#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 1.44 -3.48 1.61 7.64 -1.26 -4.66 113.62 114.92 2k6s n SER 2 Ca 0.00 -1.22 -0.40 0.00 1.01 0.00 0.00 58.87 58.26 2k6s n SER 2 Cb 0.00 0.69 -0.02 0.00 -1.01 0.00 0.00 64.21 63.87 2k6s n SER 2 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k6s n LEU 3 N -0.62 7.79 0.00 -3.43 4.77 -1.26 -3.62 117.00 120.63 2k6s n LEU 3 Ca 0.06 -4.20 0.00 0.00 -0.03 0.00 0.00 56.01 51.85 2k6s n LEU 3 Cb 0.36 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 39.87 2k6s n LEU 3 CO 0.30 1.59 0.00 0.35 -1.33 0.00 0.00 177.39 178.29 2k6s n THR 4 N 4.26 0.00 -0.35 -5.08 -2.24 -1.26 -5.00 114.28 104.62 2k6s n THR 4 Ca 0.66 0.00 0.30 0.00 -2.27 0.00 0.00 64.05 62.74 2k6s n THR 4 Cb 0.29 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 69.14 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 0.39 0.00 4.78 3.20 -1.96 0.40 116.97 123.78 2k6s h TYR 5 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2k6s h TYR 5 Cb 0.00 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.16 2k6s h TYR 5 CO 0.00 0.00 0.00 1.49 -1.64 0.00 0.00 178.16 178.01 2k6s h GLU 6 N 0.20 0.00 0.19 1.82 4.81 -1.96 -2.40 114.58 117.24 2k6s h GLU 6 Ca 0.62 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.54 2k6s h GLU 6 Cb 1.96 0.00 0.02 0.00 0.63 0.00 0.00 28.75 31.36 2k6s h GLU 6 CO -0.20 0.00 -1.47 1.49 -0.73 0.00 0.00 179.01 178.10 2k6s h GLU 7 N 0.00 0.40 -0.09 1.92 4.22 -0.26 -3.31 114.58 117.46 2k6s h GLU 7 Ca 0.00 -0.69 -0.18 0.00 0.08 0.00 0.00 59.36 58.57 2k6s h GLU 7 Cb 0.56 0.26 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 2k6s h GLU 7 CO 0.00 1.33 -0.71 -0.24 -2.18 0.00 0.00 179.01 177.20 2k6s h VAL 8 N -0.03 1.37 -0.15 0.32 3.04 -1.50 -3.22 116.25 116.08 2k6s h VAL 8 Ca -0.28 -2.10 0.05 0.00 -1.01 0.00 0.00 66.70 63.36 2k6s h VAL 8 Cb 1.99 2.08 -0.06 0.00 -2.01 0.00 0.00 31.29 33.29 2k6s h VAL 8 CO 0.18 0.63 -0.24 -0.07 -1.01 0.00 0.00 177.57 177.07 2k6s h LEU 9 N 0.30 -0.73 -2.54 3.16 3.38 -1.56 -0.33 115.31 116.98 2k6s h LEU 9 Ca -0.03 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2k6s h LEU 9 Cb 1.29 0.33 -0.00 0.00 0.09 0.00 0.00 40.66 42.37 2k6s h LEU 9 CO 0.12 -0.28 -0.01 1.56 0.09 0.00 0.00 178.44 179.93 2k6s h GLN 10 N -0.29 0.00 0.16 1.13 1.08 -1.64 -2.89 115.11 112.65 2k6s h GLN 10 Ca 0.11 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 2k6s h GLN 10 Cb 0.45 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 2k6s h GLN 10 CO -0.31 0.01 -0.08 0.93 -0.95 0.00 0.00 178.83 178.42 2k6s h GLU 11 N 0.00 -0.21 -0.90 1.46 5.08 -1.07 -2.74 114.58 116.20 2k6s h GLU 11 Ca -0.00 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.51 2k6s h GLU 11 Cb 0.15 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.36 