#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6s n SER 2 N 0.00 0.17 -3.80 1.61 7.64 -1.26 -4.66 113.62 113.32 2k6s n SER 2 Ca 0.00 -0.04 -0.41 0.00 1.01 0.00 0.00 58.87 59.43 2k6s n SER 2 Cb 0.00 1.74 -0.05 0.00 -1.01 0.00 0.00 64.21 64.89 2k6s n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k6s n LEU 3 N -2.25 4.38 0.00 -3.43 -0.00 -1.26 -3.38 117.00 111.07 2k6s n LEU 3 Ca -0.03 -3.15 0.00 0.00 -0.00 0.00 0.00 56.01 52.84 2k6s n LEU 3 Cb 0.55 -1.30 0.00 0.00 -0.00 0.00 0.00 43.42 42.67 2k6s n LEU 3 CO 0.45 -0.33 0.00 0.35 -0.00 0.00 0.00 177.39 177.86 2k6s n THR 4 N 6.13 0.00 -0.33 1.47 -2.24 -1.26 -4.98 114.28 113.07 2k6s n THR 4 Ca 0.49 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 62.48 2k6s n THR 4 Cb 0.41 0.00 0.39 0.00 -2.10 0.00 0.00 70.33 69.03 2k6s n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k6s n TYR 5 N 0.00 0.81 0.31 4.78 4.19 -1.26 0.89 117.16 126.88 2k6s n TYR 5 Ca 0.00 1.18 0.16 0.00 3.31 0.00 0.00 57.90 62.55 2k6s n TYR 5 Cb 0.00 -1.35 0.66 0.00 0.49 0.00 0.00 39.34 39.14 2k6s n TYR 5 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 2k6s h GLU 6 N 0.00 0.00 0.04 2.98 5.08 -1.97 -2.51 114.58 118.20 2k6s h GLU 6 Ca 0.68 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.95 2k6s h GLU 6 Cb 1.57 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.83 2k6s h GLU 6 CO -0.87 0.00 -0.36 1.49 -1.00 0.00 0.00 179.01 178.27 2k6s h GLU 7 N 0.00 0.18 -0.20 2.33 4.22 0.49 -3.27 114.58 118.33 2k6s h GLU 7 Ca 0.00 -0.24 -0.15 0.00 0.08 0.00 0.00 59.36 59.05 2k6s h GLU 7 Cb 0.44 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2k6s h GLU 7 CO 0.00 1.05 -0.50 -0.24 -2.18 0.00 0.00 179.01 177.13 2k6s h VAL 8 N -0.58 1.32 -0.04 0.32 3.04 -1.50 -3.20 116.25 115.62 2k6s h VAL 8 Ca -0.06 -1.72 0.04 0.00 -1.01 0.00 0.00 66.70 63.95 2k6s h VAL 8 Cb 1.20 1.70 -0.05 0.00 -2.01 0.00 0.00 31.29 32.13 2k6s h VAL 8 CO 0.07 0.54 -0.33 -0.07 -1.01 0.00 0.00 177.57 176.77 2k6s h LEU 9 N 0.43 -1.00 -2.62 3.16 3.38 -1.57 -0.36 115.31 116.73 2k6s h LEU 9 Ca 0.02 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2k6s h LEU 9 Cb 1.03 0.41 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 2k6s h LEU 9 CO 0.09 -0.38 -0.01 1.56 0.09 0.00 0.00 178.44 179.79 2k6s h GLN 10 N -0.46 0.00 0.01 1.13 1.08 -1.61 -1.30 115.11 113.96 2k6s h GLN 10 Ca 0.07 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.07 2k6s h GLN 10 Cb 0.57 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 2k6s h GLN 10 CO -0.30 0.01 -0.91 0.93 -0.95 0.00 0.00 178.83 177.62 2k6s h GLU 11 N 0.00 0.06 0.00 1.46 5.08 -1.09 -2.16 114.58 117.93 2k6s h GLU 11 Ca -0.00 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2k6s h GLU 11 Cb 0.07 