#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 1.99 -4.37 0.00 -5.35 -1.26 -4.84 119.36 105.53 2b9k n ILE 2 Ca 0.00 -0.25 -0.24 0.00 -0.27 0.00 0.00 62.75 62.00 2b9k n ILE 2 Cb 0.00 -1.10 -0.09 0.00 -1.74 0.00 0.00 39.64 36.71 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 -3.84 2.01 -0.15 6.28 1.02 0.64 -4.98 119.74 120.71 2b9k s LYS 3 Ca 0.71 -1.55 -0.01 0.00 0.02 0.00 0.00 55.97 55.15 2b9k s LYS 3 Cb -0.30 -2.00 -0.01 0.00 -0.52 0.00 0.00 37.83 35.00 2b9k s LYS 3 CO 0.53 0.36 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.69 2b9k s LEU 4 N -3.50 2.74 0.02 3.17 1.43 -1.26 -1.57 118.68 119.70 2b9k s LEU 4 Ca 0.30 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 2b9k s LEU 4 Cb -0.06 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 2b9k s LEU 4 CO 0.17 0.13 -0.03 -0.69 0.23 0.00 0.00 176.35 176.16 2b9k s VAL 5 N 0.55 0.17 -0.03 -1.59 1.01 -0.78 -5.02 120.40 114.70 2b9k s VAL 5 Ca -0.08 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 2b9k s VAL 5 Cb -0.15 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 35.98 2b9k s VAL 5 CO 0.04 -0.36 0.31 0.00 0.00 0.00 0.00 175.10 175.08 2b9k s GLN 6 N -1.15 0.62 0.00 2.72 -2.07 -1.26 -0.98 119.66 117.53 2b9k s GLN 6 Ca -0.11 -0.10 0.00 0.00 -1.82 0.00 0.00 55.36 53.33 2b9k s GLN 6 Cb -0.08 0.28 0.00 0.00 -1.09 0.00 0.00 33.01 32.12 2b9k s GLN 6 CO -0.01 -0.16 0.00 0.43 -1.32 0.00 0.00 175.29 174.23 2b9k n SER 7 N 1.54 0.00 0.23 12.60 7.64 -0.66 -4.88 113.62 130.09 2b9k n SER 7 Ca -0.20 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.78 2b9k n SER 7 Cb 0.56 0.00 0.54 0.00 -1.01 0.00 0.00 64.21 64.30 2b9k n SER 7 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2b9k h PRO 8 N 0.00 0.00 0.00 1.43 0.13 -1.87 -2.00 132.00 129.69 2b9k h PRO 8 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 2b9k h PRO 8 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2b9k h PRO 8 CO 0.00 0.20 -0.35 -2.95 -0.23 0.00 0.00 178.00 174.67 2b9k h ASN 9 N 0.00 0.00 -6.83 1.44 7.08 -1.94 -3.40 115.58 111.93 2b9k h ASN 9 Ca -0.00 0.00 -0.57 0.00 -3.08 0.00 0.00 56.30 52.65 2b9k h ASN 9 Cb 0.62 0.00 -0.23 0.00 -2.08 0.00 0.00 38.32 36.64 2b9k h ASN 9 CO 0.03 0.35 -0.86 0.61 -2.08 0.00 0.00 177.43 175.48 2b9k n GLY 10 N -0.35 -0.40 3.56 9.14 0.00 -1.19 -4.80 105.19 111.15 2b9k n GLY 10 Ca -0.02 0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.45 4.10 -0.20 1.61 2.47 -1.26 -4.91 114.94 113.30 2b9k s ASN 11 Ca 0.65 0.14 -0.29 0.00 0.42 0.00 0.00 52.86 53.79 2b9k s ASN 11 Cb -0.36 -2.54 -0.04 0.00 -1.45 0.00 0.00 41.25 36.85 2b9k s ASN 11 CO 0.95 -3.61 1.99 0.12 -3.72 0.00 0.00 177.10 172.83 2b9k s PHE 12 N 13.91 1.47 -0.81 0.43 5.36 -1.26 -4.87 117.98 132.22 2b9k s PHE 12 Ca 0.91 0.41 0.22 0.00 -0.96 0.00 0.00 56.93 57.51 2b9k s PHE 12 Cb -0.13 -4.03 -0.04 0.00 -0.34 0.00 0.00 43.02 38.49 2b9k s PHE 12 CO 0.10 -3.88 0.99 