2k6s h GLU 11 CO 0.00 0.11 0.51 1.25 -1.00 0.00 0.00 179.01 179.89 2k6s h LEU 12 N -0.55 0.69 -0.67 1.33 7.12 -1.35 0.19 115.31 122.06 2k6s h LEU 12 Ca -0.02 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.06 2k6s h LEU 12 Cb 0.42 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.50 2k6s h LEU 12 CO 0.04 0.33 0.00 1.62 -0.13 0.00 0.00 178.44 180.30 2k6s h VAL 13 N 0.77 0.00 0.02 1.05 3.04 -1.59 -0.45 116.25 119.09 2k6s h VAL 13 Ca 0.47 -0.33 -0.21 0.00 -1.01 0.00 0.00 66.70 65.62 2k6s h VAL 13 Cb 0.57 1.15 -0.03 0.00 -2.01 0.00 0.00 31.29 30.97 2k6s h VAL 13 CO -0.31 0.00 -1.14 0.50 -1.01 0.00 0.00 177.57 175.61 2k6s h LYS 14 N 0.00 0.04 -0.37 4.17 3.64 -0.42 -3.01 116.57 120.62 2k6s h LYS 14 Ca 0.00 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.23 2k6s h LYS 14 Cb 0.46 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2k6s h LYS 14 CO 0.00 1.03 -0.11 0.45 -2.27 0.00 0.00 179.45 178.55 2k6s h HIS 15 N -0.87 0.71 -0.10 1.91 3.86 -0.91 -0.01 115.15 119.74 2k6s h HIS 15 Ca -0.30 -0.12 -0.05 0.00 -1.16 0.00 0.00 60.37 58.74 2k6s h HIS 15 Cb 1.35 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 29.63 2k6s h HIS 15 CO 0.13 0.74 -0.13 0.87 0.86 0.00 0.00 177.93 180.39 2k6s h LYS 16 N 0.59 0.27 -0.17 2.45 1.57 -1.24 -2.40 116.57 117.64 2k6s h LYS 16 Ca 0.11 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 2k6s h LYS 16 Cb 0.55 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2k6s h LYS 16 CO 0.03 0.71 -0.28 1.49 -0.57 0.00 0.00 179.45 180.84 2k6s h GLU 17 N -0.15 0.33 -0.69 3.15 4.81 -1.46 -2.75 114.58 117.81 2k6s h GLU 17 Ca 0.01 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.05 2k6s h GLU 17 Cb 0.68 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 2k6s h GLU 17 CO 0.03 0.59 0.14 -0.07 -0.73 0.00 0.00 179.01 178.97 2k6s h LEU 18 N 0.29 1.07 -1.51 1.64 3.38 -0.97 -2.39 115.31 116.82 2k6s h LEU 18 Ca 0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2k6s h LEU 18 Cb 0.65 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2k6s h LEU 18 CO 0.05 1.04 0.24 -0.07 0.09 0.00 0.00 178.44 179.78 2k6s h LEU 19 N 1.06 0.50 0.88 1.67 3.38 -1.14 -2.86 115.31 118.80 2k6s h LEU 19 Ca 0.21 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 2k6s h LEU 19 Cb 0.41 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.04 2k6s h LEU 19 CO 0.01 0.40 -0.42 0.03 0.09 0.00 0.00 178.44 178.54 2k6s h ARG 20 N 0.58 -1.14 -0.84 1.13 2.47 -1.28 -3.11 114.38 112.18 2k6s h ARG 20 Ca 0.15 0.08 0.21 0.00 -1.26 0.00 0.00 59.98 59.16 2k6s h ARG 20 Cb 0.00 0.26 -0.14 0.00 -1.65 0.00 0.00 29.97 28.44 2k6s h ARG 20 CO -0.03 -0.76 0.14 0.00 0.56 0.00 0.00 179.97 179.88 2k6s h ARG 21 N -1.26 0.16 -0.71 0.04 3.08 -1.37 0.40 114.38 114.71 