#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 1.19 -4.52 1.61 2.88 -1.26 -4.67 113.62 108.86 2k6s n SER 2 Ca 0.00 0.11 -0.26 0.00 -1.33 0.00 0.00 58.87 57.39 2k6s n SER 2 Cb 0.00 -0.03 -0.08 0.00 -0.75 0.00 0.00 64.21 63.35 2k6s n SER 2 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2k6s n LEU 3 N -3.12 2.69 0.00 2.46 4.77 -1.26 -4.24 117.00 118.31 2k6s n LEU 3 Ca -0.32 -2.99 0.00 0.00 -0.03 0.00 0.00 56.01 52.67 2k6s n LEU 3 Cb 1.07 -1.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 2k6s n LEU 3 CO 0.39 -2.19 0.00 0.35 -1.33 0.00 0.00 177.39 174.61 2k6s n THR 4 N 8.01 0.00 -0.02 -5.08 -2.24 -1.26 -5.07 114.28 108.62 2k6s n THR 4 Ca 0.44 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 62.22 2k6s n THR 4 Cb 0.46 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2k6s n THR 4 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2k6s h TYR 5 N 0.00 0.00 -1.45 4.78 3.20 -1.95 -3.06 116.97 118.49 2k6s h TYR 5 Ca 0.00 0.00 0.43 0.00 3.14 0.00 0.00 58.73 62.30 2k6s h TYR 5 Cb 0.00 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.20 2k6s h TYR 5 CO 0.00 0.00 1.03 -1.91 -1.64 0.00 0.00 178.16 175.64 2k6s n GLU 6 N -2.93 -0.00 -0.07 1.82 2.13 -1.26 0.89 120.64 121.21 2k6s n GLU 6 Ca -0.00 0.86 -0.18 0.00 0.66 0.00 0.00 57.16 58.50 2k6s n GLU 6 Cb 0.00 -1.93 -0.13 0.00 0.27 0.00 0.00 31.44 29.66 2k6s n GLU 6 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2k6s h GLU 7 N 0.00 0.04 -0.25 5.31 4.22 -1.74 -3.35 114.58 118.82 2k6s h GLU 7 Ca 0.72 -0.08 0.07 0.00 0.08 0.00 0.00 59.36 60.16 2k6s h GLU 7 Cb 2.80 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 32.07 2k6s h GLU 7 CO -0.07 1.04 0.18 -0.24 -2.18 0.00 0.00 179.01 177.74 2k6s h VAL 8 N -0.89 0.84 -0.69 0.32 3.04 0.62 -2.50 116.25 117.00 2k6s h VAL 8 Ca -0.16 0.00 0.15 0.00 -1.01 0.00 0.00 66.70 65.68 2k6s h VAL 8 Cb 1.22 0.87 -0.11 0.00 -2.01 0.00 0.00 31.29 31.27 2k6s h VAL 8 CO -0.05 0.00 0.11 -0.07 -1.01 0.00 0.00 177.57 176.54 2k6s h LEU 9 N 0.00 -0.10 -2.16 3.16 3.38 -1.22 0.25 115.31 118.62 2k6s h LEU 9 Ca 0.12 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2k6s h LEU 9 Cb 0.48 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2k6s h LEU 9 CO -0.00 -0.07 0.00 1.56 0.09 0.00 0.00 178.44 180.02 2k6s h GLN 10 N 0.21 0.00 -0.00 1.13 1.08 -1.64 -1.94 115.11 113.95 2k6s h GLN 10 Ca 0.38 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.43 2k6s h GLN 10 Cb 0.63 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.04 2k6s h GLN 10 CO -0.52 0.00 -0.71 0.93 -0.95 0.00 0.00 178.83 177.59 2k6s h GLU 11 N 0.00 0.01 -0.06 1.46 5.08 -0.63 -1.90 114.58 118.54 2k6s h GLU 11 Ca 0.00 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2k6s h GLU 11 