#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k35 s ILE 2 N 0.00 2.26 -0.32 5.09 -4.36 -1.26 -4.66 121.20 117.94 2k35 s ILE 2 Ca 0.00 -2.19 -0.03 0.00 -0.26 0.00 0.00 60.65 58.18 2k35 s ILE 2 Cb 0.00 -2.67 0.00 0.00 1.25 0.00 0.00 42.46 41.05 2k35 s ILE 2 CO 0.00 -0.20 0.10 0.52 0.24 0.00 0.00 174.94 175.61 2k35 n VAL 3 N -0.81-11.66 -3.76 8.37 0.31 -1.26 -4.94 118.33 104.58 2k35 n VAL 3 Ca -0.05 1.65 -0.13 0.00 -0.01 0.00 0.00 64.34 65.80 2k35 n VAL 3 Cb 0.63 -6.94 -0.13 0.00 -0.91 0.00 0.00 33.84 26.50 2k35 n VAL 3 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2k35 s ASP 4 N -1.77 -0.22 0.08 4.52 1.01 -1.02 -4.38 116.67 114.89 2k35 s ASP 4 Ca 0.04 0.45 -0.03 0.00 0.71 0.00 0.00 52.55 53.73 2k35 s ASP 4 Cb -0.01 0.38 -0.03 0.00 1.01 0.00 0.00 42.92 44.26 2k35 s ASP 4 CO 0.76 -0.13 0.04 0.00 0.21 0.00 0.00 175.17 176.06 2k35 n TRP 6 N 0.02 -1.11 0.00 0.00 7.02 0.63 -3.60 117.44 120.40 2k35 n TRP 6 Ca -0.12 -0.21 0.00 0.00 -1.02 0.00 0.00 57.50 56.15 2k35 n TRP 6 Cb 0.62 0.10 0.00 0.00 -2.42 0.00 0.00 31.31 29.61 2k35 n TRP 6 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 2k35 n GLU 7 N -0.06 0.00 -2.34 -0.99 2.13 -1.26 -3.15 120.64 114.96 2k35 n GLU 7 Ca -0.01 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.52 2k35 n GLU 7 Cb 0.07 -0.16 -0.00 0.00 0.27 0.00 0.00 31.44 31.61 2k35 n GLU 7 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2k35 s THR 8 N 0.00 4.80 0.19 6.31 -4.23 -1.26 -4.80 115.64 116.65 2k35 s THR 8 Ca 0.00 0.56 -0.16 0.00 -1.18 0.00 0.00 61.69 60.91 2k35 s THR 8 Cb 0.00 -3.85 0.16 0.00 1.34 0.00 0.00 72.50 70.15 2k35 s THR 8 CO 0.00 -0.93 1.65 -0.25 -0.54 0.00 0.00 174.62 174.55 2k35 h TRP 9 N 0.14 -0.30 0.04 3.99 2.91 -1.95 0.19 115.95 120.97 2k35 h TRP 9 Ca -0.46 0.05 0.02 0.00 1.13 0.00 0.00 58.89 59.63 2k35 h TRP 9 Cb 1.20 0.21 -0.04 0.00 -0.51 0.00 0.00 29.16 30.02 2k35 h TRP 9 CO 0.62 -0.23 -0.24 0.77 -1.03 0.00 0.00 178.44 178.33 2k35 h SER 10 N -0.01 -0.68 0.35 2.65 0.02 -1.99 -1.04 113.55 112.84 2k35 h SER 10 Ca 0.24 0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.23 2k35 h SER 10 Cb 0.38 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2k35 h SER 10 CO -0.53 -0.31 -0.27 -0.09 -1.14 0.00 0.00 176.83 174.48 2k35 h ARG 11 N -0.39 0.00 -0.57 3.45 9.65 -1.83 0.11 114.38 124.80 2k35 h ARG 11 Ca 0.05 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.82 2k35 h ARG 11 Cb 0.45 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.01 2k35 h ARG 11 CO -0.18 0.27 -0.08 0.00 2.80 0.00 0.00 179.97 182.78 2k35 n THR 13 N -4.15 1.73 0.13 0.00 -2.24 -0.48 -4.22 114.28 105.05 2k35 n THR 13 Ca 0.02 -0.69 0.01 0.00 -2.27 0.00 0.00 64.05 61.12 2k35 n THR 13 Cb 0.39 -1.55 0.02 0.00 -2.10 