2k6s h ARG 21 Ca -0.12 -0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.05 2k6s h ARG 21 Cb 0.91 -0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.79 2k6s h ARG 21 CO 0.20 0.10 -0.24 0.87 -1.07 0.00 0.00 179.97 179.83 2k6s h LYS 22 N 0.16 -0.05 0.42 0.04 1.57 -1.44 0.79 116.57 118.06 2k6s h LYS 22 Ca 0.51 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.27 2k6s h LYS 22 Cb 0.98 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2k6s h LYS 22 CO -0.68 -0.03 -0.20 -0.44 -0.57 0.00 0.00 179.45 177.53 2k6s h ASP 23 N -0.05 -0.48 -1.10 0.86 5.19 -1.02 -3.07 116.42 116.76 2k6s h ASP 23 Ca 0.32 0.02 0.33 0.00 -0.62 0.00 0.00 57.03 57.08 2k6s h ASP 23 Cb 0.55 0.12 -0.13 0.00 0.18 0.00 0.00 39.33 40.05 2k6s h ASP 23 CO -0.75 -0.06 0.67 0.74 -3.12 0.00 0.00 179.24 176.72 2k6s h THR 24 N -1.13 0.33 0.29 0.35 2.02 -0.65 -0.59 112.91 113.53 2k6s h THR 24 Ca -0.06 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 2k6s h THR 24 Cb 0.43 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2k6s h THR 24 CO 0.09 0.05 -0.14 -0.74 0.37 0.00 0.00 175.52 175.16 2k6s h HIS 25 N 0.29 -0.36 -0.46 3.16 6.17 0.53 -1.15 115.15 123.34 2k6s h HIS 25 Ca 0.71 -0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.82 2k6s h HIS 25 Cb 1.84 0.12 -0.04 0.00 2.52 0.00 0.00 27.41 31.86 2k6s h HIS 25 CO -0.01 -0.04 0.25 -0.84 0.71 0.00 0.00 177.93 178.01 2k6s h ILE 26 N -0.70 1.00 -0.89 6.26 3.07 -1.12 0.91 117.51 126.04 2k6s h ILE 26 Ca -0.04 -0.17 0.03 0.00 1.55 0.00 0.00 64.86 66.23 2k6s h ILE 26 Cb 0.48 0.46 -0.05 0.00 -0.27 0.00 0.00 36.82 37.44 2k6s h ILE 26 CO 0.06 0.09 0.59 -0.09 -1.05 0.00 0.00 178.15 177.75 2k6s h ARG 27 N 0.50 1.09 -0.07 0.16 1.12 -1.17 0.14 114.38 116.14 2k6s h ARG 27 Ca 0.19 -0.07 -0.03 0.00 -1.11 0.00 0.00 59.98 58.97 2k6s h ARG 27 Cb 0.06 -0.25 -0.00 0.00 -0.01 0.00 0.00 29.97 29.78 2k6s h ARG 27 CO -0.11 0.72 -0.05 1.05 -3.11 0.00 0.00 179.97 178.46 2k6s h GLU 28 N 1.12 0.17 0.00 0.20 -0.00 -0.47 -2.72 114.58 112.88 2k6s h GLU 28 Ca 0.35 -0.08 0.00 0.00 -0.00 0.00 0.00 59.36 59.63 2k6s h GLU 28 Cb 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.76 2k6s h GLU 28 CO -0.10 0.57 0.00 -0.11 -0.00 0.00 0.00 179.01 179.37 2k6s n LEU 29 N -4.73 0.04 0.14 3.06 7.94 0.25 -1.76 117.00 121.93 2k6s n LEU 29 Ca -0.07 0.51 0.01 0.00 -1.11 0.00 0.00 56.01 55.35 2k6s n LEU 29 Cb 0.28 -0.51 0.15 0.00 0.53 0.00 0.00 43.42 43.88 2k6s n LEU 29 CO 0.36 -0.33 0.50 -0.33 -1.11 0.00 0.00 177.39 176.48 2k6s h GLU 30 N 0.00 0.00 0.00 1.96 4.39 -0.40 -2.83 114.58 117.70 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 0.