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2k6s h GLU 11 CO 0.00 0.93 -0.00 1.25 -1.00 0.00 0.00 179.01 180.19 2k6s h LEU 12 N 0.03 -0.00 -0.24 1.33 7.12 -0.31 -2.24 115.31 121.00 2k6s h LEU 12 Ca -0.03 -0.66 0.00 0.00 0.13 0.00 0.00 57.88 57.33 2k6s h LEU 12 Cb 1.59 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.72 2k6s h LEU 12 CO 0.13 0.66 0.00 0.55 -0.13 0.00 0.00 178.44 179.64 2k6s n VAL 13 N -4.78 0.96 -0.09 1.05 3.14 -0.93 -2.45 118.33 115.23 2k6s n VAL 13 Ca -0.09 0.25 -0.18 0.00 -2.96 0.00 0.00 64.34 61.36 2k6s n VAL 13 Cb 0.33 -1.07 -0.12 0.00 -1.06 0.00 0.00 33.84 31.92 2k6s n VAL 13 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 2k6s h LYS 14 N 0.00 0.00 0.45 1.45 3.64 -1.32 -3.27 116.57 117.53 2k6s h LYS 14 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2k6s h LYS 14 Cb 0.28 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2k6s h LYS 14 CO 0.00 0.99 -0.33 0.45 -2.27 0.00 0.00 179.45 178.29 2k6s h HIS 15 N -1.00 -0.90 -0.90 1.91 3.86 -1.29 -0.80 115.15 116.04 2k6s h HIS 15 Ca -0.20 -0.00 0.24 0.00 -1.16 0.00 0.00 60.37 59.25 2k6s h HIS 15 Cb 1.16 0.33 -0.16 0.00 1.06 0.00 0.00 27.41 29.81 2k6s h HIS 15 CO 0.17 -0.47 0.09 0.87 0.86 0.00 0.00 177.93 179.45 2k6s h LYS 16 N -0.75 0.08 -0.25 2.45 1.57 -1.69 0.33 116.57 118.31 2k6s h LYS 16 Ca -0.06 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 2k6s h LYS 16 Cb 0.62 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 2k6s h LYS 16 CO 0.03 0.06 -0.38 1.49 -0.57 0.00 0.00 179.45 180.07 2k6s h GLU 17 N 0.09 0.58 -0.79 3.15 4.22 -1.57 -1.72 114.58 118.54 2k6s h GLU 17 Ca 0.55 -0.28 -0.04 0.00 0.08 0.00 0.00 59.36 59.66 2k6s h GLU 17 Cb 1.10 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 2k6s h GLU 17 CO -0.78 0.87 0.34 -0.07 -2.18 0.00 0.00 179.01 177.19 2k6s h LEU 18 N 0.48 1.07 -0.83 1.64 3.38 0.11 -1.56 115.31 119.60 2k6s h LEU 18 Ca 0.05 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 2k6s h LEU 18 Cb 0.88 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2k6s h LEU 18 CO 0.08 0.93 -0.39 -0.07 0.09 0.00 0.00 178.44 179.07 2k6s h LEU 19 N 1.13 0.41 0.73 1.67 3.38 -0.85 -2.67 115.31 119.11 2k6s h LEU 19 Ca 0.27 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2k6s h LEU 19 Cb 0.17 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.82 2k6s h LEU 19 CO -0.03 0.77 -0.35 0.03 0.09 0.00 0.00 178.44 178.95 2k6s h ARG 20 N 0.33 -0.94 -0.90 1.13 2.47 -0.71 -3.15 114.38 112.61 2k6s h ARG 20 Ca 0.03 0.06 0.18 0.00 -1.26 0.00 0.00 59.98 59.00 2k6s h ARG 20 Cb 0.84 0.21 -0.11 0.00 -1.65 0.00 0.00 29.97 29.27 2k6s h ARG 20 CO 0.07 -0.63 0.47 -0.09 0.56 0.00 0.00 179.97 180.35 2k6s h ARG 21 N -1.16 0.57 -0.83 0.04 2.43 -1.36 -0.70 114.38 113.37 2k6s h ARG 21 Ca -0.10 -0.03 