0.00 -1.46 0.00 0.00 175.22 170.96 2b9k n ALA 13 N 10.24 4.01 0.00 11.12 0.00 -1.26 -5.01 120.51 139.61 2b9k n ALA 13 Ca 0.25 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2b9k n ALA 13 Cb 0.45 -0.88 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 -1.66 0.00 -3.56 0.00 0.00 -1.26 -4.70 120.51 109.33 2b9k n ALA 14 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.39 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 0.00 -0.36 0.36 0.00 1.04 -1.26 -0.93 113.70 112.55 2b9k s SER 15 Ca 0.00 -0.12 -0.14 0.00 0.48 0.00 0.00 55.95 56.16 2b9k s SER 15 Cb 0.00 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.63 2b9k s SER 15 CO 0.00 -0.80 0.73 0.12 0.98 0.00 0.00 173.24 174.27 2b9k s PHE 16 N -3.33 0.23 -0.06 5.02 5.36 -0.15 -4.95 117.98 120.10 2b9k s PHE 16 Ca 0.06 -0.81 -0.04 0.00 -0.96 0.00 0.00 56.93 55.18 2b9k s PHE 16 Cb -0.01 0.67 0.02 0.00 -0.34 0.00 0.00 43.02 43.36 2b9k s PHE 16 CO -0.06 -1.46 0.14 0.54 -1.46 0.00 0.00 175.22 172.92 2b9k s VAL 17 N -2.65 -0.02 -0.17 3.12 0.11 -1.26 -0.88 120.40 118.64 2b9k s VAL 17 Ca 0.17 0.07 -0.10 0.00 -2.93 0.00 0.00 61.98 59.20 2b9k s VAL 17 Cb -0.04 -0.22 0.06 0.00 -1.53 0.00 0.00 36.38 34.65 2b9k s VAL 17 CO 0.12 0.03 0.43 -0.22 -3.33 0.00 0.00 175.10 172.13 2b9k s LEU 18 N 0.53 -0.08 -1.54 2.54 2.96 -0.21 -4.95 118.68 117.93 2b9k s LEU 18 Ca -0.04 0.92 -0.05 0.00 -0.22 0.00 0.00 54.13 54.75 2b9k s LEU 18 Cb -0.05 1.42 0.04 0.00 0.50 0.00 0.00 46.19 48.09 2b9k s LEU 18 CO -0.02 -0.19 0.32 -0.67 -1.32 0.00 0.00 176.35 174.46 2b9k n ASP 19 N 4.10 -0.33 -0.57 3.68 2.03 -1.26 -1.22 116.55 122.98 2b9k n ASP 19 Ca -0.22 -1.14 -0.07 0.00 0.52 0.00 0.00 54.79 53.88 2b9k n ASP 19 Cb 0.56 -2.32 -0.03 0.00 -0.72 0.00 0.00 41.12 38.61 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 0.93 3.16 0.27 0.00 -1.26 -5.01 105.19 101.22 2b9k n GLY 20 Ca -0.23 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.19 1.52 0.31 2.61 2.01 -0.36 -5.15 115.64 114.39 2b9k s THR 21 Ca 0.00 -0.77 -0.09 0.00 0.31 0.00 0.00 61.69 61.14 2b9k s THR 21 Cb 0.00 -1.29 -0.06 0.00 0.01 0.00 0.00 72.50 71.15 2b9k s THR 21 CO 0.00 0.43 0.64 -0.75 -0.69 0.00 0.00 174.62 174.25 2b9k s LYS 22 N -0.08 3.76 -0.00 4.92 2.20 -1.26 -1.04 119.74 128.24 2b9k s LYS 22 Ca -0.02 0.29 0.01 0.00 -0.36 0.00 0.00 55.97 55.89 2b9k s LYS 22 Cb -0.11 -2.55 -0.00 0.00 -1.51 0.00 0.00 37.83 33.66 2b9k s LYS 22 CO 0.02 0.16 -0.03 -1.58 -0.36 0.00 0.00 175.35 173.55 2b9k s TRP 23 N -2.09 0.29 0.12 4.03 0.52 -0.06 -4.95 118.94 116.80 2b9k s TRP 23 Ca 0.48 -0.07 -0.18 0.00 0.02 0.00 0.00 56.10 56.35 2b9k s TRP 23 Cb -0.11 -0.19 0.04 0.00 -1.15 0.00 0.00 33.47 32.07 2b9k s TRP 23 CO 0.27 -0.01 0.44 -1.50 0.02 0.00 0.00 176.95 176.16 2b9k s ILE 24 N -0.13 0.06 0.82 2.03 2.07 0.38 -0.98 121.20 125.44 2b9k s ILE 24 Ca 0.01 -0.46 -0.13 0.00 -1.41 0.00 0.00 60.65 58.65 2b9k s ILE 24 Cb -0.02 -1.12 0.07 0.00 0.13 0.00 0.00 42.46 41.53 2b9k s ILE 24 CO -0.00 -0.26 1.03 0.33 -1.91 0.00 0.00 174.94 174.13 2b9k n PHE 25 N -0.16 0.70 0.10 3.50 7.35 -0.11 -1.52 117.46 127.32 2b9k n PHE 25 Ca -0.16 0.38 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 2b9k n PHE 25 Cb 0.63 -2.04 0.00 0.00 0.35 0.00 0.00 39.48 38.42 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 -2.87 0.00 -3.71 -4.13 0.00 -1.25 -4.70 118.16 101.49 2b9k n LYS 26 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.29 2b9k n LYS 26 Cb 0.51 -0.01 -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 -4.69 -0.29 0.05 3.14 0.01 -0.10 -5.01 113.70 106.81 2b9k s SER 27 Ca 0.00 0.24 -0.10 0.00 1.31 0.00 0.00 55.95 57.41 2b9k s SER 27 Cb 0.00 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.62 2b9k s SER 27 CO 0.00 -0.47 0.21 -1.59 0.41 0.00 0.00 173.24 171.80 2b9k s LYS 28 N -1.23 0.75 0.14 12.44 -2.85 -1.26 -1.44 119.74 126.29 2b9k s LYS 28 Ca -0.12 -0.71 -0.18 0.00 -1.00 0.00 0.00 55.97 53.96 2b9k s LYS 28 Cb -0.04 0.31 0.04 0.00 -2.06 0.00 0.00 37.83 36.08 2b9k s LYS 28 CO 0.05 -0.23 0.46 1.52 0.10 0.00 0.00 175.35 177.25 2b9k s TYR 29 N -2.93 -0.25 -0.26 1.78 1.13 -0.17 -4.98 117.35 111.67 2b9k s TYR 29 Ca -0.02 -0.05 -0.16 0.00 -1.41 0.00 0.00 57.07 55.43 2b9k s TYR 29 Cb 0.01 0.33 -0.03 0.00 -1.10 0.00 0.00 41.96 41.17 2b9k s TYR 29 CO -0.06 -0.76 0.43 -0.47 -2.51 0.00 0.00 175.55 172.18 2b9k s TYR 30 N -3.80 3.27 -1.04 -3.49 5.04 -1.26 -0.87 117.35 115.20 2b9k s TYR 30 Ca 0.04 0.53 -0.17 0.00 -2.44 0.00 0.00 57.07 55.03 2b9k s TYR 30 Cb 0.01 -2.62 0.14 0.00 0.35 0.00 0.00 41.96 39.84 2b9k s TYR 30 CO -0.11 -0.22 1.25 0.34 -1.34 0.00 0.00 175.55 175.48 2b9k s ASP 31 N 1.51 6.79 0.40 4.32 2.15 0.15 -4.86 116.67 127.12 2b9k s ASP 31 Ca 0.18 -2.39 0.21 0.00 0.43 0.00 0.00 52.55 50.98 2b9k s ASP 31 Cb -0.16 -2.40 1.15 0.00 -0.30 0.00 0.00 42.92 41.21 2b9k s ASP 31 CO 0.09 -0.96 1.60 0.28 -0.17 0.00 0.00 175.17 176.02 2b9k h SER 32 N 8.22 0.00 0.45 -0.34 0.02 -1.96 0.12 113.55 120.07 2b9k h SER 32 Ca 0.22 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2b9k h SER 32 Cb 0.97 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.51 2b9k h SER 32 CO 1.17 0.00 -0.05 0.28 -1.14 0.00 0.00 176.83 177.08 2b9k h SER 33 N 0.00 0.00 0.00 3.07 0.02 -1.95 -3.34 113.55 111.36 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 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2b9k h SER 33 CO 0.00 0.05 -0.01 0.29 -1.14 0.00 0.00 176.83 176.03 2b9k n LYS 34 N -3.33 1.32 -2.00 3.45 4.76 -0.58 -5.08 118.16 116.70 2b9k n LYS 34 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2b9k n LYS 34 Cb 0.21 -0.11 0.00 0.00 -1.84 0.00 0.00 35.03 33.29 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 0.04 0.69 3.23 0.72 0.00 0.33 -5.09 105.19 105.11 2b9k n GLY 35 Ca 0.00 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.84 