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2k6s h GLU 30 CO 0.00 0.57 -0.77 0.22 -1.16 0.00 0.00 179.01 177.88 2k6s h ASP 31 N 0.00 0.00 -0.30 1.42 1.82 -1.38 -2.79 116.42 115.19 2k6s h ASP 31 Ca -0.01 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.53 2k6s h ASP 31 Cb 1.19 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.20 2k6s h ASP 31 CO 0.07 0.53 -0.21 1.88 -1.61 0.00 0.00 179.24 179.91 2k6s h TYR 32 N 0.00 0.80 0.00 0.28 0.05 -1.50 -2.88 116.97 113.71 2k6s h TYR 32 Ca -0.05 -0.22 0.00 0.00 0.05 0.00 0.00 58.73 58.52 2k6s h TYR 32 Cb 1.45 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 39.01 2k6s h TYR 32 CO 0.00 0.93 -0.02 -0.89 -1.05 0.00 0.00 178.16 177.13 2k6s n ILE 33 N -4.32 0.29 0.06 -2.88 5.41 -1.08 -3.44 119.36 113.39 2k6s n ILE 33 Ca -0.03 -0.14 -0.02 0.00 1.00 0.00 0.00 62.75 63.56 2k6s n ILE 33 Cb 0.42 -0.52 0.25 0.00 -0.71 0.00 0.00 39.64 39.08 2k6s n ILE 33 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2k6s h ASP 34 N 0.00 0.36 -1.11 4.38 3.32 -1.26 -3.00 116.42 119.12 2k6s h ASP 34 Ca 0.00 -0.12 0.35 0.00 0.02 0.00 0.00 57.03 57.29 2k6s h ASP 34 Cb 0.62 -0.10 -0.14 0.00 0.22 0.00 0.00 39.33 39.93 2k6s h ASP 34 CO 0.00 0.63 0.67 0.78 -1.72 0.00 0.00 179.24 179.60 2k6s h ASN 35 N 0.32 0.41 -0.23 6.45 2.35 -1.60 0.72 115.58 124.00 2k6s h ASN 35 Ca 0.05 0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.91 2k6s h ASN 35 Cb 0.64 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 2k6s h ASN 35 CO 0.05 -0.13 -0.05 -0.07 -1.65 0.00 0.00 177.43 175.57 2k6s h LEU 36 N 0.24 0.44 -5.26 1.61 3.38 -1.78 -3.32 115.31 110.62 2k6s h LEU 36 Ca 0.75 -0.36 -0.60 0.00 0.09 0.00 0.00 57.88 57.76 2k6s h LEU 36 Cb 1.97 -0.12 -0.41 0.00 0.09 0.00 0.00 40.66 42.18 2k6s h LEU 36 CO -0.51 0.71 -0.59 0.00 0.09 0.00 0.00 178.44 178.14 2k6s n LEU 37 N -4.58 4.62 0.00 1.67 -0.00 0.17 -5.03 117.00 113.86 2k6s n LEU 37 Ca -0.04 -5.64 -0.08 0.00 -0.00 0.00 0.00 56.01 50.25 2k6s n LEU 37 Cb 0.29 -0.57 0.02 0.00 -0.00 0.00 0.00 43.42 43.16 2k6s n LEU 37 CO 0.39 2.34 0.44 0.55 -0.00 0.00 0.00 177.39 181.10 2k6s n VAL 38 N -0.26 0.00 -2.28 1.47 3.14 0.20 -4.87 118.33 115.72 2k6s n VAL 38 Ca 0.32 -0.89 -0.43 0.00 -2.96 0.00 0.00 64.34 60.38 2k6s n VAL 38 Cb 0.41 0.85 -0.02 0.00 -1.06 0.00 0.00 33.84 34.01 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 -2.12 3.65 0.14 1.45 6.06 -1.26 -4.87 118.95 122.00 2k6s s ARG 39 Ca 0.14 1.19 -0.21 0.00 -2.50 0.00 0.00 55.73 54.35 2k6s s ARG 39 Cb -0.04 -4.02 -0.07 0.00 0.06 0.00 0.00 34.95 30.88 2k6s s ARG 39 CO 0.11 -1.47 0.66 0.14 -2.50 0.00 0.00 175.30 172.24 2k6s s VAL 40 N 5.36 4.60 -0.88 7.11 -7.23 -1.26 -4.97 120.40 123.13 2k6s s VAL 40 Ca 0.64 1.34 0.07 0.00 -1.81 0.00 0.00 61.98 62.23 2k6s s VAL 40 Cb -0.17 -3.95 0.06 0.00 0.56 0.00 0.00 36.38 32.87 2k6s s VAL 40 CO 0.30 0.45 0.72 1.15 -0.31 0.00 0.00 175.10 177.42