#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 2.56 -3.19 1.61 7.64 -1.26 -4.63 113.62 116.36 2k6s n SER 2 Ca 0.00 -1.76 -0.36 0.00 1.01 0.00 0.00 58.87 57.77 2k6s n SER 2 Cb 0.00 -0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.13 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 0.99 7.72 0.00 -3.43 4.77 -1.26 -3.57 117.00 122.23 2k6s n LEU 3 Ca 0.11 -4.57 0.00 0.00 -0.03 0.00 0.00 56.01 51.52 2k6s n LEU 3 Cb 0.44 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 2k6s n LEU 3 CO 0.11 1.99 0.00 0.35 -1.33 0.00 0.00 177.39 178.51 2k6s n THR 4 N 1.89 0.00 -0.39 -5.08 -2.24 -1.26 -4.95 114.28 102.24 2k6s n THR 4 Ca 0.61 0.00 0.33 0.00 -2.27 0.00 0.00 64.05 62.72 2k6s n THR 4 Cb 0.34 0.00 0.60 0.00 -2.10 0.00 0.00 70.33 69.17 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 0.67 0.00 4.78 3.20 -1.96 0.94 116.97 124.59 2k6s h TYR 5 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2k6s h TYR 5 Cb 0.00 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.10 2k6s h TYR 5 CO 0.00 -0.25 0.00 0.93 -1.64 0.00 0.00 178.16 177.20 2k6s h GLU 6 N 0.12 0.00 0.03 1.82 5.08 -1.96 -2.60 114.58 117.07 2k6s h GLU 6 Ca 0.80 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 59.08 2k6s h GLU 6 Cb 2.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.54 2k6s h GLU 6 CO -0.52 0.00 -0.44 1.49 -1.00 0.00 0.00 179.01 178.53 2k6s h GLU 7 N 0.00 0.06 -0.29 2.33 4.22 0.87 -3.32 114.58 118.43 2k6s h GLU 7 Ca 0.00 -0.09 -0.11 0.00 0.08 0.00 0.00 59.36 59.23 2k6s h GLU 7 Cb 0.52 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2k6s h GLU 7 CO 0.00 1.05 -0.28 -0.24 -2.18 0.00 0.00 179.01 177.35 2k6s h VAL 8 N -0.87 1.28 -0.45 0.32 3.04 -1.55 -3.12 116.25 114.89 2k6s h VAL 8 Ca -0.11 -1.37 0.08 0.00 -1.01 0.00 0.00 66.70 64.30 2k6s h VAL 8 Cb 1.19 1.36 -0.07 0.00 -2.01 0.00 0.00 31.29 31.76 2k6s h VAL 8 CO -0.02 0.44 0.02 -0.07 -1.01 0.00 0.00 177.57 176.94 2k6s h LEU 9 N 0.52 -0.14 -1.80 3.16 3.38 -1.61 0.13 115.31 118.94 2k6s h LEU 9 Ca 0.07 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2k6s h LEU 9 Cb 0.75 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2k6s h LEU 9 CO 0.06 -0.04 -0.04 1.56 0.09 0.00 0.00 178.44 180.07 2k6s h GLN 10 N 0.14 0.00 0.03 1.13 1.08 -1.64 -2.41 115.11 113.44 2k6s h GLN 10 Ca 0.23 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.18 2k6s h GLN 10 Cb 0.32 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 2k6s h GLN 10 CO -0.36 0.04 -1.24 0.93 -0.95 0.00 0.00 178.83 177.25 2k6s h GLU 11 N 0.00 0.07 0.59 1.46 5.08 -0.85 -2.92 114.58 118.00 2k6s h GLU 11 Ca -0.00 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2k6s h GLU 11 Cb 0.41 0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.71 2k6s