1.41 0.00 0.00 60.65 58.73 2b9k s ILE 24 Cb -0.02 -1.04 0.08 0.00 0.13 0.00 0.00 42.46 41.61 2b9k s ILE 24 CO -0.00 -0.22 1.17 0.33 -1.91 0.00 0.00 174.94 174.31 2b9k n PHE 25 N 0.13 1.18 0.03 3.50 7.35 -0.04 -1.61 117.46 128.00 2b9k n PHE 25 Ca -0.17 0.40 0.00 0.00 -0.76 0.00 0.00 57.45 56.92 2b9k n PHE 25 Cb 0.62 -2.10 0.00 0.00 0.35 0.00 0.00 39.48 38.35 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 -3.21 0.00 -3.73 -4.13 0.00 -1.25 -4.76 118.16 101.09 2b9k n LYS 26 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.31 2b9k n LYS 26 Cb 0.50 -0.02 -0.09 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 -4.37 -0.35 0.01 3.14 0.01 -0.23 -5.03 113.70 106.89 2b9k s SER 27 Ca 0.00 0.52 -0.13 0.00 1.31 0.00 0.00 55.95 57.65 2b9k s SER 27 Cb 0.00 0.60 0.02 0.00 0.21 0.00 0.00 66.02 66.85 2b9k s SER 27 CO 0.00 -0.29 0.28 -1.59 0.41 0.00 0.00 173.24 172.04 2b9k s LYS 28 N -0.49 0.68 0.10 12.44 -2.85 -1.26 -0.95 119.74 127.41 2b9k s LYS 28 Ca -0.06 -0.33 -0.16 0.00 -1.00 0.00 0.00 55.97 54.42 2b9k s LYS 28 Cb -0.04 0.29 0.03 0.00 -2.06 0.00 0.00 37.83 36.06 2b9k s LYS 28 CO 0.03 -0.19 0.38 1.52 0.10 0.00 0.00 175.35 177.19 2b9k s TYR 29 N -1.71 -0.19 -0.27 1.78 1.13 -0.13 -4.99 117.35 112.97 2b9k s TYR 29 Ca -0.11 -0.07 -0.19 0.00 -1.41 0.00 0.00 57.07 55.28 2b9k s TYR 29 Cb -0.04 0.22 -0.02 0.00 -1.10 0.00 0.00 41.96 41.02 2b9k s TYR 29 CO 0.02 -0.65 0.57 -0.47 -2.51 0.00 0.00 175.55 172.50 2b9k s TYR 30 N -3.48 3.26 -1.18 -3.49 5.04 -1.26 -0.89 117.35 115.34 2b9k s TYR 30 Ca 0.01 0.66 -0.15 0.00 -2.44 0.00 0.00 57.07 55.16 2b9k s TYR 30 Cb 0.01 -2.82 0.15 0.00 0.35 0.00 0.00 41.96 39.66 2b9k s TYR 30 CO -0.10 -0.34 1.44 0.34 -1.34 0.00 0.00 175.55 175.55 2b9k s ASP 31 N 1.55 6.99 0.58 4.32 2.15 0.23 -4.87 116.67 127.61 2b9k s ASP 31 Ca 0.23 -2.80 0.28 0.00 0.43 0.00 0.00 52.55 50.70 2b9k s ASP 31 Cb -0.15 -2.43 1.52 0.00 -0.30 0.00 0.00 42.92 41.56 2b9k s ASP 31 CO 0.10 -0.85 1.97 0.28 -0.17 0.00 0.00 175.17 176.50 2b9k h SER 32 N 7.44 0.00 0.28 -0.34 0.02 -1.95 0.13 113.55 119.13 2b9k h SER 32 Ca 0.31 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2b9k h SER 32 Cb 0.89 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.43 2b9k h SER 32 CO 1.26 0.00 -0.02 0.28 -1.14 0.00 0.00 176.83 177.21 2b9k h SER 33 N 0.00 0.00 0.00 3.07 0.02 -1.95 -3.14 113.55 111.55 2b9k h SER 33 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2b9k h SER 33 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2b9k h SER 33 CO -0.00 0.02 -0.17 0.29 -1.14 0.00 0.00 176.83 175.82 2b9k n LYS 34 N -3.24 3.98 -2.66 3.45 5.02 -0.29 -5.06 118.16 119.37 2b9k n LYS 34 Ca -0.02 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.22 2b9k n LYS 34 Cb 0.15 -0.46 0.02 0.00 -0.02 0.00 0.00 35.03 34.71 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 0.93 0.53 3.35 0.72 0.00 0.29 -5.06 105.19 105.93 2b9k n GLY 35 