#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 1.01 -3.70 1.61 7.64 -1.26 -4.61 113.62 114.31 2k6s n SER 2 Ca 0.00 0.16 -0.42 0.00 1.01 0.00 0.00 58.87 59.62 2k6s n SER 2 Cb 0.00 0.07 -0.07 0.00 -1.01 0.00 0.00 64.21 63.20 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 -3.07 3.51 0.00 -3.43 -0.00 -1.26 -3.50 117.00 109.25 2k6s n LEU 3 Ca -0.29 -2.71 0.00 0.00 -0.00 0.00 0.00 56.01 53.01 2k6s n LEU 3 Cb 1.08 -1.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.41 2k6s n LEU 3 CO 0.41 -0.78 0.00 0.35 -0.00 0.00 0.00 177.39 177.37 2k6s n THR 4 N 6.35 0.00 -0.40 1.47 -2.24 -1.26 -4.98 114.28 113.23 2k6s n THR 4 Ca 0.49 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 62.19 2k6s n THR 4 Cb 0.41 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.61 -0.56 4.78 3.20 -1.94 0.62 116.97 121.46 2k6s h TYR 5 Ca 0.00 0.12 0.16 0.00 3.14 0.00 0.00 58.73 62.15 2k6s h TYR 5 Cb 0.00 0.84 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 2k6s h TYR 5 CO 0.00 -0.39 0.47 1.49 -1.64 0.00 0.00 178.16 178.09 2k6s h GLU 6 N -0.02 0.00 0.04 1.82 4.81 -1.95 -1.63 114.58 117.65 2k6s h GLU 6 Ca 0.22 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2k6s h GLU 6 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2k6s h GLU 6 CO -0.94 0.00 -0.02 1.49 -0.73 0.00 0.00 179.01 178.81 2k6s h GLU 7 N 0.00 -0.06 -0.47 1.92 4.22 0.17 -3.21 114.58 117.15 2k6s h GLU 7 Ca 0.26 0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.79 2k6s h GLU 7 Cb 1.19 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 2k6s h GLU 7 CO -0.00 0.57 0.32 -0.24 -2.18 0.00 0.00 179.01 177.48 2k6s h VAL 8 N -0.91 0.90 0.92 0.32 3.04 -0.65 -1.83 116.25 118.04 2k6s h VAL 8 Ca -0.01 -0.09 -0.05 0.00 -1.01 0.00 0.00 66.70 65.54 2k6s h VAL 8 Cb 0.65 0.60 0.01 0.00 -2.01 0.00 0.00 31.29 30.54 2k6s h VAL 8 CO 0.01 0.05 -0.44 -0.07 -1.01 0.00 0.00 177.57 176.11 2k6s h LEU 9 N 0.28 -1.05 -1.03 3.16 3.38 -1.41 -2.72 115.31 115.92 2k6s h LEU 9 Ca 0.22 0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.41 2k6s h LEU 9 Cb 0.49 0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.41 2k6s h LEU 9 CO -0.05 -0.72 0.61 1.56 0.09 0.00 0.00 178.44 179.94 2k6s h GLN 10 N -1.31 0.75 -0.11 1.13 1.08 -1.47 0.28 115.11 115.46 2k6s h GLN 10 Ca -0.13 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.06 2k6s h GLN 10 Cb 0.95 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 28.20 2k6s h GLN 10 CO 0.21 0.50 0.12 1.49 -0.95 0.00 0.00 178.83 180.20 2k6s h GLU 11 N 0.77 0.00 -0.04 1.46 4.81 -1.13 -1.75 114.58 118.70 2k6s h GLU 11 Ca 0.57 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.54 2k6s h GLU 11 Cb 0.88 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.28 