h GLU 11 CO 0.00 0.95 -0.28 1.25 -1.00 0.00 0.00 179.01 179.94 2k6s h LEU 12 N 0.02 -0.67 0.17 1.33 7.12 -0.38 -2.97 115.31 119.92 2k6s h LEU 12 Ca -0.11 -0.03 0.01 0.00 0.13 0.00 0.00 57.88 57.88 2k6s h LEU 12 Cb 1.88 0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 42.15 2k6s h LEU 12 CO 0.14 -0.30 -0.28 1.62 -0.13 0.00 0.00 178.44 179.48 2k6s h VAL 13 N -1.10 0.39 -0.97 1.05 3.04 -1.63 -2.53 116.25 114.50 2k6s h VAL 13 Ca -0.08 0.00 0.31 0.00 -1.01 0.00 0.00 66.70 65.92 2k6s h VAL 13 Cb 0.66 0.39 -0.17 0.00 -2.01 0.00 0.00 31.29 30.15 2k6s h VAL 13 CO 0.13 0.00 0.30 0.50 -1.01 0.00 0.00 177.57 177.49 2k6s h LYS 14 N -0.53 0.09 0.23 4.17 3.64 -1.59 -0.05 116.57 122.53 2k6s h LYS 14 Ca 0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2k6s h LYS 14 Cb 0.53 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2k6s h LYS 14 CO -0.14 0.06 -0.11 0.45 -2.27 0.00 0.00 179.45 177.44 2k6s h HIS 15 N 0.09 -0.28 -0.97 1.91 3.86 -1.28 -0.03 115.15 118.45 2k6s h HIS 15 Ca 0.68 -0.01 0.27 0.00 -1.16 0.00 0.00 60.37 60.16 2k6s h HIS 15 Cb 1.57 0.09 -0.14 0.00 1.06 0.00 0.00 27.41 29.99 2k6s h HIS 15 CO -0.23 -0.18 0.49 0.87 0.86 0.00 0.00 177.93 179.74 2k6s h LYS 16 N -0.31 0.37 -0.13 2.45 1.57 -1.16 0.29 116.57 119.65 2k6s h LYS 16 Ca -0.03 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 2k6s h LYS 16 Cb 0.24 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2k6s h LYS 16 CO 0.05 0.24 -0.48 1.49 -0.57 0.00 0.00 179.45 180.18 2k6s h GLU 17 N 0.38 0.34 -0.56 3.15 4.22 -0.98 -1.01 114.58 120.13 2k6s h GLU 17 Ca 0.66 -0.19 -0.11 0.00 0.08 0.00 0.00 59.36 59.79 2k6s h GLU 17 Cb 1.38 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 2k6s h GLU 17 CO -0.57 0.75 -0.09 -0.07 -2.18 0.00 0.00 179.01 176.86 2k6s h LEU 18 N 0.28 1.04 -0.80 1.64 3.38 0.15 -1.86 115.31 119.14 2k6s h LEU 18 Ca 0.01 -0.34 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 2k6s h LEU 18 Cb 0.95 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2k6s h LEU 18 CO 0.08 1.14 -0.40 -0.07 0.09 0.00 0.00 178.44 179.27 2k6s h LEU 19 N 0.93 0.44 0.83 1.67 3.38 -0.99 -2.36 115.31 119.21 2k6s h LEU 19 Ca 0.15 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2k6s h LEU 19 Cb 0.66 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.29 2k6s h LEU 19 CO 0.05 0.80 -0.40 0.03 0.09 0.00 0.00 178.44 179.01 2k6s h ARG 20 N 0.35 -1.07 -0.90 1.13 2.47 -0.83 -2.84 114.38 112.68 2k6s h ARG 20 Ca 0.03 0.07 0.12 0.00 -1.26 0.00 0.00 59.98 58.94 2k6s h ARG 20 Cb 0.86 0.24 -0.07 0.00 -1.65 0.00 0.00 29.97 29.36 2k6s h ARG 20 CO 0.07 -0.71 0.58 -0.09 0.56 0.00 0.00 179.97 180.38 2k6s h ARG 21 N -1.26 0.80 -0.38 0.04 2.43 -1.40 -1.99 114.38 112.63 2k6s h ARG 21 Ca -0.11 