0.00 0.00 70.33 67.09 2k35 n THR 13 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2k35 h LYS 14 N 0.05 0.00 -5.28 -0.78 1.79 -0.86 -1.42 116.57 110.08 2k35 h LYS 14 Ca -0.40 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.40 2k35 h LYS 14 Cb 2.03 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 32.56 2k35 h LYS 14 CO 0.08 0.56 -0.47 -1.58 -1.08 0.00 0.00 179.45 176.96 2k35 s TRP 15 N -2.95 1.74 -0.30 -1.35 0.52 -0.00 -4.40 118.94 112.19 2k35 s TRP 15 Ca 0.04 -0.97 -0.06 0.00 0.02 0.00 0.00 56.10 55.12 2k35 s TRP 15 Cb 0.08 -1.64 0.16 0.00 -1.15 0.00 0.00 33.47 30.91 2k35 s TRP 15 CO 0.75 0.08 0.63 -1.12 0.02 0.00 0.00 176.95 177.31 2k35 s SER 16 N -3.97 -1.25 0.34 2.95 0.01 -1.26 -3.18 113.70 107.34 2k35 s SER 16 Ca 0.07 1.28 0.09 0.00 1.31 0.00 0.00 55.95 58.70 2k35 s SER 16 Cb 0.00 2.25 0.82 0.00 0.21 0.00 0.00 66.02 69.30 2k35 s SER 16 CO 0.04 -0.24 1.83 -0.61 0.41 0.00 0.00 173.24 174.68 2k35 h GLN 17 N 8.00 0.67 0.00 12.44 5.75 -1.91 0.61 115.11 140.67 2k35 h GLN 17 Ca -0.20 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.26 2k35 h GLN 17 Cb 1.13 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.52 2k35 h GLN 17 CO 0.17 0.44 0.00 0.41 -2.65 0.00 0.00 178.83 177.20 2k35 n GLY 18 N -1.41 -0.89 0.14 2.39 0.00 -1.26 -1.75 105.19 102.41 2k35 n GLY 18 Ca 0.20 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 2k35 n GLY 18 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k35 h GLY 19 N 1.23 0.30 0.00 -0.02 0.00 -1.03 -3.47 103.07 100.09 2k35 h GLY 19 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2k35 h GLY 19 CO 0.00 0.45 0.00 2.41 0.00 0.00 0.00 176.54 179.40 2k35 n THR 20 N -3.71 0.00 0.00 4.70 -1.04 -0.72 -3.58 114.28 109.92 2k35 n THR 20 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2k35 n THR 20 Cb 0.79 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.30 2k35 n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k35 n GLY 21 N 0.00 0.79 0.30 3.41 0.00 -1.26 -4.97 105.19 103.46 2k35 n GLY 21 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2k35 n GLY 21 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k35 n THR 22 N 0.00 0.00 0.11 2.61 5.66 -1.26 -4.45 114.28 116.94 2k35 n THR 22 Ca 0.00 -0.30 -0.08 0.00 -3.05 0.00 0.00 64.05 60.61 2k35 n THR 22 Cb 0.00 1.16 0.08 0.00 -1.55 0.00 0.00 70.33 70.02 2k35 n THR 22 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2k35 n LEU 23 N -0.33 4.36 0.11 1.09 4.77 -1.24 -4.24 117.00 121.53 2k35 n LEU 23 Ca 0.06 -2.27 -0.22 0.00 -0.03 0.00 0.00 56.01 53.55 2k35 n LEU 23 Cb 0.32 -0.63 -0.14 0.00 -2.33 0.00 0.00 43.42 40.64 2k35 n LEU 23 CO 0.22 0.69 -0.11 4.11 -1.33 0.00 0.00 177.39 180.97 2k35 h TRP 24 N 0.53 0.95 0.00 -1.77 0.09 -1.78 -3.37 115.95 110.61 2k35 h TRP 24 Ca 0.23 -0.63 0.00 0.00 0.09 0.00 0.00 58.89 58.58 2k35 h TRP 24 Cb 1.70 -0.06 0.00 0.00 0.08 0.00 0.00 29.16 30.87 2k35 h TRP 24 CO 0.63 1.48 0.00 1.63 0.09 0.00 0.00 178.44 182.27 2k35 n LYS 25 N -3.74 0.00 0.00 0.12 5.02 -1.26 -4.45 118.16 113.85 2k35 n LYS 25 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 2k35 n LYS 25 Cb 1.03 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.04 2k35 n LYS 25 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2k35 n SER 26 N 4.12 0.00 0.03 4.39 2.88 -1.26 -4.80 113.62 118.98 2k35 n SER 26 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 2k35 n SER 26 Cb 0.00 0.00 0.43 0.00 -0.75 0.00 0.00 64.21 63.89 2k35 n SER 26 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k35 h ASN 28 N 0.48 0.40 0.16 0.00 -1.24 -1.86 -0.79 115.58 112.72 2k35 h ASN 28 Ca 0.12 -0.28 -0.12 0.00 0.71 0.00 0.00 56.30 56.73 2k35 h ASN 28 Cb 0.01 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 38.94 2k35 h ASN 28 CO -0.02 0.58 -0.45 -0.78 -1.29 0.00 0.00 177.43 175.47 2k35 h ASP 29 N 0.21 0.38 -0.26 1.15 3.58 -1.69 -2.62 116.42 117.16 2k35 h ASP 29 Ca 0.07 -0.17 -0.06 0.00 0.42 0.00 0.00 57.03 57.29 2k35 h ASP 29 Cb 0.36 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 2k35 h ASP 29 CO 0.01 0.78 -0.03 0.03 -2.88 0.00 0.00 179.24 177.15 2k35 h ARG 30 N 0.29 0.60 -0.00 0.28 3.08 0.11 -1.81 114.38 116.93 2k35 h ARG 30 Ca 0.02 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 59.81 2k35 h ARG 30 Cb 0.91 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 2k35 h ARG 30 CO 0.08 0.65 -0.54 0.00 -1.07 0.00 0.00 179.97 179.09 2k35 h LYS 32 N 0.01 0.21 0.00 0.00 1.57 -0.98 -1.40 116.57 115.98 2k35 h LYS 32 Ca -0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2k35 h LYS 32 Cb 0.95 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 2k35 h LYS 32 CO 0.07 0.43 -0.01 0.93 -0.57 0.00 0.00 179.45 180.30 2k35 h GLU 33 N 0.20 0.00 -0.15 3.15 5.08 -1.11 -1.54 114.58 120.21 2k35 h GLU 33 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2k35 h GLU 33 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2k35 h GLU 33 CO 0.03 0.01 0.00 1.28 -1.00 0.00 0.00 179.01 179.33 2k35 n LEU 34 N -3.11 1.65 0.00 1.33 4.77 -0.59 -4.88 117.00 116.17 2k35 n LEU 34 Ca 0.00 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 2k35 n LEU 34 Cb 0.28 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2k35 n LEU 34 CO 0.27 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2k35 n GLY 35 N 1.14 0.78 2.21 -0.72 0.00 -0.58 -5.07 105.19 102.94 2k35 n GLY 35 Ca 0.17 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 2k35 n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k35 n ARG 36 N -2.41 