#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgh s PHE 2 N 0.00 2.90 -0.56 4.28 -0.71 -1.26 -4.85 117.98 117.78 2kgh s PHE 2 Ca 0.00 0.62 -0.26 0.00 -1.04 0.00 0.00 56.93 56.24 2kgh s PHE 2 Cb 0.00 -3.87 -0.09 0.00 -1.21 0.00 0.00 43.02 37.85 2kgh s PHE 2 CO 0.00 -3.27 2.43 -1.91 -1.34 0.00 0.00 175.22 171.13 2kgh n GLU 3 N 4.54 0.91 -4.02 1.99 4.07 -1.26 -4.74 120.64 122.13 2kgh n GLU 3 Ca 0.14 -0.14 0.04 0.00 -0.06 0.00 0.00 57.16 57.14 2kgh n GLU 3 Cb 0.40 -3.39 0.01 0.00 -0.06 0.00 0.00 31.44 28.40 2kgh n GLU 3 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2kgh s VAL 5 N -2.01 0.53 -1.16 0.00 1.01 -1.26 -4.93 120.40 112.58 2kgh s VAL 5 Ca 0.31 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 2kgh s VAL 5 Cb -0.00 -0.64 0.25 0.00 0.00 0.00 0.00 36.38 35.98 2kgh s VAL 5 CO -0.02 0.28 1.71 0.33 0.00 0.00 0.00 175.10 177.40 2kgh n PHE 6 N 4.96 2.52 1.35 5.22 -0.00 -1.26 -4.08 117.46 126.17 2kgh n PHE 6 Ca -0.10 -2.65 0.13 0.00 -0.00 0.00 0.00 57.45 54.83 2kgh n PHE 6 Cb 0.50 -1.53 0.44 0.00 -0.00 0.00 0.00 39.48 38.90 2kgh n PHE 6 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2kgh n SER 7 N 2.13 1.16 0.00 -2.13 7.64 -1.26 -2.02 113.62 119.14 2kgh n SER 7 Ca 0.35 -1.10 0.00 0.00 1.01 0.00 0.00 58.87 59.13 2kgh n SER 7 Cb 0.33 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 2kgh n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kgh s ASP 9 N -1.93 5.84 0.12 0.00 1.01 -1.26 -4.76 116.67 115.69 2kgh s ASP 9 Ca 0.00 2.67 0.24 0.00 0.71 0.00 0.00 52.55 56.17 2kgh s ASP 9 Cb 0.00 -2.63 0.93 0.00 1.01 0.00 0.00 42.92 42.23 2kgh s ASP 9 CO 0.00 -1.17 1.75 2.30 0.21 0.00 0.00 175.17 178.25 2kgh n ILE 10 N -0.46 0.55 -0.02 0.77 -5.35 -1.26 0.33 119.36 113.93 2kgh n ILE 10 Ca 0.07 0.01 -0.05 0.00 -0.27 0.00 0.00 62.75 62.51 2kgh n ILE 10 Cb 0.45 -0.76 -0.13 0.00 -1.74 0.00 0.00 39.64 37.46 2kgh n ILE 10 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2kgh n LYS 11 N -1.88 0.64 -0.08 6.28 3.00 -1.26 -4.58 118.16 120.28 2kgh n LYS 11 Ca 0.05 0.21 -0.07 0.00 -0.00 0.00 0.00 58.31 58.50 2kgh n LYS 11 Cb 0.31 -1.75 -0.03 0.00 0.00 0.00 0.00 35.03 33.56 2kgh n LYS 11 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2kgh n LYS 12 N -2.93 0.47 -2.64 1.64 4.76 -0.90 -4.97 118.16 113.60 2kgh n LYS 12 Ca -0.17 0.49 -0.23 0.00 -2.87 0.00 0.00 58.31 55.54 2kgh n LYS 12 Cb 0.99 -1.66 0.10 0.00 -1.84 0.00 0.00 35.03 32.61 2kgh n LYS 12 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2kgh s GLU 13 N -2.34 1.83 0.00 1.97 -6.30 0.15 -4.67 118.70 109.34 2kgh s GLU 13 Ca -0.18 -1.14 0.00 0.00 -2.50 0.00 0.00 54.97 51.15 2kgh s GLU 13 Cb 0.03 -2.38 0.00 0.00 0.00 0.00 0.00 34.13 31.78 2kgh s GLU 13 CO 0.28 -1.31 0.00 0.41 0.02 0.00 0.00 175.26 174.66 2kgh n GLY 14 N -2.72 