2k6s h GLU 11 CO -0.36 0.00 -0.97 1.25 -0.73 0.00 0.00 179.01 178.19 2k6s h LEU 12 N 0.00 0.92 0.00 1.64 7.12 -0.14 -2.87 115.31 121.99 2k6s h LEU 12 Ca 0.05 -0.71 0.00 0.00 0.13 0.00 0.00 57.88 57.35 2k6s h LEU 12 Cb 0.30 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 40.15 2k6s h LEU 12 CO -0.00 1.51 0.00 0.55 -0.13 0.00 0.00 178.44 180.37 2k6s n VAL 13 N -3.88 1.03 -0.09 1.05 3.14 -0.67 -2.95 118.33 115.95 2k6s n VAL 13 Ca -0.10 0.26 -0.15 0.00 -2.96 0.00 0.00 64.34 61.38 2k6s n VAL 13 Cb 0.85 -1.03 -0.08 0.00 -1.06 0.00 0.00 33.84 32.52 2k6s n VAL 13 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 2k6s h LYS 14 N 0.00 0.00 -0.79 1.45 1.57 -1.42 -3.27 116.57 114.10 2k6s h LYS 14 Ca 0.00 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 2k6s h LYS 14 Cb 0.22 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.40 2k6s h LYS 14 CO 0.00 0.65 -0.43 0.45 -0.57 0.00 0.00 179.45 179.54 2k6s h HIS 15 N -1.00 -1.28 -0.56 -1.35 3.86 -1.39 -0.07 115.15 113.35 2k6s h HIS 15 Ca -0.21 0.10 -0.09 0.00 -1.16 0.00 0.00 60.37 59.01 2k6s h HIS 15 Cb 1.00 0.67 -0.02 0.00 1.06 0.00 0.00 27.41 30.12 2k6s h HIS 15 CO -0.00 -0.40 0.02 0.87 0.86 0.00 0.00 177.93 179.27 2k6s h LYS 16 N -0.10 0.98 -0.83 2.45 1.57 -1.77 -2.71 116.57 116.15 2k6s h LYS 16 Ca 0.24 -0.30 0.13 0.00 -1.87 0.00 0.00 60.65 58.85 2k6s h LYS 16 Cb 0.55 -0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.68 2k6s h LYS 16 CO -0.83 0.97 0.43 1.49 -0.57 0.00 0.00 179.45 180.94 2k6s h GLU 17 N 0.86 0.64 0.00 3.15 4.81 -1.14 0.52 114.58 123.42 2k6s h GLU 17 Ca 0.16 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 2k6s h GLU 17 Cb 0.52 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2k6s h GLU 17 CO 0.03 0.42 -0.40 -0.07 -0.73 0.00 0.00 179.01 178.26 2k6s h LEU 18 N 0.66 0.00 0.07 1.64 3.38 -0.95 -1.99 115.31 118.12 2k6s h LEU 18 Ca 0.43 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.14 2k6s h LEU 18 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2k6s h LEU 18 CO -0.33 0.40 -1.26 -0.07 0.09 0.00 0.00 178.44 177.28 2k6s h LEU 19 N 0.00 0.23 0.45 1.67 3.38 -0.52 -2.94 115.31 117.59 2k6s h LEU 19 Ca -0.00 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2k6s h LEU 19 Cb 0.84 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2k6s h LEU 19 CO 0.05 1.22 -0.22 0.03 0.09 0.00 0.00 178.44 179.62 2k6s h ARG 20 N 0.04 -0.59 -0.71 1.13 3.08 0.02 -3.19 114.38 114.16 2k6s h ARG 20 Ca -0.13 0.04 0.14 0.00 0.07 0.00 0.00 59.98 60.11 2k6s h ARG 20 Cb 1.91 0.13 -0.10 0.00 0.08 0.00 0.00 29.97 32.00 2k6s h ARG 20 CO 0.16 -0.39 0.20 -0.09 -1.07 0.00 0.00 179.97 178.77 2k6s h ARG 21 N -1.14 0.30 -1.01 0.04 2.43 -1.53 -0.18 114.38 113.29 2k6s h ARG 21 Ca -0.06 -0.02 0.25 0.00 -0.81 0.00 0.00 59.98 59.34 2k6s h ARG 21 Cb 0.47 -0.07 -0.12 0.00 -0.42 0.00 0.00 29.97 29.83 2k6s h ARG 21 CO 0.10 0.20 0.61 -0.22 -1.51 0.00 0.00 179.97 179.16 2k6s h LYS 22 N 0.31 0.53 0.17 0.20 3.64 -1.59 0.33 116.57 120.17 2k6s h LYS 22 Ca 0.39 -0.03 -0.31 0.00 -1.27 0.00 0.00 60.65 59.43 2k6s h LYS 22 Cb 0.63 -0.12 0.03 0.00 -0.41 0.00 0.00 32.23 32.36 2k6s h LYS 22 CO -0.46 0.35 -1.34 0.22 -2.27 0.00 0.00 179.45 175.96 2k6s h ASP 23 N 0.55 0.82 0.24 4.20 1.82 -1.06 -3.13 116.42 119.86 2k6s h ASP 23 Ca 0.63 -0.81 -0.03 0.00 -0.39 0.00 0.00 57.03 56.43 2k6s h ASP 23 Cb 1.28 -0.26 -0.00 0.00 0.68 0.00 0.00 39.33 41.03 2k6s h ASP 23 CO -0.43 1.62 -0.14 0.74 -1.61 0.00 0.00 179.24 179.42 2k6s h THR 24 N 0.21 0.83 -0.04 2.25 2.02 0.05 -0.43 112.91 117.79 2k6s h THR 24 Ca -0.21 -0.52 -0.05 0.00 0.77 0.00 0.00 66.41 66.40 2k6s h THR 24 Cb 2.02 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 2k6s h THR 24 CO 0.25 0.13 -0.18 -0.74 0.37 0.00 0.00 175.52 175.35 2k6s h HIS 25 N 0.00 0.26 0.00 3.16 -0.00 -0.47 0.11 115.15 118.20 2k6s h HIS 25 Ca -0.00 -0.11 -0.03 0.00 -0.00 0.00 0.00 60.37 60.23 2k6s h HIS 25 Cb 0.29 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 27.65 2k6s h HIS 25 CO 0.00 0.81 -0.14 -0.84 -0.00 0.00 0.00 177.93 177.76 2k6s h ILE 26 N -0.37 0.45 0.14 6.26 3.07 -1.44 0.90 117.51 126.52 2k6s h ILE 26 Ca -0.01 -0.77 -0.21 0.00 1.55 0.00 0.00 64.86 65.43 2k6s h ILE 26 Cb 0.83 1.54 0.02 0.00 -0.27 0.00 0.00 36.82 38.94 2k6s h ILE 26 CO 0.04 0.14 -0.89 -0.09 -1.05 0.00 0.00 178.15 176.30 2k6s h ARG 27 N 0.00 0.36 -0.16 0.16 2.43 -1.00 -2.76 114.38 113.41 2k6s h ARG 27 Ca -0.00 -0.57 -0.15 0.00 -0.81 0.00 0.00 59.98 58.44 2k6s h ARG 27 Cb 0.53 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2k6s h ARG 27 CO 0.02 1.26 -0.49 1.05 -1.51 0.00 0.00 179.97 180.29 2k6s h GLU 28 N -0.24 0.62 0.00 0.20 -0.00 -0.58 -3.13 114.58 111.45 2k6s h GLU 28 Ca -0.15 -0.45 -0.04 0.00 -0.00 0.00 0.00 59.36 58.72 2k6s h GLU 28 Cb 1.68 0.08 -0.01 0.00 -0.00 0.00 0.00 28.75 30.50 2k6s h GLU 28 CO 0.17 1.07 -0.17 1.25 -0.00 0.00 0.00 179.01 181.33 2k6s h LEU 29 N 0.28 0.00 -1.59 3.06 5.85 -0.96 -2.15 115.31 119.80 2k6s h LEU 29 Ca -0.02 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 2k6s h LEU 29 Cb 1.12 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2k6s h LEU 29 CO 0.11 0.17 -0.22 -0.33 -0.34 0.00 0.00 178.44 177.83 2k6s h GLU 30 N 0.00 0.00 -0.21 1.25 4.39 -1.43 -1.37 114.58 117.21 2k6s h GLU 30 Ca -0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 2k6s h GLU 30 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2k6s h GLU 30 CO 0.02 0.22 -0.38 0.22 -1.16 0.00 0.00 179.01 177.93 2k6s h ASP 31 N 