0.82 0.00 1.61 5.12 -0.85 -5.01 116.66 115.94 2k35 n ARG 36 Ca 0.00 -1.80 0.00 0.00 -1.93 0.00 0.00 57.85 54.12 2k35 n ARG 36 Cb 0.00 -0.08 0.00 0.00 -1.16 0.00 0.00 32.46 31.22 2k35 n ARG 36 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2k35 n LYS 37 N -1.63 0.38 -3.95 5.56 4.81 -1.26 -4.06 118.16 118.00 2k35 n LYS 37 Ca 0.07 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.27 2k35 n LYS 37 Cb 0.34 -0.81 -0.05 0.00 0.02 0.00 0.00 35.03 34.53 2k35 n LYS 37 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2k35 s ARG 38 N -1.62 2.32 -0.28 1.64 0.52 -1.26 -4.80 118.95 115.47 2k35 s ARG 38 Ca 0.00 -1.80 0.01 0.00 -0.52 0.00 0.00 55.73 53.42 2k35 s ARG 38 Cb 0.00 -2.10 0.16 0.00 0.52 0.00 0.00 34.95 33.53 2k35 s ARG 38 CO 0.00 -0.22 0.43 0.20 0.02 0.00 0.00 175.30 175.73 2k35 s GLY 39 N -4.02 -0.63 0.82 -3.53 0.00 -1.26 -0.19 107.32 98.51 2k35 s GLY 39 Ca 0.41 0.62 -0.11 0.00 0.00 0.00 0.00 44.72 45.64 2k35 s GLY 39 CO 0.23 3.03 1.17 1.20 0.00 0.00 0.00 173.10 178.73 2k35 s GLN 40 N 2.60 1.70 -0.25 2.90 -1.52 0.73 -4.71 119.66 121.11 2k35 s GLN 40 Ca 0.11 -0.15 0.02 0.00 -1.95 0.00 0.00 55.36 53.39 2k35 s GLN 40 Cb -0.13 -1.99 0.06 0.00 -0.22 0.00 0.00 33.01 30.73 2k35 s GLN 40 CO -0.25 -1.70 -0.07 0.00 -0.25 0.00 0.00 175.29 173.02 2k35 s GLU 42 N 1.29 0.31 0.00 0.00 2.12 -0.46 -4.95 118.70 117.02 2k35 s GLU 42 Ca -0.06 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 54.94 2k35 s GLU 42 Cb -0.19 0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.32 2k35 s GLU 42 CO -0.06 -0.06 0.84 -1.91 -0.54 0.00 0.00 175.26 173.53 2k35 n GLU 43 N 1.96 0.00 -2.90 4.30 2.13 -1.26 0.67 120.64 125.53 2k35 n GLU 43 Ca -0.20 0.66 -0.14 0.00 0.66 0.00 0.00 57.16 58.14 2k35 n GLU 43 Cb 0.56 -1.34 0.01 0.00 0.27 0.00 0.00 31.44 30.94 2k35 n GLU 43 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2k35 n LYS 44 N -2.07 -0.81 -0.35 5.31 4.76 -1.26 -2.43 118.16 121.30 2k35 n LYS 44 Ca 0.00 0.87 -0.30 0.00 -2.87 0.00 0.00 58.31 56.01 2k35 n LYS 44 Cb 0.00 -1.18 0.29 0.00 -1.84 0.00 0.00 35.03 32.30 2k35 n LYS 44 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2k35 s PRO 45 N -1.36 -2.91 -0.34 1.97 0.04 -1.26 -4.29 135.00 126.85 2k35 s PRO 45 Ca 0.14 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.37 2k35 s PRO 45 Cb -0.01 -1.37 0.00 0.00 0.04 0.00 0.00 34.50 33.15 2k35 s PRO 45 CO 0.32 -4.88 0.00 0.43 0.04 0.00 0.00 177.00 172.91 2k35 n SER 46 N -5.64 -3.10 -0.88 6.66 7.64 -1.26 -4.86 113.62 112.17 2k35 n SER 46 Ca 0.12 0.07 -0.01 0.00 1.01 0.00 0.00 58.87 60.06 2k35 n SER 46 Cb 0.60 -1.20 -0.01 0.00 -1.01 0.00 0.00 64.21 62.58 2k35 n SER 46 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2k35 n ARG 47 N -2.60 0.00 -4.05 