#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 0.44 -3.62 1.61 7.64 -1.26 -4.59 113.62 113.84 2k6s n SER 2 Ca 0.00 0.21 -0.43 0.00 1.01 0.00 0.00 58.87 59.66 2k6s n SER 2 Cb 0.00 0.52 -0.05 0.00 -1.01 0.00 0.00 64.21 63.67 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 -2.86 4.37 0.00 -3.43 -0.00 -1.26 -3.47 117.00 110.35 2k6s n LEU 3 Ca -0.23 -3.01 0.00 0.00 -0.00 0.00 0.00 56.01 52.77 2k6s n LEU 3 Cb 1.06 -1.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.32 2k6s n LEU 3 CO 0.44 -0.20 0.00 0.35 -0.00 0.00 0.00 177.39 177.97 2k6s n THR 4 N 5.88 0.00 -0.35 1.47 -2.24 -1.26 -4.96 114.28 112.82 2k6s n THR 4 Ca 0.50 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 62.20 2k6s n THR 4 Cb 0.40 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.57 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 -0.29 -0.08 4.78 9.36 -1.26 0.12 117.16 129.78 2k6s n TYR 5 Ca 0.00 1.05 0.24 0.00 3.32 0.00 0.00 57.90 62.51 2k6s n TYR 5 Cb 0.00 -0.62 0.71 0.00 -0.63 0.00 0.00 39.34 38.80 2k6s n TYR 5 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 2k6s h GLU 6 N 0.00 0.00 0.08 2.98 4.81 -1.96 -2.39 114.58 118.10 2k6s h GLU 6 Ca 0.17 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2k6s h GLU 6 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2k6s h GLU 6 CO -0.80 0.00 -0.04 1.49 -0.73 0.00 0.00 179.01 178.94 2k6s h GLU 7 N 0.00 -0.10 -0.76 1.92 4.22 0.91 -3.27 114.58 117.50 2k6s h GLU 7 Ca 0.33 0.01 0.22 0.00 0.08 0.00 0.00 59.36 60.00 2k6s h GLU 7 Cb 1.35 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.59 2k6s h GLU 7 CO -0.00 0.43 0.54 -0.24 -2.18 0.00 0.00 179.01 177.56 2k6s h VAL 8 N -0.90 0.63 0.74 0.32 3.04 -0.82 -1.53 116.25 117.73 2k6s h VAL 8 Ca -0.01 -0.01 -0.04 0.00 -1.01 0.00 0.00 66.70 65.63 2k6s h VAL 8 Cb 0.58 0.59 0.01 0.00 -2.01 0.00 0.00 31.29 30.46 2k6s h VAL 8 CO 0.02 0.01 -0.36 -0.07 -1.01 0.00 0.00 177.57 176.16 2k6s h LEU 9 N 0.03 -0.85 -1.02 3.16 3.38 -1.53 -2.85 115.31 115.65 2k6s h LEU 9 Ca 0.36 0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.66 2k6s h LEU 9 Cb 1.41 0.22 -0.14 0.00 0.09 0.00 0.00 40.66 42.24 2k6s h LEU 9 CO -0.02 -0.56 0.58 1.56 0.09 0.00 0.00 178.44 180.09 2k6s h GLN 10 N -1.07 0.35 -0.01 1.13 1.08 -1.33 1.00 115.11 116.26 2k6s h GLN 10 Ca -0.10 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.08 2k6s h GLN 10 Cb 0.78 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.13 2k6s h GLN 10 CO 0.17 0.23 0.00 0.93 -0.95 0.00 0.00 178.83 179.21 2k6s h GLU 11 N 0.36 0.01 -0.73 1.46 5.08 -1.38 -1.04 114.58 118.34 2k6s h GLU 11 Ca 0.72 -0.00 0.16 0.00 -1.00 0.00 0.00 59.36 59.24 2k6s h GLU 11 Cb 1.63 -0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.75 2k6s h GLU 11 CO -0.58 0.03 -0.08 1.25 -1.00 0.00 0.00 179.01 178.63 2k6s h LEU 12 N -0.02 -0.49 -0.66 1.33 7.12 -0.58 0.23 115.31 122.23 2k6s h LEU 12 Ca 0.00 0.20 -0.14 0.00 0.13 0.00 0.00 57.88 58.07 2k6s h LEU 12 Cb 0.03 0.39 -0.01 0.00 -0.53 0.00 0.00 40.66 40.53 2k6s h LEU 12 CO -0.00 -0.20 -0.61 1.62 -0.13 0.00 0.00 178.44 179.12 2k6s h VAL 13 N 0.05 1.39 0.83 1.05 3.04 -1.38 -1.44 116.25 119.79 2k6s h VAL 13 Ca 0.37 -1.99 -0.04 0.00 -1.01 0.00 0.00 66.70 64.04 2k6s h VAL 13 Cb 0.62 2.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.92 2k6s h VAL 13 CO -0.69 0.59 -0.46 0.50 -1.01 0.00 0.00 177.57 176.50 2k6s h LYS 14 N 0.16 -1.15 -0.84 4.17 3.64 0.70 0.00 116.57 123.26 2k6s h LYS 14 Ca -0.01 0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2k6s h LYS 14 Cb 1.11 0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 33.14 2k6s h LYS 14 CO 0.09 -0.77 0.55 0.45 -2.27 0.00 0.00 179.45 177.50 2k6s h HIS 15 N -1.19 1.03 0.30 1.91 3.86 -0.99 0.32 115.15 120.40 2k6s h HIS 15 Ca -0.11 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2k6s h HIS 15 Cb 0.94 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 29.04 2k6s h HIS 15 CO -0.07 0.62 -0.44 -0.22 0.86 0.00 0.00 177.93 178.68 2k6s h LYS 16 N 1.09 -0.75 -0.31 2.45 3.64 -1.01 0.07 116.57 121.75 2k6s h LYS 16 Ca 0.32 0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.71 2k6s h LYS 16 Cb -0.05 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2k6s h LYS 16 CO -0.10 -0.50 -0.01 1.05 -2.27 0.00 0.00 179.45 177.63 2k6s h GLU 17 N -0.78 0.48 -0.37 1.90 9.09 -0.89 -2.46 114.58 121.55 2k6s h GLU 17 Ca -0.04 -0.10 -0.03 0.00 0.05 0.00 0.00 59.36 59.25 2k6s h GLU 17 Cb 0.71 -0.07 -0.02 0.00 -1.65 0.00 0.00 28.75 27.72 2k6s h GLU 17 CO -0.13 0.52 0.11 -0.07 0.05 0.00 0.00 179.01 179.48 2k6s h LEU 18 N 0.46 0.48 -0.20 3.06 3.38 -0.49 -0.39 115.31 121.63 2k6s h LEU 18 Ca 0.10 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2k6s h LEU 18 Cb 0.31 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2k6s h LEU 18 CO 0.01 0.48 -0.37 -0.07 0.09 0.00 0.00 178.44 178.58 2k6s h LEU 19 N 0.53 0.00 0.15 1.67 3.38 -0.54 -2.76 115.31 117.73 2k6s h LEU 19 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2k6s h LEU 19 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2k6s h LEU 19 CO -0.01 0.37 -0.07 0.03 0.09 0.00 0.00 178.44 178.85 2k6s h ARG 20 N 0.00 -0.19 -0.52 1.13 3.08 -0.98 -3.28 114.38 113.62 2k6s h ARG 20 Ca -0.00 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.16 2k6s h ARG 20 Cb 1.21 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 31.22 2k6s h ARG 20 CO 0.05 0.05 0.05 -0.09 -1.07 0.00 0.00 179.97 178.97 2k6s h ARG 21 N -1.01 0.17 -0.87 0.04 2.43 -1.21 -1.59 114.38 112.34 2k6s h ARG 21 Ca -0.02 -0.01 0.23 0.00 -0.81 0.00 0.00 59.98 