0.00 0.70 -0.37 1.42 1.82 -1.44 -1.80 116.42 116.74 2k6s h ASP 31 Ca -0.00 -0.54 -0.10 0.00 -0.39 0.00 0.00 57.03 56.00 2k6s h ASP 31 Cb 0.47 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 2k6s h ASP 31 CO 0.03 1.10 -0.12 1.88 -1.61 0.00 0.00 179.24 180.52 2k6s h TYR 32 N 0.32 0.91 -0.00 0.28 0.05 -1.49 -2.78 116.97 114.26 2k6s h TYR 32 Ca 0.01 -0.18 -0.10 0.00 0.05 0.00 0.00 58.73 58.52 2k6s h TYR 32 Cb 0.98 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.47 2k6s h TYR 32 CO 0.09 0.90 -0.46 0.82 -1.05 0.00 0.00 178.16 178.46 2k6s h ILE 33 N 0.74 1.33 -0.25 -2.88 2.04 -1.22 -3.01 117.51 114.26 2k6s h ILE 33 Ca 0.12 -1.57 0.03 0.00 1.00 0.00 0.00 64.86 64.44 2k6s h ILE 33 Cb 0.63 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 2k6s h ILE 33 CO 0.04 0.45 0.17 0.44 0.00 0.00 0.00 178.15 179.25 2k6s h ASP 34 N 0.00 0.19 -0.98 1.72 3.32 -1.03 -2.89 116.42 116.75 2k6s h ASP 34 Ca -0.00 -0.00 0.37 0.00 0.02 0.00 0.00 57.03 57.42 2k6s h ASP 34 Cb 0.81 -0.04 -0.18 0.00 0.22 0.00 0.00 39.33 40.14 2k6s h ASP 34 CO 0.06 0.13 0.39 0.59 -1.72 0.00 0.00 179.24 178.69 2k6s n ASN 35 N -4.50 0.22 -0.03 6.45 3.02 -1.14 0.11 115.26 119.39 2k6s n ASN 35 Ca 0.02 1.64 -0.11 0.00 -0.03 0.00 0.00 54.58 56.09 2k6s n ASN 35 Cb 0.16 -0.74 -0.05 0.00 -0.61 0.00 0.00 39.78 38.54 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 0.20 -5.58 3.41 3.38 -1.75 -3.24 115.31 111.73 2k6s h LEU 36 Ca 0.77 -0.14 -0.65 0.00 0.09 0.00 0.00 57.88 57.95 2k6s h LEU 36 Cb 1.94 -0.05 -0.38 0.00 0.09 0.00 0.00 40.66 42.26 2k6s h LEU 36 CO -0.80 0.29 -0.22 0.00 0.09 0.00 0.00 178.44 177.80 2k6s n LEU 37 N -4.89 5.18 -3.56 1.67 -0.00 0.30 -5.00 117.00 110.69 2k6s n LEU 37 Ca -0.05 -5.60 -0.09 0.00 -0.00 0.00 0.00 56.01 50.27 2k6s n LEU 37 Cb 0.11 -0.72 -0.04 0.00 -0.00 0.00 0.00 43.42 42.77 2k6s n LEU 37 CO 0.34 2.27 0.79 0.54 -0.00 0.00 0.00 177.39 181.33 2k6s s VAL 38 N -4.34 0.00 -0.12 1.47 0.11 0.14 -4.86 120.40 112.79 2k6s s VAL 38 Ca 0.46 0.00 -0.32 0.00 -2.93 0.00 0.00 61.98 59.19 2k6s s VAL 38 Cb 0.25 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 34.00 2k6s s VAL 38 CO -0.13 0.00 1.99 -1.14 -3.33 0.00 0.00 175.10 172.50 2k6s n ARG 39 N 0.27 2.16 -3.48 1.54 0.63 -1.26 -4.70 116.66 111.81 2k6s n ARG 39 Ca -0.08 0.75 -0.29 0.00 -0.92 0.00 0.00 57.85 57.31 2k6s n ARG 39 Cb 0.59 -2.80 -0.03 0.00 0.45 0.00 0.00 32.46 30.67 2k6s n ARG 39 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2k6s s VAL 40 N 5.25 5.09 -0.16 5.15 -7.23 -1.26 -4.97 120.40 122.27 2k6s s VAL 40 Ca 0.95 -0.06 0.01 0.00 -1.81 0.00 0.00 61.98 61.08 2k6s s VAL 40 Cb -0.60 -3.72 0.01 0.00 0.56 0.00 0.00 36.38 32.63 2k6s s VAL 40 CO 0.47 -0.23 0.54 1.15 -0.31 0.00 0.00 175.10 176.72