1.43 0.63 -1.26 -5.07 116.66 105.75 2k35 n ARG 47 Ca -0.03 -1.04 -0.33 0.00 -0.92 0.00 0.00 57.85 55.53 2k35 n ARG 47 Cb 0.19 -0.02 -0.15 0.00 0.45 0.00 0.00 32.46 32.93 2k35 n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k35 h PRO 49 N 7.86 -0.98 -4.87 0.00 0.11 -1.93 -3.47 132.00 128.72 2k35 h PRO 49 Ca -0.26 0.07 -0.28 0.00 0.11 0.00 0.00 66.00 65.64 2k35 h PRO 49 Cb 1.07 0.22 -0.15 0.00 0.11 0.00 0.00 31.00 32.26 2k35 h PRO 49 CO 0.52 -0.66 -0.70 -0.51 -0.21 0.00 0.00 178.00 176.44 2k35 s LEU 50 N -8.53 2.48 0.16 2.35 1.43 -1.26 -5.11 118.68 110.19 2k35 s LEU 50 Ca -0.15 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 51.92 2k35 s LEU 50 Cb 0.02 -0.20 0.00 0.00 0.03 0.00 0.00 46.19 46.03 2k35 s LEU 50 CO 0.45 -0.41 0.00 -1.20 0.23 0.00 0.00 176.35 175.42 2k35 n SER 51 N -0.14 -3.05 -2.04 2.29 7.64 -1.26 -4.42 113.62 112.63 2k35 n SER 51 Ca -0.11 0.31 -0.22 0.00 1.01 0.00 0.00 58.87 59.87 2k35 n SER 51 Cb 0.61 -1.62 0.11 0.00 -1.01 0.00 0.00 64.21 62.30 2k35 n SER 51 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2k35 n LYS 52 N -2.82 2.12 0.24 1.43 5.02 -1.26 -4.51 118.16 118.38 2k35 n LYS 52 Ca -0.01 -2.45 -0.13 0.00 -2.02 0.00 0.00 58.31 53.70 2k35 n LYS 52 Cb 0.24 -1.96 -0.07 0.00 -0.02 0.00 0.00 35.03 33.21 2k35 n LYS 52 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2k35 h LYS 53 N 1.18 -0.62 0.00 1.97 1.57 -1.82 -3.46 116.57 115.40 2k35 h LYS 53 Ca 0.49 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 2k35 h LYS 53 Cb 1.83 0.14 0.00 0.00 0.08 0.00 0.00 32.23 34.28 2k35 h LYS 53 CO 1.03 -0.31 0.00 0.00 -0.57 0.00 0.00 179.45 179.59 2k35 n ALA 54 N -2.61 0.00 -1.49 3.86 0.00 -1.26 -4.66 120.51 114.35 2k35 n ALA 54 Ca -0.10 0.00 -0.60 0.00 0.00 0.00 0.00 53.44 52.74 2k35 n ALA 54 Cb 0.30 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.66 2k35 n ALA 54 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2k35 n TRP 55 N 0.00 1.55 -4.29 0.00 7.02 -1.19 -4.59 117.44 115.95 2k35 n TRP 55 Ca 0.00 0.72 -0.23 0.00 -1.02 0.00 0.00 57.50 56.96 2k35 n TRP 55 Cb 0.00 -2.36 -0.08 0.00 -2.42 0.00 0.00 31.31 26.46 2k35 n TRP 55 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 2k35 s THR 56 N 5.12 3.10 -0.57 -0.99 -1.32 0.21 -0.27 115.64 120.92 2k35 s THR 56 Ca 1.11 -1.93 -0.23 0.00 -1.21 0.00 0.00 61.69 59.43 2k35 s THR 56 Cb -1.30 -2.81 0.05 0.00 -1.51 0.00 0.00 72.50 66.93 2k35 s THR 56 CO 0.66 -0.30 0.90 0.00 -2.21 0.00 0.00 174.62 173.67 2k35 s ILE 58 N 3.77 3.36 0.04 0.00 -1.09 0.15 -4.70 121.20 122.73 2k35 s ILE 58 Ca 0.26 0.22 -0.30 0.00 -2.23 0.00 0.00 60.65 58.60 2k35 s ILE 58 Cb -0.15 -3.92 -0.08 0.00 -1.58 0.00 0.00 42.46 36.73 2k35 s ILE 58 CO 0.16 -0.88 1.67 0.00 -1.23 0.00 0.00 174.94 174.65