59.37 2k6s h ARG 21 Cb 0.33 -0.04 -0.14 0.00 -0.42 0.00 0.00 29.97 29.70 2k6s h ARG 21 CO 0.03 0.11 0.20 -0.22 -1.51 0.00 0.00 179.97 178.59 2k6s h LYS 22 N 0.18 0.18 -0.03 0.20 3.64 -1.61 0.27 116.57 119.40 2k6s h LYS 22 Ca 0.26 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.42 2k6s h LYS 22 Cb 0.39 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2k6s h LYS 22 CO -0.39 0.12 -0.88 0.22 -2.27 0.00 0.00 179.45 176.24 2k6s h ASP 23 N 0.18 0.56 0.29 4.20 1.82 -1.39 -3.13 116.42 118.95 2k6s h ASP 23 Ca 0.54 -0.42 -0.03 0.00 -0.39 0.00 0.00 57.03 56.73 2k6s h ASP 23 Cb 1.08 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 40.92 2k6s h ASP 23 CO -0.67 1.21 -0.15 0.74 -1.61 0.00 0.00 179.24 178.75 2k6s h THR 24 N 0.27 0.81 0.12 2.25 2.02 0.30 -1.33 112.91 117.35 2k6s h THR 24 Ca -0.07 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 2k6s h THR 24 Cb 1.50 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 2k6s h THR 24 CO 0.16 0.15 -0.06 -0.74 0.37 0.00 0.00 175.52 175.40 2k6s h HIS 25 N 0.00 -0.15 0.00 3.16 -0.00 -0.69 0.18 115.15 117.65 2k6s h HIS 25 Ca -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 2k6s h HIS 25 Cb 0.34 0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 27.80 2k6s h HIS 25 CO 0.00 0.33 -0.07 -0.84 -0.00 0.00 0.00 177.93 177.36 2k6s h ILE 26 N -0.79 0.36 0.11 6.26 -0.00 -1.52 0.17 117.51 122.10 2k6s h ILE 26 Ca -0.02 -0.37 -0.14 0.00 -0.00 0.00 0.00 64.86 64.33 2k6s h ILE 26 Cb 0.55 1.27 0.02 0.00 -0.00 0.00 0.00 36.82 38.65 2k6s h ILE 26 CO 0.03 0.06 -0.63 -0.09 -0.00 0.00 0.00 178.15 177.52 2k6s h ARG 27 N 0.00 0.23 -0.27 0.16 2.43 -1.19 -3.03 114.38 112.70 2k6s h ARG 27 Ca -0.00 -0.39 -0.15 0.00 -0.81 0.00 0.00 59.98 58.63 2k6s h ARG 27 Cb 0.26 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2k6s h ARG 27 CO 0.01 1.19 -0.42 1.05 -1.51 0.00 0.00 179.97 180.29 2k6s h GLU 28 N -0.52 0.76 0.00 0.20 -0.00 -0.27 -3.06 114.58 111.69 2k6s h GLU 28 Ca -0.11 -0.46 -0.03 0.00 -0.00 0.00 0.00 59.36 58.76 2k6s h GLU 28 Cb 1.49 0.04 -0.00 0.00 -0.00 0.00 0.00 28.75 30.28 2k6s h GLU 28 CO 0.11 1.08 -0.12 1.25 -0.00 0.00 0.00 179.01 181.33 2k6s h LEU 29 N 0.51 0.00 -1.81 3.06 5.85 -0.82 -2.15 115.31 119.95 2k6s h LEU 29 Ca 0.02 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2k6s h LEU 29 Cb 1.02 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 2k6s h LEU 29 CO 0.10 0.12 -0.14 -0.33 -0.34 0.00 0.00 178.44 177.85 2k6s h GLU 30 N 0.00 0.00 -0.22 1.25 4.39 -1.42 -2.18 114.58 116.40 2k6s h GLU 30 Ca -0.00 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 2k6s h GLU 30 Cb 0.32 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2k6s h GLU 30 CO 0.02 0.14 -0.34 -0.44 -1.16 0.00 0.00 179.01 177.22 2k6s h ASP 31 N 0.00 0.69 -0.16 