#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 0.62 -3.39 1.61 7.64 -1.26 -4.70 113.62 114.13 2k6s n SER 2 Ca 0.00 -0.81 -0.40 0.00 1.01 0.00 0.00 58.87 58.67 2k6s n SER 2 Cb 0.00 0.95 -0.02 0.00 -1.01 0.00 0.00 64.21 64.12 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 -1.16 8.41 0.00 -3.43 -0.00 -1.26 -3.59 117.00 115.97 2k6s n LEU 3 Ca 0.02 -4.33 0.00 0.00 -0.00 0.00 0.00 56.01 51.70 2k6s n LEU 3 Cb 0.19 -1.58 0.00 0.00 -0.00 0.00 0.00 43.42 42.03 2k6s n LEU 3 CO 0.22 1.89 0.00 0.35 -0.00 0.00 0.00 177.39 179.86 2k6s n THR 4 N 3.86 0.00 -0.36 1.47 -2.24 -1.26 -4.98 114.28 110.76 2k6s n THR 4 Ca 0.74 0.00 0.29 0.00 -2.27 0.00 0.00 64.05 62.81 2k6s n THR 4 Cb 0.26 0.00 0.59 0.00 -2.10 0.00 0.00 70.33 69.08 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 0.52 0.00 4.78 3.20 -1.97 0.54 116.97 124.05 2k6s h TYR 5 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2k6s h TYR 5 Cb 0.00 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.13 2k6s h TYR 5 CO 0.00 -0.03 0.00 0.39 -1.64 0.00 0.00 178.16 176.88 2k6s n GLU 6 N -4.58 0.23 -0.03 1.82 1.02 -1.26 -2.53 120.64 115.32 2k6s n GLU 6 Ca 0.29 0.36 -0.17 0.00 -0.02 0.00 0.00 57.16 57.62 2k6s n GLU 6 Cb 1.10 -1.87 -0.13 0.00 -0.02 0.00 0.00 31.44 30.52 2k6s n GLU 6 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2k6s h GLU 7 N 0.00 0.12 -0.25 3.49 4.22 0.04 -3.33 114.58 118.86 2k6s h GLU 7 Ca 0.00 -0.20 -0.08 0.00 0.08 0.00 0.00 59.36 59.16 2k6s h GLU 7 Cb 0.51 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2k6s h GLU 7 CO 0.00 1.09 -0.19 -0.24 -2.18 0.00 0.00 179.01 177.49 2k6s h VAL 8 N -0.74 1.24 -0.08 0.32 3.04 -1.53 -3.00 116.25 115.50 2k6s h VAL 8 Ca -0.11 -1.12 0.04 0.00 -1.01 0.00 0.00 66.70 64.50 2k6s h VAL 8 Cb 1.30 1.26 -0.05 0.00 -2.01 0.00 0.00 31.29 31.79 2k6s h VAL 8 CO 0.03 0.36 -0.28 -0.07 -1.01 0.00 0.00 177.57 176.60 2k6s h LEU 9 N 0.41 -0.84 -2.11 3.16 3.38 -1.62 -0.00 115.31 117.67 2k6s h LEU 9 Ca 0.07 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2k6s h LEU 9 Cb 0.57 0.36 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2k6s h LEU 9 CO 0.04 -0.33 -0.01 1.56 0.09 0.00 0.00 178.44 179.79 2k6s h GLN 10 N -0.37 0.00 0.33 1.13 1.08 -1.65 -3.12 115.11 112.52 2k6s h GLN 10 Ca 0.09 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 2k6s h GLN 10 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2k6s h GLN 10 CO -0.29 0.01 -0.16 0.93 -0.95 0.00 0.00 178.83 178.36 2k6s h GLU 11 N 0.00 -0.43 -0.65 1.46 5.08 -0.89 -3.19 114.58 115.96 2k6s h GLU 11 Ca -0.00 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.53 2k6s h GLU 11 Cb 0.30 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 29.54 2k6s h GLU 11 CO 0.00 -0.13 