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.08 2k6s h ARG 21 Cb 0.85 -0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 30.16 2k6s h ARG 21 CO 0.19 0.53 -0.03 -0.22 -1.51 0.00 0.00 179.97 178.93 2k6s h LYS 22 N 0.82 0.07 0.00 0.20 3.64 -1.34 0.82 116.57 120.78 2k6s h LYS 22 Ca 0.43 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.80 2k6s h LYS 22 Cb 0.53 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2k6s h LYS 22 CO -0.20 0.04 -0.05 -0.44 -2.27 0.00 0.00 179.45 176.53 2k6s h ASP 23 N 0.07 0.00 0.74 4.20 5.19 -1.13 -2.47 116.42 123.03 2k6s h ASP 23 Ca 0.19 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.47 2k6s h ASP 23 Cb 0.27 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 2k6s h ASP 23 CO -0.34 0.05 -1.35 0.41 -3.12 0.00 0.00 179.24 174.90 2k6s n THR 24 N -3.19 1.04 0.01 0.35 -1.04 -0.11 -3.36 114.28 107.98 2k6s n THR 24 Ca 0.00 -0.66 -0.18 0.00 -2.04 0.00 0.00 64.05 61.17 2k6s n THR 24 Cb 0.31 -0.63 -0.10 0.00 -1.82 0.00 0.00 70.33 68.09 2k6s n THR 24 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 2k6s h HIS 25 N 0.00 0.87 0.00 -1.42 6.17 0.85 -1.00 115.15 120.63 2k6s h HIS 25 Ca -0.13 -0.44 0.00 0.00 0.71 0.00 0.00 60.37 60.51 2k6s h HIS 25 Cb 1.45 -0.11 0.00 0.00 2.52 0.00 0.00 27.41 31.27 2k6s h HIS 25 CO 0.00 1.26 0.00 -0.84 0.71 0.00 0.00 177.93 179.06 2k6s h ILE 26 N 0.23 0.00 0.13 6.26 3.07 -1.60 -2.00 117.51 123.60 2k6s h ILE 26 Ca -0.08 -0.35 -0.35 0.00 1.55 0.00 0.00 64.86 65.62 2k6s h ILE 26 Cb 1.44 1.19 -0.01 0.00 -0.27 0.00 0.00 36.82 39.17 2k6s h ILE 26 CO 0.16 0.00 -1.89 -0.09 -1.05 0.00 0.00 178.15 175.27 2k6s h ARG 27 N 0.00 0.27 -0.39 0.16 2.43 -1.53 -3.14 114.38 112.17 2k6s h ARG 27 Ca 0.00 -0.46 -0.12 0.00 -0.81 0.00 0.00 59.98 58.59 2k6s h ARG 27 Cb 0.47 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 2k6s h ARG 27 CO 0.00 1.17 -0.23 1.05 -1.51 0.00 0.00 179.97 180.45 2k6s h GLU 28 N 0.07 0.85 0.00 0.20 4.11 -1.03 -2.39 114.58 116.40 2k6s h GLU 28 Ca -0.38 -0.39 0.00 0.00 0.07 0.00 0.00 59.36 58.66 2k6s h GLU 28 Cb 2.05 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.28 2k6s h GLU 28 CO 0.11 1.03 0.00 -0.11 0.07 0.00 0.00 179.01 180.11 2k6s n LEU 29 N -4.21 0.49 0.07 3.06 7.94 -0.76 -2.17 117.00 121.42 2k6s n LEU 29 Ca -0.02 0.61 -0.06 0.00 -1.11 0.00 0.00 56.01 55.43 2k6s n LEU 29 Cb 0.45 -0.52 -0.07 0.00 0.53 0.00 0.00 43.42 43.81 2k6s n LEU 29 CO 0.45 -0.41 0.20 -0.33 -1.11 0.00 0.00 177.39 176.20 2k6s h GLU 30 N 0.00 0.00 0.33 1.96 4.39 -1.38 -3.21 114.58 116.68 2k6s h GLU 30 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2k6s h GLU 30 Cb 0.39 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2k6s h GLU 30 CO 0.00 0.93 -0.20 0.22 -1.16 0.00 0.00 179.01 178.80 2k6s h ASP 31 