1.42 3.32 -1.48 -2.26 116.42 117.95 2k6s h ASP 31 Ca -0.00 -0.52 -0.10 0.00 0.02 0.00 0.00 57.03 56.43 2k6s h ASP 31 Cb 0.38 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2k6s h ASP 31 CO 0.02 1.08 -0.21 1.88 -1.72 0.00 0.00 179.24 180.28 2k6s h TYR 32 N 0.33 0.66 -0.04 4.55 0.05 -1.56 -2.77 116.97 118.18 2k6s h TYR 32 Ca 0.02 -0.13 -0.09 0.00 0.05 0.00 0.00 58.73 58.57 2k6s h TYR 32 Cb 0.93 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.49 2k6s h TYR 32 CO 0.08 0.76 -0.41 0.82 -1.05 0.00 0.00 178.16 178.36 2k6s h ILE 33 N 0.53 1.31 -0.40 -2.88 2.04 -1.35 -3.03 117.51 113.73 2k6s h ILE 33 Ca 0.08 -1.47 0.06 0.00 1.00 0.00 0.00 64.86 64.54 2k6s h ILE 33 Cb 0.65 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 2k6s h ILE 33 CO 0.05 0.43 0.27 0.44 0.00 0.00 0.00 178.15 179.33 2k6s h ASP 34 N 0.07 0.24 -0.86 1.72 3.32 -1.10 -2.97 116.42 116.84 2k6s h ASP 34 Ca 0.00 0.00 0.28 0.00 0.02 0.00 0.00 57.03 57.33 2k6s h ASP 34 Cb 0.76 -0.05 -0.16 0.00 0.22 0.00 0.00 39.33 40.11 2k6s h ASP 34 CO 0.06 0.16 0.16 0.59 -1.72 0.00 0.00 179.24 178.49 2k6s n ASN 35 N -4.47 0.03 0.00 6.45 3.02 -1.15 0.11 115.26 119.26 2k6s n ASN 35 Ca 0.05 1.44 -0.11 0.00 -0.03 0.00 0.00 54.58 55.93 2k6s n ASN 35 Cb 0.27 -0.58 -0.05 0.00 -0.61 0.00 0.00 39.78 38.80 2k6s n ASN 35 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2k6s h LEU 36 N 0.00 0.07 -5.50 3.41 3.38 -1.78 -3.23 115.31 111.66 2k6s h LEU 36 Ca 0.59 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.94 2k6s h LEU 36 Cb 1.35 -0.01 -0.40 0.00 0.09 0.00 0.00 40.66 41.69 2k6s h LEU 36 CO -0.76 0.05 -0.45 0.00 0.09 0.00 0.00 178.44 177.38 2k6s n LEU 37 N -5.05 4.74 -3.58 1.67 -0.00 0.31 -5.02 117.00 110.06 2k6s n LEU 37 Ca -0.05 -5.63 -0.05 0.00 -0.00 0.00 0.00 56.01 50.28 2k6s n LEU 37 Cb 0.04 -0.64 -0.02 0.00 -0.00 0.00 0.00 43.42 42.80 2k6s n LEU 37 CO 0.33 2.29 0.83 0.54 -0.00 0.00 0.00 177.39 181.38 2k6s s VAL 38 N -4.23 0.00 -0.03 1.47 0.11 0.12 -4.88 120.40 112.96 2k6s s VAL 38 Ca 0.47 -0.13 -0.35 0.00 -2.93 0.00 0.00 61.98 59.04 2k6s s VAL 38 Cb 0.25 -1.27 -0.13 0.00 -1.53 0.00 0.00 36.38 33.70 2k6s s VAL 38 CO -0.12 0.00 1.72 -1.14 -3.33 0.00 0.00 175.10 172.22 2k6s n ARG 39 N -0.26 1.90 -4.14 1.54 3.00 -1.26 -4.69 116.66 112.74 2k6s n ARG 39 Ca -0.06 0.69 -0.30 0.00 -0.00 0.00 0.00 57.85 58.19 2k6s n ARG 39 Cb 0.61 -2.47 -0.08 0.00 0.00 0.00 0.00 32.46 30.52 2k6s n ARG 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2k6s s VAL 40 N 2.72 3.96 0.00 5.15 -7.23 -1.26 -4.89 120.40 118.85 2k6s s VAL 40 Ca 0.89 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.00 2k6s s VAL 40 Cb -0.78 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 33.26 2k6s s VAL 40 CO 0.49 0.08 0.29 1.15 -0.31 0.00 0.00 175.10 176.81