0.04 1.25 -1.00 0.00 0.00 179.01 179.18 2k6s h LEU 12 N -0.98 -0.21 0.23 1.33 7.12 -1.29 -2.41 115.31 119.10 2k6s h LEU 12 Ca -0.05 0.15 0.01 0.00 0.13 0.00 0.00 57.88 58.13 2k6s h LEU 12 Cb 0.50 0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 40.85 2k6s h LEU 12 CO 0.08 -0.10 -0.38 1.62 -0.13 0.00 0.00 178.44 179.53 2k6s h VAL 13 N 0.15 0.23 -1.00 1.05 3.04 -1.65 -1.46 116.25 116.61 2k6s h VAL 13 Ca 0.35 0.00 0.24 0.00 -1.01 0.00 0.00 66.70 66.28 2k6s h VAL 13 Cb 0.57 0.23 -0.08 0.00 -2.01 0.00 0.00 31.29 30.00 2k6s h VAL 13 CO -0.53 0.00 0.65 0.11 -1.01 0.00 0.00 177.57 176.80 2k6s h LYS 14 N -0.68 0.38 -0.43 4.17 1.57 -1.43 0.28 116.57 120.42 2k6s h LYS 14 Ca 0.00 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 2k6s h LYS 14 Cb 0.66 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2k6s h LYS 14 CO -0.15 0.25 -0.29 0.45 -0.57 0.00 0.00 179.45 179.13 2k6s h HIS 15 N 0.39 1.12 -0.12 -1.35 3.86 -0.94 0.51 115.15 118.62 2k6s h HIS 15 Ca 0.55 -0.30 -0.17 0.00 -1.16 0.00 0.00 60.37 59.29 2k6s h HIS 15 Cb 1.41 -0.25 0.01 0.00 1.06 0.00 0.00 27.41 29.63 2k6s h HIS 15 CO -0.00 1.12 -0.58 0.87 0.86 0.00 0.00 177.93 180.21 2k6s h LYS 16 N 0.81 0.61 -0.13 2.45 1.57 0.18 -2.57 116.57 119.49 2k6s h LYS 16 Ca 0.09 -0.49 -0.12 0.00 -1.87 0.00 0.00 60.65 58.26 2k6s h LYS 16 Cb 0.88 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 2k6s h LYS 16 CO 0.08 1.11 -0.44 1.49 -0.57 0.00 0.00 179.45 181.12 2k6s h GLU 17 N 0.25 0.30 -0.37 3.15 4.81 -0.59 -2.02 114.58 120.11 2k6s h GLU 17 Ca -0.04 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 58.92 2k6s h GLU 17 Cb 1.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2k6s h GLU 17 CO 0.12 0.69 -0.25 -0.07 -0.73 0.00 0.00 179.01 178.77 2k6s h LEU 18 N 0.24 0.86 -0.95 1.64 3.38 -0.91 -2.25 115.31 117.33 2k6s h LEU 18 Ca 0.02 -0.43 -0.09 0.00 0.09 0.00 0.00 57.88 57.47 2k6s h LEU 18 Cb 0.88 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2k6s h LEU 18 CO 0.07 1.11 -0.18 -0.07 0.09 0.00 0.00 178.44 179.46 2k6s h LEU 19 N 0.62 0.55 0.89 1.67 3.38 -1.37 -2.49 115.31 118.57 2k6s h LEU 19 Ca 0.07 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2k6s h LEU 19 Cb 0.82 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.43 2k6s h LEU 19 CO 0.07 0.75 -0.43 0.03 0.09 0.00 0.00 178.44 178.95 2k6s h ARG 20 N 0.50 -1.15 -1.00 1.13 3.08 -1.20 -3.06 114.38 112.68 2k6s h ARG 20 Ca 0.08 0.08 0.19 0.00 0.07 0.00 0.00 59.98 60.40 2k6s h ARG 20 Cb 0.60 0.26 -0.11 0.00 0.08 0.00 0.00 29.97 30.81 2k6s h ARG 20 CO 0.04 -0.77 0.61 -0.09 -1.07 0.00 0.00 179.97 178.70 2k6s h ARG 21 N -1.32 0.74 -0.90 0.04 2.43 -1.41 -1.15 114.38 112.81 2k6s h ARG 21 Ca -0.12 -0.04 0.25 0.00 -0.81 0.00 0.00 