N 0.00 -0.50 -0.99 1.42 1.82 -1.26 -2.66 116.42 114.25 2k6s h ASP 31 Ca -0.01 0.03 0.16 0.00 -0.39 0.00 0.00 57.03 56.82 2k6s h ASP 31 Cb 1.65 0.14 -0.09 0.00 0.68 0.00 0.00 39.33 41.71 2k6s h ASP 31 CO 0.12 -0.31 0.62 1.88 -1.61 0.00 0.00 179.24 179.94 2k6s h TYR 32 N -0.50 1.03 -0.00 0.28 0.05 -1.71 0.24 116.97 116.36 2k6s h TYR 32 Ca -0.05 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2k6s h TYR 32 Cb 0.40 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 37.82 2k6s h TYR 32 CO 0.03 0.31 0.01 0.82 -1.05 0.00 0.00 178.16 178.28 2k6s h ILE 33 N 0.81 0.21 0.04 -2.88 2.04 -1.53 -0.61 117.51 115.59 2k6s h ILE 33 Ca 0.53 0.00 -0.24 0.00 1.00 0.00 0.00 64.86 66.15 2k6s h ILE 33 Cb 0.77 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 2k6s h ILE 33 CO -0.31 0.00 -1.04 -0.78 0.00 0.00 0.00 178.15 176.03 2k6s h ASP 34 N 0.00 0.48 -1.00 1.72 3.58 -0.15 -3.29 116.42 117.75 2k6s h ASP 34 Ca 0.00 -0.42 0.38 0.00 0.42 0.00 0.00 57.03 57.41 2k6s h ASP 34 Cb 0.02 -0.15 -0.17 0.00 1.72 0.00 0.00 39.33 40.75 2k6s h ASP 34 CO -0.00 1.25 0.52 0.78 -2.88 0.00 0.00 179.24 178.91 2k6s h ASN 35 N 0.17 0.34 -0.30 2.28 2.35 -1.02 1.00 115.58 120.39 2k6s h ASN 35 Ca -0.10 0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2k6s h ASN 35 Cb 1.70 0.24 -0.01 0.00 0.05 0.00 0.00 38.32 40.30 2k6s h ASN 35 CO 0.17 -0.35 0.13 -0.07 -1.65 0.00 0.00 177.43 175.67 2k6s h LEU 36 N 0.10 0.41 -5.37 1.61 3.38 -1.69 -3.24 115.31 110.50 2k6s h LEU 36 Ca 0.80 -0.15 -0.62 0.00 0.09 0.00 0.00 57.88 58.01 2k6s h LEU 36 Cb 2.03 -0.11 -0.40 0.00 0.09 0.00 0.00 40.66 42.27 2k6s h LEU 36 CO -0.73 0.44 -0.45 0.00 0.09 0.00 0.00 178.44 177.80 2k6s n LEU 37 N -4.75 4.84 0.00 1.67 -0.00 0.30 -5.02 117.00 114.04 2k6s n LEU 37 Ca -0.02 -5.64 -0.07 0.00 -0.00 0.00 0.00 56.01 50.29 2k6s n LEU 37 Cb 0.12 -0.63 0.01 0.00 -0.00 0.00 0.00 43.42 42.92 2k6s n LEU 37 CO 0.36 2.32 0.31 0.55 -0.00 0.00 0.00 177.39 180.93 2k6s n VAL 38 N -0.24 0.00 -2.48 1.47 3.14 0.14 -4.87 118.33 115.49 2k6s n VAL 38 Ca 0.33 -0.74 -0.43 0.00 -2.96 0.00 0.00 64.34 60.54 2k6s n VAL 38 Cb 0.38 0.66 -0.02 0.00 -1.06 0.00 0.00 33.84 33.80 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 -2.14 3.91 0.21 1.45 6.06 -1.26 -4.88 118.95 122.30 2k6s s ARG 39 Ca 0.12 1.12 -0.09 0.00 -2.50 0.00 0.00 55.73 54.38 2k6s s ARG 39 Cb -0.03 -3.86 -0.07 0.00 0.06 0.00 0.00 34.95 31.05 2k6s s ARG 39 CO 0.09 -1.12 0.53 0.14 -2.50 0.00 0.00 175.30 172.43 2k6s s VAL 40 N 4.29 4.95 0.00 7.11 -7.23 -1.26 -4.97 120.40 123.29 2k6s s VAL 40 Ca 0.53 0.45 0.00 0.00 -1.81 0.00 0.00 61.98 61.15 2k6s s VAL 40 Cb -0.15 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.17 2k6s s VAL 40 CO 0.23 -0.04 0.42 1.15 -0.31 0.00 0.00 175.10 176.55