0.00 0.00 -1.50 0.00 -1.20 -4.33 105.19 95.44 2kgh n GLY 14 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2kgh n GLY 14 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kgh n LYS 15 N 0.00 -1.41 -1.94 1.61 2.85 0.11 -4.88 118.16 114.51 2kgh n LYS 15 Ca 0.00 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.86 2kgh n LYS 15 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 2kgh n LYS 15 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 2kgh s PRO 16 N -2.00 2.90 0.38 -1.58 0.02 -1.26 -1.64 135.00 131.82 2kgh s PRO 16 Ca 0.00 1.15 0.03 0.00 0.02 0.00 0.00 61.00 62.20 2kgh s PRO 16 Cb 0.00 -4.33 -0.01 0.00 0.02 0.00 0.00 34.50 30.18 2kgh s PRO 16 CO 0.00 -2.39 0.12 0.00 -0.33 0.00 0.00 177.00 174.40 2kgh s LYS 18 N -3.45 3.00 -0.44 0.00 0.00 -1.26 -2.52 119.74 115.08 2kgh s LYS 18 Ca 0.17 -1.45 -0.27 0.00 0.00 0.00 0.00 55.97 54.42 2kgh s LYS 18 Cb 0.01 -4.21 -0.07 0.00 0.00 0.00 0.00 37.83 33.56 2kgh s LYS 18 CO 0.12 -1.22 2.38 -0.35 0.00 0.00 0.00 175.35 176.28 2kgh n PRO 19 N 5.43 1.22 -0.10 1.78 -0.04 -1.26 -4.26 135.00 137.77 2kgh n PRO 19 Ca -0.12 0.12 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 2kgh n PRO 19 Cb 0.42 -3.33 -0.05 0.00 -0.04 0.00 0.00 33.50 30.50 2kgh n PRO 19 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2kgh n LYS 20 N 8.92 0.54 -2.00 0.54 4.81 -1.25 -4.56 118.16 125.17 2kgh n LYS 20 Ca 0.36 0.25 -0.39 0.00 -0.87 0.00 0.00 58.31 57.67 2kgh n LYS 20 Cb 0.50 -1.47 0.03 0.00 0.02 0.00 0.00 35.03 34.11 2kgh n LYS 20 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kgh n GLY 21 N 1.41 5.50 3.77 3.14 0.00 -0.86 -4.99 105.19 113.17 2kgh n GLY 21 Ca -0.26 -2.43 -0.31 0.00 0.00 0.00 0.00 46.02 43.03 2kgh n GLY 21 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kgh s GLU 22 N -3.82 2.26 -0.23 1.61 4.04 -1.26 -4.80 118.70 116.49 2kgh s GLU 22 Ca 0.51 1.05 -0.05 0.00 0.04 0.00 0.00 54.97 56.52 2kgh s GLU 22 Cb 0.39 -1.91 -0.13 0.00 0.02 0.00 0.00 34.13 32.51 2kgh s GLU 22 CO -0.35 -1.60 -0.25 1.63 -1.84 0.00 0.00 175.26 172.85 2kgh n LYS 23 N -3.48 0.54 -0.11 -4.83 4.76 -1.26 -4.84 118.16 108.93 2kgh n LYS 23 Ca 0.08 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 2kgh n LYS 23 Cb 0.54 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.32 2kgh n LYS 23 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2kgh n LYS 24 N -3.59 0.00 -4.33 1.97 5.02 -1.26 -5.13 118.16 110.84 2kgh n LYS 24 Ca -0.43 -0.33 -0.32 0.00 -2.02 0.00 0.00 58.31 55.20 2kgh n LYS 24 Cb 0.88 -0.28 -0.09 0.00 -0.02 0.00 0.00 35.03 35.52 2kgh n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kgh s THR 26 N -1.10 -0.04 0.00 0.00 2.01 -1.26 -4.80 115.64 110.45 2kgh s THR 26 Ca 0.20 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.30 2kgh s THR 26 Cb -0.11 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.83 2kgh s THR 26 CO 0.11 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 2kgh n GLY 27 N 4.29 0.20 3.53 4.40 0.00 -1.26 -4.89 105.19 111.46 2kgh n GLY 27 Ca -0.23 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.20 2kgh n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kgh s GLY 28 N 0.00 1.25 -0.14 -0.02 0.00 -1.26 -4.40 107.32 102.75 2kgh s GLY 28 Ca 0.00 -2.03 0.02 0.00 0.00 0.00 0.00 44.72 42.71 2kgh s GLY 28 CO 0.00 2.52 -0.22 -0.98 0.00 0.00 0.00 173.10 174.43 2kgh s TRP 29 N 4.80 2.65 -0.50 1.90 0.52 -1.05 -0.29 118.94 126.97 2kgh s TRP 29 Ca 0.39 -1.35 -0.25 0.00 0.02 0.00 0.00 56.10 54.91 2kgh s TRP 29 Cb -0.05 -1.81 0.03 0.00 -1.15 0.00 0.00 33.47 30.50 2kgh s TRP 29 CO -0.01 -0.62 0.92 1.03 0.02 0.00 0.00 176.95 178.30 2kgh s ARG 30 N 0.84 3.43 0.18 4.98 0.52 0.13 0.02 118.95 129.05 2kgh s ARG 30 Ca -0.06 -0.06 -0.30 0.00 -0.52 0.00 0.00 55.73 54.79 2kgh s ARG 30 Cb -0.15 -3.99 -0.08 0.00 0.52 0.00 0.00 34.95 31.25 2kgh s ARG 30 CO -0.02 -1.34 1.05 0.00 0.02 0.00 0.00 175.30 175.00 2kgh n LYS 32 N 2.24 0.58 -0.65 0.00 3.00 0.00 -0.71 118.16 122.61 2kgh n LYS 32 Ca 0.02 -2.68 0.50 0.00 -0.00 0.00 0.00 58.31 56.14 2kgh n LYS 32 Cb 0.47 2.47 0.77 0.00 0.00 0.00 0.00 35.03 38.74 2kgh n LYS 32 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 2kgh n ILE 33 N -0.54 -0.03 -0.08 3.15 -5.35 -1.26 -1.27 119.36 113.99 2kgh n ILE 33 Ca 0.02 1.45 -0.07 0.00 -0.27 0.00 0.00 62.75 63.88 2kgh n ILE 33 Cb 0.54 -2.42 -0.03 0.00 -1.74 0.00 0.00 39.64 35.99 2kgh n ILE 33 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 2kgh h LYS 34 N 0.00 0.00 0.00 6.28 1.57 -1.97 -3.49 116.57 118.96 2kgh h LYS 34 Ca 0.89 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.67 2kgh h LYS 34 Cb 3.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.82 2kgh h LYS 34 CO -0.06 0.18 0.00 1.28 -0.57 0.00 0.00 179.45 180.28 2kgh n LEU 35 N -4.59 0.00 -4.70 2.94 4.77 -0.39 -5.09 117.00 109.94 2kgh n LEU 35 Ca -0.11 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.45 2kgh n LEU 35 Cb 0.33 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 2kgh n LEU 35 CO 0.12 0.00 0.67 0.00 -1.33 0.00 0.00 177.39 176.84 2kgh s LEU 37 N 1.51 2.00 0.07 0.00 2.96 0.14 -4.87 118.68 120.49 2kgh s LEU 37 Ca 0.46 -1.16 -0.36 0.00 -0.22 0.00 0.00 54.13 52.85 2kgh s LEU 37 Cb -0.19 -0.89 -0.19 0.00 0.50 0.00 0.00 46.19 45.42 2kgh s LEU 37 CO 0.21 -0.31 0.94 1.17 -1.32 0.00 0.00 176.35 177.04 2kgh n LYS 38 N 4.85 0.11 0.00 1.98 4.81 -1.26 0.17 118.16 128.82 2kgh n LYS 38 Ca -0.08 0.04 0.15 0.00 -0.87 0.00 0.00 58.31 57.55 2kgh n LYS 38 Cb 0.45 -1.41 0.78 0.00 0.02 0.00 0.00 35.03 34.87 2kgh n LYS 38 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08