59.98 59.26 2k6s h ARG 21 Cb 0.91 -0.17 -0.15 0.00 -0.42 0.00 0.00 29.97 30.15 2k6s h ARG 21 CO 0.20 0.49 0.24 -0.22 -1.51 0.00 0.00 179.97 179.17 2k6s h LYS 22 N 0.77 0.17 0.17 0.20 3.64 -1.33 0.60 116.57 120.79 2k6s h LYS 22 Ca 0.58 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.94 2k6s h LYS 22 Cb 0.89 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2k6s h LYS 22 CO -0.37 0.11 -0.08 -0.44 -2.27 0.00 0.00 179.45 176.39 2k6s h ASP 23 N 0.17 -0.20 -1.14 4.20 5.19 -1.26 -2.90 116.42 120.49 2k6s h ASP 23 Ca 0.58 -0.25 0.32 0.00 -0.62 0.00 0.00 57.03 57.06 2k6s h ASP 23 Cb 1.22 0.05 -0.10 0.00 0.18 0.00 0.00 39.33 40.68 2k6s h ASP 23 CO -0.69 0.36 0.75 0.74 -3.12 0.00 0.00 179.24 177.27 2k6s h THR 24 N -0.97 0.40 -0.02 0.35 2.02 -0.87 0.38 112.91 114.19 2k6s h THR 24 Ca -0.02 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 2k6s h THR 24 Cb 0.44 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2k6s h THR 24 CO 0.04 0.05 -0.10 -0.74 0.37 0.00 0.00 175.52 175.13 2k6s h HIS 25 N 0.26 0.15 0.00 3.16 6.17 0.09 0.53 115.15 125.51 2k6s h HIS 25 Ca 0.65 -0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.67 2k6s h HIS 25 Cb 1.90 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 31.81 2k6s h HIS 25 CO -0.00 0.75 0.00 0.44 0.71 0.00 0.00 177.93 179.83 2k6s n ILE 26 N -4.66 0.82 0.01 6.26 -6.64 -0.29 -1.43 119.36 113.43 2k6s n ILE 26 Ca -0.09 0.24 -0.22 0.00 -1.77 0.00 0.00 62.75 60.91 2k6s n ILE 26 Cb 0.39 -1.18 -0.14 0.00 -1.44 0.00 0.00 39.64 37.27 2k6s n ILE 26 CO 0.00 0.00 0.00 -0.09 -1.77 0.00 0.00 176.55 174.69 2k6s h ARG 27 N 0.00 0.27 -0.41 6.28 2.43 -0.23 -3.22 114.38 119.50 2k6s h ARG 27 Ca 0.00 -0.45 -0.13 0.00 -0.81 0.00 0.00 59.98 58.58 2k6s h ARG 27 Cb 0.36 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2k6s h ARG 27 CO 0.00 1.22 -0.26 1.05 -1.51 0.00 0.00 179.97 180.47 2k6s h GLU 28 N -0.13 0.90 0.00 0.20 -0.00 -0.68 -2.36 114.58 112.51 2k6s h GLU 28 Ca -0.37 -0.42 0.00 0.00 -0.00 0.00 0.00 59.36 58.57 2k6s h GLU 28 Cb 1.90 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 30.64 2k6s h GLU 28 CO 0.07 1.07 0.00 -0.11 -0.00 0.00 0.00 179.01 180.04 2k6s n LEU 29 N -4.16 0.00 0.11 3.06 7.94 -0.52 -2.07 117.00 121.37 2k6s n LEU 29 Ca -0.01 0.43 -0.02 0.00 -1.11 0.00 0.00 56.01 55.29 2k6s n LEU 29 Cb 0.47 -0.43 0.05 0.00 0.53 0.00 0.00 43.42 44.04 2k6s n LEU 29 CO 0.46 -0.22 0.37 -0.33 -1.11 0.00 0.00 177.39 176.56 2k6s h GLU 30 N 0.00 0.00 0.00 1.96 4.39 -1.42 -2.77 114.58 116.73 2k6s h GLU 30 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2k6s h GLU 30 Cb 0.