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2k6s h GLU 11 CO 0.00 0.71 -0.11 1.25 -1.00 0.00 0.00 179.01 179.86 2k6s h LEU 12 N 0.01 0.20 -1.37 1.33 7.12 -1.31 -0.96 115.31 120.32 2k6s h LEU 12 Ca -0.01 -0.56 0.00 0.00 0.13 0.00 0.00 57.88 57.44 2k6s h LEU 12 Cb 1.25 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.33 2k6s h LEU 12 CO 0.09 0.72 0.00 1.62 -0.13 0.00 0.00 178.44 180.75 2k6s h VAL 13 N -0.32 0.00 0.01 1.05 3.04 -1.58 -1.56 116.25 116.90 2k6s h VAL 13 Ca 0.00 -0.45 -0.11 0.00 -1.01 0.00 0.00 66.70 65.14 2k6s h VAL 13 Cb 0.69 1.40 -0.01 0.00 -2.01 0.00 0.00 31.29 31.35 2k6s h VAL 13 CO 0.02 0.00 -0.56 0.50 -1.01 0.00 0.00 177.57 176.52 2k6s h LYS 14 N 0.00 0.03 -0.55 4.17 3.64 -1.26 -2.86 116.57 119.74 2k6s h LYS 14 Ca 0.00 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 2k6s h LYS 14 Cb 0.47 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 2k6s h LYS 14 CO 0.00 1.02 0.19 0.45 -2.27 0.00 0.00 179.45 178.84 2k6s h HIS 15 N -0.93 0.81 -0.09 1.91 3.86 -1.13 0.12 115.15 119.69 2k6s h HIS 15 Ca -0.15 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 58.98 2k6s h HIS 15 Cb 1.18 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 29.40 2k6s h HIS 15 CO 0.20 0.65 -0.05 0.87 0.86 0.00 0.00 177.93 180.46 2k6s h LYS 16 N 0.79 0.20 -0.34 2.45 1.57 -1.42 -2.26 116.57 117.55 2k6s h LYS 16 Ca 0.18 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 2k6s h LYS 16 Cb 0.20 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2k6s h LYS 16 CO -0.01 0.57 -0.27 1.49 -0.57 0.00 0.00 179.45 180.66 2k6s h GLU 17 N -0.17 0.69 -0.64 3.15 4.81 -1.34 -2.57 114.58 118.52 2k6s h GLU 17 Ca 0.02 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2k6s h GLU 17 Cb 0.51 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 2k6s h GLU 17 CO 0.01 0.89 0.38 -0.07 -0.73 0.00 0.00 179.01 179.49 2k6s h LEU 18 N 0.60 0.77 -1.34 1.64 3.38 -0.76 -1.78 115.31 117.82 2k6s h LEU 18 Ca 0.08 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2k6s h LEU 18 Cb 0.76 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2k6s h LEU 18 CO 0.06 0.61 0.02 -0.07 0.09 0.00 0.00 178.44 179.14 2k6s h LEU 19 N 0.86 0.42 0.79 1.67 3.38 -1.25 -2.89 115.31 118.30 2k6s h LEU 19 Ca 0.23 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2k6s h LEU 19 Cb -0.02 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.63 2k6s h LEU 19 CO -0.04 0.48 -0.38 0.03 0.09 0.00 0.00 178.44 178.62 2k6s h ARG 20 N 0.44 -1.02 -0.85 1.13 3.08 -0.93 -3.16 114.38 113.08 2k6s h ARG 20 Ca 0.10 0.07 0.21 0.00 0.07 0.00 0.00 59.98 60.43 2k6s h ARG 20 Cb 0.27 0.23 -0.13 0.00 0.08 0.00 0.00 29.97 30.42 2k6s h ARG 20 CO 0.01 -0.68 0.24 -0.09 -1.07 0.00 0.00 179.97 178.38 2k6s h ARG 21 N -1.19 0.25 -0.90 0.04 2.43 -1.38 -0.20 