0.20 0.00 -0.81 0.00 0.00 59.98 59.24 2k6s h ARG 21 Cb 0.75 -0.13 -0.14 0.00 -0.42 0.00 0.00 29.97 30.03 2k6s h ARG 21 CO 0.16 0.38 0.09 -0.22 -1.51 0.00 0.00 179.97 178.87 2k6s h LYS 22 N 0.59 0.13 0.49 0.20 3.64 -1.43 0.68 116.57 120.87 2k6s h LYS 22 Ca 0.52 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.87 2k6s h LYS 22 Cb 0.84 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2k6s h LYS 22 CO -0.42 0.09 -0.24 -0.44 -2.27 0.00 0.00 179.45 176.17 2k6s h ASP 23 N 0.13 -0.56 -1.08 4.20 5.19 -1.14 -2.80 116.42 120.38 2k6s h ASP 23 Ca 0.48 0.02 0.32 0.00 -0.62 0.00 0.00 57.03 57.23 2k6s h ASP 23 Cb 0.91 0.14 -0.13 0.00 0.18 0.00 0.00 39.33 40.44 2k6s h ASP 23 CO -0.69 -0.15 0.65 0.74 -3.12 0.00 0.00 179.24 176.67 2k6s h THR 24 N -1.15 0.34 -0.27 0.35 2.02 -0.76 0.58 112.91 114.02 2k6s h THR 24 Ca -0.07 -0.11 -0.11 0.00 0.77 0.00 0.00 66.41 66.89 2k6s h THR 24 Cb 0.51 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2k6s h THR 24 CO 0.11 0.06 -0.26 -0.74 0.37 0.00 0.00 175.52 175.06 2k6s h HIS 25 N 0.32 0.78 -0.36 3.16 6.17 0.32 -0.42 115.15 125.12 2k6s h HIS 25 Ca 0.71 -0.23 -0.06 0.00 0.71 0.00 0.00 60.37 61.50 2k6s h HIS 25 Cb 1.77 -0.17 -0.01 0.00 2.52 0.00 0.00 27.41 31.52 2k6s h HIS 25 CO -0.01 0.96 -0.00 -0.84 0.71 0.00 0.00 177.93 178.75 2k6s h ILE 26 N 0.38 1.26 -0.42 6.26 3.07 -0.69 -1.02 117.51 126.35 2k6s h ILE 26 Ca 0.04 -0.99 0.01 0.00 1.55 0.00 0.00 64.86 65.48 2k6s h ILE 26 Cb 0.82 1.19 -0.02 0.00 -0.27 0.00 0.00 36.82 38.54 2k6s h ILE 26 CO 0.06 0.33 0.27 -0.09 -1.05 0.00 0.00 178.15 177.67 2k6s h ARG 27 N 0.45 0.53 -0.21 0.16 2.43 -1.02 -0.72 114.38 115.99 2k6s h ARG 27 Ca 0.10 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2k6s h ARG 27 Cb 0.47 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2k6s h ARG 27 CO 0.02 0.35 0.05 1.05 -1.51 0.00 0.00 179.97 179.93 2k6s h GLU 28 N 0.54 0.34 0.00 0.20 -0.00 -0.98 -2.07 114.58 112.61 2k6s h GLU 28 Ca 0.16 -0.08 0.00 0.00 -0.00 0.00 0.00 59.36 59.44 2k6s h GLU 28 Cb -0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 28.68 2k6s h GLU 28 CO -0.05 0.47 0.00 -0.11 -0.00 0.00 0.00 179.01 179.31 2k6s n LEU 29 N -4.75 0.00 0.13 3.06 7.94 -0.39 -1.64 117.00 121.34 2k6s n LEU 29 Ca -0.04 0.49 0.01 0.00 -1.11 0.00 0.00 56.01 55.36 2k6s n LEU 29 Cb 0.18 -0.49 -0.00 0.00 0.53 0.00 0.00 43.42 43.63 2k6s n LEU 29 CO 0.36 -0.35 0.41 -0.33 -1.11 0.00 0.00 177.39 176.37 2k6s h GLU 30 N 0.00 0.00 0.00 1.96 4.39 -0.39 -3.11 114.58 117.43 2k6s h GLU 30 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2k6s h GLU 30 Cb 0.14 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2k6s h GLU 30 CO 0.00 0.59 -0.07 -0.44 -1.16 0.00 0.00 179.01 177.93 2k6s h ASP 31 N 0.00 0.00 0.16 1.42 5.19 -1.31 -2.56 116.42 119.33 2k6s h ASP 31 Ca -0.01 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.15 2k6s h ASP 31 Cb 1.46 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.98 2k6s h ASP 31 CO 0.08 0.05 -1.03 1.88 -3.12 0.00 0.00 179.24 177.09 2k6s h TYR 32 N 0.00 0.86 0.00 4.55 0.05 -1.58 -3.14 116.97 117.72 2k6s h TYR 32 Ca -0.00 -0.48 0.00 0.00 0.05 0.00 0.00 58.73 58.30 2k6s h TYR 32 Cb 1.04 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.68 2k6s h TYR 32 CO 0.00 1.31 -0.09 -0.89 -1.05 0.00 0.00 178.16 177.45 2k6s n ILE 33 N -3.80 0.55 0.15 -2.88 5.41 -1.18 -3.45 119.36 114.15 2k6s n ILE 33 Ca -0.10 -0.28 -0.00 0.00 1.00 0.00 0.00 62.75 63.37 2k6s n ILE 33 Cb 0.88 -0.52 0.23 0.00 -0.71 0.00 0.00 39.64 39.52 2k6s n ILE 33 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2k6s h ASP 34 N 0.00 0.03 -1.05 4.38 3.58 -1.40 -3.12 116.42 118.85 2k6s h ASP 34 Ca 0.00 -0.02 0.30 0.00 0.42 0.00 0.00 57.03 57.73 2k6s h ASP 34 Cb 0.73 -0.01 -0.13 0.00 1.72 0.00 0.00 39.33 41.65 2k6s h ASP 34 CO 0.00 0.56 0.64 0.78 -2.88 0.00 0.00 179.24 178.33 2k6s h ASN 35 N 0.02 0.52 -0.39 2.28 2.35 -1.61 0.60 115.58 119.35 2k6s h ASN 35 Ca -0.00 0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 2k6s h ASN 35 Cb 0.94 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.37 2k6s h ASN 35 CO 0.07 -0.01 0.05 -0.07 -1.65 0.00 0.00 177.43 175.82 2k6s h LEU 36 N 0.39 0.63 -5.25 1.61 3.38 -1.79 -3.29 115.31 111.00 2k6s h LEU 36 Ca 0.68 -0.27 -0.59 0.00 0.09 0.00 0.00 57.88 57.78 2k6s h LEU 36 Cb 1.60 -0.17 -0.42 0.00 0.09 0.00 0.00 40.66 41.76 2k6s h LEU 36 CO -0.47 0.74 -0.61 0.00 0.09 0.00 0.00 178.44 178.20 2k6s n LEU 37 N -4.52 4.58 0.00 1.67 -0.00 0.15 -5.03 117.00 113.86 2k6s n LEU 37 Ca -0.01 -5.65 -0.09 0.00 -0.00 0.00 0.00 56.01 50.26 2k6s n LEU 37 Cb 0.24 -0.57 0.02 0.00 -0.00 0.00 0.00 43.42 43.11 2k6s n LEU 37 CO 0.39 2.34 0.43 0.55 -0.00 0.00 0.00 177.39 181.11 2k6s n VAL 38 N -0.26 0.00 -2.63 1.47 3.14 0.16 -4.88 118.33 115.33 2k6s n VAL 38 Ca 0.32 -1.08 -0.42 0.00 -2.96 0.00 0.00 64.34 60.20 2k6s n VAL 38 Cb 0.41 0.95 -0.03 0.00 -1.06 0.00 0.00 33.84 34.11 2k6s n VAL 38 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 2k6s s ARG 39 N -2.22 3.24 0.56 1.45 6.06 -1.26 -4.89 118.95 121.89 2k6s s ARG 39 Ca 0.17 -0.26 -0.16 0.00 -2.50 0.00 0.00 55.73 52.98 2k6s s ARG 39 Cb -0.04 -4.15 -0.05 0.00 0.06 0.00 0.00 34.95 30.76 2k6s s ARG 39 CO 0.13 -1.97 1.03 0.14 -2.50 0.00 0.00 175.30 172.13 2k6s s VAL 40 N 5.21 4.09 0.00 7.11 -7.23 -1.26 -5.04 120.40 123.27 2k6s s VAL 40 Ca 0.34 1.00 0.00 0.00 -1.81 0.00 0.00 61.98 61.51 2k6s s VAL 40 Cb -0.10 -3.51 0.00 0.00 0.56 0.00 0.00 36.38 33.33 2k6s s VAL 40 CO 0.16 -0.57 0.49 1.15 -0.31 0.00 0.00 175.10 176.03