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.08 0.51 0.45 1.61 -0.85 -1.23 -4.83 117.35 109.94 2b9k s TYR 36 Ca 0.11 -0.86 -0.17 0.00 -0.52 0.00 0.00 57.07 55.62 2b9k s TYR 36 Cb -0.05 -0.11 -0.09 0.00 0.38 0.00 0.00 41.96 42.10 2b9k s TYR 36 CO 0.17 -0.74 0.92 -1.58 -1.52 0.00 0.00 175.55 172.81 2b9k s TRP 37 N -4.00 3.39 0.04 -3.49 0.52 -0.55 -0.60 118.94 114.25 2b9k s TRP 37 Ca 0.21 1.45 0.01 0.00 0.02 0.00 0.00 56.10 57.79 2b9k s TRP 37 Cb 0.03 -2.75 -0.02 0.00 -1.15 0.00 0.00 33.47 29.58 2b9k s TRP 37 CO 0.03 -0.19 -0.06 0.08 0.02 0.00 0.00 176.95 176.82 2b9k s VAL 38 N -2.36 0.41 0.14 4.03 1.01 -0.07 -1.56 120.40 121.99 2b9k s VAL 38 Ca 0.59 -1.08 -0.25 0.00 0.00 0.00 0.00 61.98 61.23 2b9k s VAL 38 Cb -0.10 -0.57 0.07 0.00 0.00 0.00 0.00 36.38 35.78 2b9k s VAL 38 CO 0.23 -0.45 0.86 -0.83 0.00 0.00 0.00 175.10 174.90 2b9k s GLY 39 N -1.64 -0.31 -0.23 4.51 0.00 -0.63 -0.96 107.32 108.05 2b9k s GLY 39 Ca -0.10 0.30 -0.06 0.00 0.00 0.00 0.00 44.72 44.86 2b9k s GLY 39 CO -0.01 0.08 0.02 -0.42 0.00 0.00 0.00 173.10 172.78 2b9k s ILE 40 N -3.41 3.96 0.04 0.90 1.01 -0.12 -2.26 121.20 121.32 2b9k s ILE 40 Ca 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.43 2b9k s ILE 40 Cb -0.02 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 2b9k s ILE 40 CO -0.01 0.38 -0.01 -0.31 0.00 0.00 0.00 174.94 174.99 2b9k s TYR 41 N 1.48 0.37 -0.22 3.97 2.02 -0.67 -1.07 117.35 123.24 2b9k s TYR 41 Ca 0.06 -0.78 0.15 0.00 -0.37 0.00 0.00 57.07 56.12 2b9k s TYR 41 Cb -0.15 -0.28 0.46 0.00 -0.40 0.00 0.00 41.96 41.60 2b9k s TYR 41 CO 0.01 -0.31 1.17 -1.91 -1.57 0.00 0.00 175.55 172.94 2b9k n GLU 42 N 0.76 2.15 0.00 -0.62 2.13 -0.63 -0.35 120.64 124.07 2b9k n GLU 42 Ca -0.18 -3.49 0.00 0.00 0.66 0.00 0.00 57.16 54.15 2b9k n GLU 42 Cb 0.58 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.67 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 -0.58 0.00 -1.85 6.31 3.14 -1.20 -0.17 118.33 123.97 2b9k n VAL 43 Ca 0.23 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 61.21 2b9k n VAL 43 Cb 0.89 -0.06 0.01 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 -1.60 2.56 -0.35 1.45 -0.00 -1.26 -4.95 118.94 114.79 2b9k s TRP 44 Ca 0.00 1.27 0.15 0.00 -0.00 0.00 0.00 56.10 57.51 2b9k s TRP 44 Cb 0.00 -3.90 0.41 0.00 -0.00 0.00 0.00 33.47 29.98 2b9k s TRP 44 CO 0.00 -2.79 0.86 -3.47 -0.00 0.00 0.00 176.95 171.55 2b9k n ASP 45 N 0.04 1.42 0.00 5.86 2.03 -1.26 -4.94 116.55 119.70 2b9k n ASP 45 Ca 0.04 -2.91 0.00 0.00 0.52 0.00 0.00 54.79 52.44 2b9k n ASP 45 Cb 0.41 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 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 0.06 0.00 0.00 -0.67 1.85 -1.26 -5.17 116.66 111.47 2b9k n ARG 46 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.03 2b9k n ARG 46 Cb 0.73 -3.08 0.00 0.00 -1.05 0.00 0.00 32.46 29.06 2b9k n ARG 46 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25