0.45 0.53 1.61 -0.85 -1.23 -4.79 117.35 110.23 2b9k s TYR 36 Ca 0.00 -0.86 -0.17 0.00 -0.52 0.00 0.00 57.07 55.52 2b9k s TYR 36 Cb 0.00 -0.19 -0.07 0.00 0.38 0.00 0.00 41.96 42.08 2b9k s TYR 36 CO 0.00 -0.58 1.02 -1.58 -1.52 0.00 0.00 175.55 172.89 2b9k s TRP 37 N -3.95 3.15 0.03 -3.49 0.52 -0.76 -0.68 118.94 113.77 2b9k s TRP 37 Ca 0.14 1.52 0.00 0.00 0.02 0.00 0.00 56.10 57.78 2b9k s TRP 37 Cb 0.05 -2.95 -0.03 0.00 -1.15 0.00 0.00 33.47 29.40 2b9k s TRP 37 CO -0.04 -0.76 -0.04 0.08 0.02 0.00 0.00 176.95 176.22 2b9k s VAL 38 N -2.37 0.23 0.12 4.03 1.01 -0.04 -1.65 120.40 121.72 2b9k s VAL 38 Ca 0.63 -1.21 -0.25 0.00 0.00 0.00 0.00 61.98 61.14 2b9k s VAL 38 Cb -0.14 -0.70 0.07 0.00 0.00 0.00 0.00 36.38 35.62 2b9k s VAL 38 CO 0.29 -0.63 0.85 -0.83 0.00 0.00 0.00 175.10 174.79 2b9k s GLY 39 N -1.93 -0.34 -0.25 4.51 0.00 -0.16 -1.00 107.32 108.15 2b9k s GLY 39 Ca -0.08 0.41 -0.08 0.00 0.00 0.00 0.00 44.72 44.97 2b9k s GLY 39 CO -0.03 0.12 0.08 -0.42 0.00 0.00 0.00 173.10 172.85 2b9k s ILE 40 N -3.38 4.40 -0.05 0.90 1.01 -0.52 -1.87 121.20 121.67 2b9k s ILE 40 Ca 0.08 -0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.54 2b9k s ILE 40 Cb -0.02 -3.06 0.02 0.00 0.01 0.00 0.00 42.46 39.41 2b9k s ILE 40 CO -0.03 0.34 0.14 -0.47 0.00 0.00 0.00 174.94 174.92 2b9k s TYR 41 N 1.57 -0.16 -0.34 3.97 6.14 -0.61 -0.92 117.35 127.00 2b9k s TYR 41 Ca 0.06 0.39 0.07 0.00 0.64 0.00 0.00 57.07 58.23 2b9k s TYR 41 Cb -0.15 0.04 0.55 0.00 0.42 0.00 0.00 41.96 42.82 2b9k s TYR 41 CO 0.04 -0.08 1.59 -1.91 0.64 0.00 0.00 175.55 175.83 2b9k n GLU 42 N 3.11 1.95 0.00 4.97 2.13 -0.58 -0.26 120.64 131.96 2b9k n GLU 42 Ca -0.14 -3.15 0.00 0.00 0.66 0.00 0.00 57.16 54.53 2b9k n GLU 42 Cb 0.58 -1.92 0.00 0.00 0.27 0.00 0.00 31.44 30.37 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 -1.13 0.00 -1.85 6.31 3.14 -1.18 -0.47 118.33 123.14 2b9k n VAL 43 Ca 0.41 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.41 2b9k n VAL 43 Cb 1.21 -0.06 0.03 0.00 -1.06 0.00 0.00 33.84 33.96 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 -1.47 2.38 -0.31 1.45 -0.00 -1.26 -4.95 118.94 114.78 2b9k s TRP 44 Ca 0.00 1.39 0.19 0.00 -0.00 0.00 0.00 56.10 57.68 2b9k s TRP 44 Cb 0.00 -3.75 0.47 0.00 -0.00 0.00 0.00 33.47 30.19 2b9k s TRP 44 CO 0.00 -2.70 0.99 -3.47 -0.00 0.00 0.00 176.95 171.77 2b9k n ASP 45 N -0.88 1.55 0.00 5.86 2.03 -1.26 -4.90 116.55 118.95 2b9k n ASP 45 Ca 0.09 -2.56 0.00 0.00 0.52 0.00 0.00 54.79 52.85 2b9k n ASP 45 Cb 0.45 -0.52 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 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 0.00 -0.15 -0.67 -4.01 -1.26 -5.15 116.66 105.20 2b9k n ARG 46 Ca 0.09 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.90 2b9k n ARG 46 Cb 0.81 -3.14 0.00 0.00 -3.04 0.00 0.00 32.46 27.09 2b9k n ARG 46 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76