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2k6s h GLU 30 CO 0.00 0.73 -0.28 -0.44 -1.16 0.00 0.00 179.01 177.86 2k6s h ASP 31 N 0.00 0.00 -0.16 1.42 3.32 -1.48 -2.25 116.42 117.27 2k6s h ASP 31 Ca -0.01 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 2k6s h ASP 31 Cb 1.40 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.96 2k6s h ASP 31 CO 0.09 0.20 -0.74 1.88 -1.72 0.00 0.00 179.24 178.95 2k6s h TYR 32 N 0.00 1.05 0.00 4.55 0.05 -1.54 -3.01 116.97 118.07 2k6s h TYR 32 Ca -0.01 -0.46 0.00 0.00 0.05 0.00 0.00 58.73 58.31 2k6s h TYR 32 Cb 1.15 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.73 2k6s h TYR 32 CO 0.00 1.29 -0.09 -0.89 -1.05 0.00 0.00 178.16 177.42 2k6s n ILE 33 N -3.97 0.46 0.05 -2.88 5.41 -1.06 -3.45 119.36 113.92 2k6s n ILE 33 Ca -0.07 -0.23 -0.06 0.00 1.00 0.00 0.00 62.75 63.39 2k6s n ILE 33 Cb 0.73 -0.49 0.12 0.00 -0.71 0.00 0.00 39.64 39.29 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 0.40 -1.13 4.38 5.19 -1.26 -3.14 116.42 120.86 2k6s h ASP 34 Ca 0.00 -0.21 0.37 0.00 -0.62 0.00 0.00 57.03 56.57 2k6s h ASP 34 Cb 0.70 -0.12 -0.14 0.00 0.18 0.00 0.00 39.33 39.95 2k6s h ASP 34 CO 0.00 0.85 0.69 0.78 -3.12 0.00 0.00 179.24 178.44 2k6s h ASN 35 N 0.29 0.38 -0.22 6.45 2.35 -1.58 0.72 115.58 123.98 2k6s h ASN 35 Ca 0.01 0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.89 2k6s h ASN 35 Cb 1.01 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 2k6s h ASN 35 CO 0.09 -0.16 -0.00 -0.07 -1.65 0.00 0.00 177.43 175.63 2k6s h LEU 36 N 0.21 0.39 -5.29 1.61 3.38 -1.79 -3.31 115.31 110.51 2k6s h LEU 36 Ca 0.76 -0.31 -0.60 0.00 0.09 0.00 0.00 57.88 57.82 2k6s h LEU 36 Cb 2.06 -0.10 -0.41 0.00 0.09 0.00 0.00 40.66 42.29 2k6s h LEU 36 CO -0.51 0.61 -0.57 0.00 0.09 0.00 0.00 178.44 178.05 2k6s n LEU 37 N -4.66 4.64 0.00 1.67 -0.00 0.20 -5.03 117.00 113.82 2k6s n LEU 37 Ca -0.04 -5.65 -0.08 0.00 -0.00 0.00 0.00 56.01 50.24 2k6s n LEU 37 Cb 0.24 -0.58 0.01 0.00 -0.00 0.00 0.00 43.42 43.09 2k6s n LEU 37 CO 0.37 2.34 0.34 0.55 -0.00 0.00 0.00 177.39 181.00 2k6s n VAL 38 N -0.26 0.00 -2.33 1.47 3.14 0.18 -4.88 118.33 115.65 2k6s n VAL 38 Ca 0.32 -0.97 -0.43 0.00 -2.96 0.00 0.00 64.34 60.30 2k6s n VAL 38 Cb 0.40 0.82 -0.02 0.00 -1.06 0.00 0.00 33.84 33.97 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 -2.23 3.53 0.46 1.45 6.06 -1.26 -4.88 118.95 122.07 2k6s s ARG 39 Ca 0.16 0.91 -0.12 0.00 -2.50 0.00 0.00 55.73 54.18 2k6s s ARG 39 Cb -0.03 -4.05 -0.07 0.00 0.06 0.00 0.00 34.95 30.87 2k6s s ARG 39 CO 0.12 -1.63 0.85 0.14 -2.50 0.00 0.00 175.30 172.28 2k6s s VAL 40 N 5.60 4.71 0.00 7.11 -7.23 -1.26 -4.99 120.40 124.34 2k6s s VAL 40 Ca 0.62 0.81 0.00 0.00 -1.81 0.00 0.00 61.98 61.59 2k6s s VAL 40 Cb -0.14 -3.74 0.00 0.00 0.56 0.00 0.00 36.38 33.06 2k6s s VAL 40 CO 0.32 -0.62 0.18 1.15 -0.31 0.00 0.00 175.10 175.82