114.38 113.42 2k6s h ARG 21 Ca -0.11 -0.01 0.18 0.00 -0.81 0.00 0.00 59.98 59.23 2k6s h ARG 21 Cb 0.81 -0.06 -0.17 0.00 -0.42 0.00 0.00 29.97 30.14 2k6s h ARG 21 CO 0.18 0.16 -0.22 -0.22 -1.51 0.00 0.00 179.97 178.36 2k6s h LYS 22 N 0.25 0.00 0.34 0.20 3.64 -1.47 0.74 116.57 120.27 2k6s h LYS 22 Ca 0.52 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.88 2k6s h LYS 22 Cb 0.99 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2k6s h LYS 22 CO -0.60 0.00 -0.16 -0.44 -2.27 0.00 0.00 179.45 175.98 2k6s h ASP 23 N 0.00 -0.39 -0.88 4.20 5.19 -1.12 -2.98 116.42 120.44 2k6s h ASP 23 Ca 0.44 -0.12 0.23 0.00 -0.62 0.00 0.00 57.03 56.96 2k6s h ASP 23 Cb 0.66 0.10 -0.14 0.00 0.18 0.00 0.00 39.33 40.14 2k6s h ASP 23 CO -0.93 0.07 0.27 0.74 -3.12 0.00 0.00 179.24 176.27 2k6s h THR 24 N -1.02 0.34 -0.62 0.35 2.02 -0.46 0.35 112.91 113.87 2k6s h THR 24 Ca -0.05 -0.08 -0.09 0.00 0.77 0.00 0.00 66.41 66.97 2k6s h THR 24 Cb 0.48 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 2k6s h THR 24 CO 0.08 0.04 0.05 -0.74 0.37 0.00 0.00 175.52 175.33 2k6s h HIS 25 N 0.24 1.15 0.00 3.16 6.17 0.37 -0.43 115.15 125.80 2k6s h HIS 25 Ca 0.56 -0.18 -0.04 0.00 0.71 0.00 0.00 60.37 61.42 2k6s h HIS 25 Cb 1.12 -0.31 -0.01 0.00 2.52 0.00 0.00 27.41 30.74 2k6s h HIS 25 CO -0.24 0.99 -0.19 -0.84 0.71 0.00 0.00 177.93 178.36 2k6s h ILE 26 N 0.97 0.45 0.12 6.26 3.07 -0.84 -2.02 117.51 125.52 2k6s h ILE 26 Ca 0.18 -1.10 -0.21 0.00 1.55 0.00 0.00 64.86 65.29 2k6s h ILE 26 Cb 0.50 1.79 0.02 0.00 -0.27 0.00 0.00 36.82 38.86 2k6s h ILE 26 CO 0.02 0.19 -0.90 -0.09 -1.05 0.00 0.00 178.15 176.33 2k6s h ARG 27 N 0.00 0.40 0.07 0.16 1.12 -0.76 -2.90 114.38 112.47 2k6s h ARG 27 Ca -0.00 -0.59 -0.00 0.00 -1.11 0.00 0.00 59.98 58.28 2k6s h ARG 27 Cb 0.77 0.20 0.00 0.00 -0.01 0.00 0.00 29.97 30.94 2k6s h ARG 27 CO 0.03 1.25 -0.03 1.05 -3.11 0.00 0.00 179.97 179.15 2k6s h GLU 28 N -0.16 -0.09 0.00 0.20 -0.00 -1.01 -2.34 114.58 111.18 2k6s h GLU 28 Ca -0.14 0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.22 2k6s h GLU 28 Cb 1.66 0.02 0.00 0.00 -0.00 0.00 0.00 28.75 30.43 2k6s h GLU 28 CO 0.17 0.15 0.00 1.25 -0.00 0.00 0.00 179.01 180.58 2k6s h LEU 29 N -0.32 0.00 -0.23 3.06 5.85 -1.50 -1.94 115.31 120.24 2k6s h LEU 29 Ca -0.01 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.54 2k6s h LEU 29 Cb 0.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2k6s h LEU 29 CO 0.02 0.00 -0.53 -0.33 -0.34 0.00 0.00 178.44 177.26 2k6s h GLU 30 N 0.00 0.77 0.00 1.25 4.39 -1.20 -2.75 114.58 117.04 2k6s h GLU 30 Ca 0.00 -0.51 -0.06 0.00 0.34 0.00 0.00 59.36 59.13 2k6s h GLU 30 Cb 0.04 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2k6s h GLU 30 CO 0.00 1.14 -0.26 -0.44 -1.16 0.00 0.00 179.01 178.29 2k6s h ASP 31 N 0.50 0.00 -0.48 1.42 3.32 -1.32 -0.90 116.42 118.97 2k6s h ASP 31 Ca -0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 2k6s h ASP 31 Cb 1.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 2k6s h ASP 31 CO 0.12 0.26 -0.10 1.88 -1.72 0.00 0.00 179.24 179.68 2k6s h TYR 32 N 0.00 1.02 0.00 4.55 0.05 -1.48 -2.52 116.97 118.59 2k6s h TYR 32 Ca -0.00 -0.22 0.00 0.00 0.05 0.00 0.00 58.73 58.56 2k6s h TYR 32 Cb 0.51 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.00 2k6s h TYR 32 CO 0.00 0.99 0.00 0.82 -1.05 0.00 0.00 178.16 178.92 2k6s h ILE 33 N 0.76 0.00 -0.37 -2.88 2.04 -1.15 -3.21 117.51 112.69 2k6s h ILE 33 Ca 0.12 -0.57 -0.06 0.00 1.00 0.00 0.00 64.86 65.35 2k6s h ILE 33 Cb 0.65 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 2k6s h ILE 33 CO 0.04 0.00 -0.03 0.44 0.00 0.00 0.00 178.15 178.61 2k6s h ASP 34 N 0.00 0.57 -1.00 1.72 3.32 -0.71 -2.96 116.42 117.36 2k6s h ASP 34 Ca 0.00 -0.13 0.33 0.00 0.02 0.00 0.00 57.03 57.25 2k6s h ASP 34 Cb 0.72 -0.15 -0.15 0.00 0.22 0.00 0.00 39.33 39.96 2k6s h ASP 34 CO 0.00 0.66 0.54 0.78 -1.72 0.00 0.00 179.24 179.51 2k6s h ASN 35 N 0.57 0.46 -0.28 6.45 2.35 -1.57 0.58 115.58 124.14 2k6s h ASN 35 Ca 0.12 0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 2k6s h ASN 35 Cb 0.41 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 2k6s h ASN 35 CO 0.02 -0.18 0.13 -0.07 -1.65 0.00 0.00 177.43 175.68 2k6s h LEU 36 N 0.27 0.38 -5.25 1.61 3.38 -1.77 -3.27 115.31 110.66 2k6s h LEU 36 Ca 0.74 -0.14 -0.59 0.00 0.09 0.00 0.00 57.88 57.99 2k6s h LEU 36 Cb 1.72 -0.10 -0.42 0.00 0.09 0.00 0.00 40.66 41.95 2k6s h LEU 36 CO -0.63 0.41 -0.65 0.00 0.09 0.00 0.00 178.44 177.65 2k6s n LEU 37 N -4.78 4.48 0.00 1.67 -0.00 0.15 -5.03 117.00 113.48 2k6s n LEU 37 Ca -0.02 -5.65 -0.07 0.00 -0.00 0.00 0.00 56.01 50.27 2k6s n LEU 37 Cb 0.11 -0.54 0.03 0.00 -0.00 0.00 0.00 43.42 43.02 2k6s n LEU 37 CO 0.35 2.35 0.51 0.55 -0.00 0.00 0.00 177.39 181.16 2k6s n VAL 38 N -0.26 0.00 -2.25 1.47 3.14 0.15 -4.89 118.33 115.69 2k6s n VAL 38 Ca 0.31 -0.82 -0.43 0.00 -2.96 0.00 0.00 64.34 60.44 2k6s n VAL 38 Cb 0.41 0.85 -0.02 0.00 -1.06 0.00 0.00 33.84 34.02 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 -2.07 3.92 0.22 1.45 6.06 -1.26 -4.85 118.95 122.42 2k6s s ARG 39 Ca 0.15 1.55 -0.07 0.00 -2.50 0.00 0.00 55.73 54.87 2k6s s ARG 39 Cb -0.04 -3.94 -0.06 0.00 0.06 0.00 0.00 34.95 30.97 2k6s s ARG 39 CO 0.10 -1.12 0.50 0.14 -2.50 0.00 0.00 175.30 172.41 2k6s s VAL 40 N 4.60 5.03 0.00 7.11 -7.23 -1.26 -4.94 120.40 123.71 2k6s s VAL 40 Ca 0.64 0.22 0.00 0.00 -1.81 0.00 0.00 61.98 61.03 2k6s s VAL 40 Cb -0.22 -3.65 0.00 0.00 0.56 0.00 0.00 36.38 33.07 2k6s s VAL 40 CO 0.25 -0.11 0.34 1.15 -0.31 0.00 0.00 175.10 176.43