#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 2.27 -2.22 1.61 7.64 -1.26 -4.68 113.62 116.98 2k6s n SER 2 Ca 0.00 -1.70 -0.19 0.00 1.01 0.00 0.00 58.87 57.99 2k6s n SER 2 Cb 0.00 -0.10 -0.11 0.00 -1.01 0.00 0.00 64.21 62.99 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 0.41 5.84 0.00 -3.43 -0.00 -1.26 -3.93 117.00 114.63 2k6s n LEU 3 Ca 0.07 -3.59 0.00 0.00 -0.00 0.00 0.00 56.01 52.50 2k6s n LEU 3 Cb 0.31 -1.32 0.00 0.00 -0.00 0.00 0.00 43.42 42.41 2k6s n LEU 3 CO 0.06 1.70 0.00 0.35 -0.00 0.00 0.00 177.39 179.50 2k6s n THR 4 N 1.69 0.00 0.26 1.47 -2.24 -1.26 -4.97 114.28 109.23 2k6s n THR 4 Ca 0.45 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.40 2k6s n THR 4 Cb 0.74 0.00 0.91 0.00 -2.10 0.00 0.00 70.33 69.87 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 0.04 0.00 0.00 4.78 3.20 -1.98 0.47 116.97 123.48 2k6s h TYR 5 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2k6s h TYR 5 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2k6s h TYR 5 CO 0.00 0.00 0.00 0.39 -1.64 0.00 0.00 178.16 176.91 2k6s n GLU 6 N -3.64 0.08 -0.10 1.82 1.02 -1.26 -2.34 120.64 116.21 2k6s n GLU 6 Ca -0.01 0.10 -0.11 0.00 -0.02 0.00 0.00 57.16 57.12 2k6s n GLU 6 Cb 0.23 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.00 2k6s n GLU 6 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2k6s n GLU 7 N -1.45 0.73 0.04 3.49 0.00 0.14 -4.24 120.64 119.35 2k6s n GLU 7 Ca 0.07 0.01 -0.16 0.00 0.00 0.00 0.00 57.16 57.08 2k6s n GLU 7 Cb 0.25 -1.51 -0.06 0.00 0.00 0.00 0.00 31.44 30.11 2k6s n GLU 7 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 2k6s h VAL 8 N 0.00 1.33 -0.70 6.31 3.04 -1.46 -3.24 116.25 121.54 2k6s h VAL 8 Ca -0.55 -2.28 0.08 0.00 -1.01 0.00 0.00 66.70 62.95 2k6s h VAL 8 Cb 2.18 2.32 -0.07 0.00 -2.01 0.00 0.00 31.29 33.71 2k6s h VAL 8 CO 0.01 0.70 0.36 0.25 -1.01 0.00 0.00 177.57 177.87 2k6s h LEU 9 N 0.34 0.49 -2.52 3.16 6.46 -1.68 0.10 115.31 121.66 2k6s h LEU 9 Ca -0.09 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 2k6s h LEU 9 Cb 1.58 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.47 2k6s h LEU 9 CO 0.18 0.29 0.00 1.56 -0.62 0.00 0.00 178.44 179.85 2k6s h GLN 10 N 0.62 0.00 0.18 1.25 1.08 -1.73 -2.75 115.11 113.77 2k6s h GLN 10 Ca 0.33 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.52 2k6s h GLN 10 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2k6s h GLN 10 CO -0.24 0.00 -0.09 0.93 -0.95 0.00 0.00 178.83 178.48 2k6s h GLU 11 N 0.00 -0.23 -0.81 1.46 5.08 -0.85 -3.16 114.58 116.07 2k6s h GLU 11 Ca 0.00 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.54 2k6s h GLU 11 Cb 0.11 0.05 -0.15 0.00 0.50 0.00 0.00 28.75 29.26 2k6s h GLU 11 CO 0.00 0.16 -0.22 1.25 -1.00 0.00 0.00 179.01 179.20 2k6s h LEU 12 N -0.72 -0.80 0.74 1.33 7.12 -1.44 -0.89 115.31 120.67 2k6s h LEU 12 Ca -0.02 0.25 -0.03 0.00 0.13 0.00 0.00 57.88 58.20 2k6s h LEU 12 Cb 0.50 0.52 -0.00 0.00 -0.53 0.00 0.00 40.66 41.14 2k6s h LEU 12 CO 0.04 -0.27 -0.47 1.62 -0.13 0.00 0.00 178.44 179.23 2k6s h VAL 13 N -0.01 0.00 -0.96 1.05 3.04 -1.65 -0.83 116.25 116.89 2k6s h VAL 13 Ca 0.38 0.00 0.30 0.00 -1.01 0.00 0.00 66.70 66.37 2k6s h VAL 13 Cb 0.59 0.00 -0.16 0.00 -2.01 0.00 0.00 31.29 29.72 2k6s h VAL 13 CO -0.84 0.00 0.37 0.50 -1.01 0.00 0.00 177.57 176.60 2k6s h LYS 14 N -1.14 0.18 0.00 4.17 3.64 -1.31 0.24 116.57 122.35 2k6s h LYS 14 Ca -0.10 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2k6s h LYS 14 Cb 0.92 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 2k6s h LYS 14 CO 0.09 0.12 0.00 0.72 -2.27 0.00 0.00 179.45 178.11 2k6s n HIS 15 N -5.21 0.00 -0.32 1.91 8.25 -0.42 -0.96 115.22 118.48 2k6s n HIS 15 Ca 0.28 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.92 2k6s n HIS 15 Cb 0.90 -0.49 0.37 0.00 1.12 0.00 0.00 29.99 31.89 2k6s n HIS 15 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2k6s h LYS 16 N 0.00 0.12 0.73 -0.41 1.57 -0.35 -0.74 116.57 117.49 2k6s h LYS 16 Ca 0.00 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2k6s h LYS 16 Cb 0.00 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.29 2k6s h LYS 16 CO 0.00 0.08 -0.35 1.49 -0.57 0.00 0.00 179.45 180.10 2k6s h GLU 17 N 0.13 -0.94 -0.98 3.15 4.81 -0.56 -0.73 114.58 119.45 2k6s h GLU 17 Ca 0.65 0.06 0.32 0.00 -0.13 0.00 0.00 59.36 60.27 2k6s h GLU 17 Cb 1.44 0.21 -0.17 0.00 0.63 0.00 0.00 28.75 30.86 2k6s h GLU 17 CO -0.75 -0.63 0.32 -0.07 -0.73 0.00 0.00 179.01 177.15 2k6s h LEU 18 N -1.11 0.02 -0.54 1.64 3.38 0.34 0.99 115.31 120.02 2k6s h LEU 18 Ca -0.10 0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 2k6s h LEU 18 Cb 0.75 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2k6s h LEU 18 CO 0.16 -0.32 -0.45 -0.07 0.09 0.00 0.00 178.44 177.85 2k6s h LEU 19 N 0.08 0.71 0.90 1.67 3.38 -1.13 -1.67 115.31 119.24 2k6s h LEU 19 Ca 0.70 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 58.28 2k6s h LEU 19 Cb 1.63 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 42.19 2k6s h LEU 19 CO -0.78 1.06 -0.43 0.03 0.09 0.00 0.00 178.44 178.41 2k6s h ARG 20 N 0.53 -1.16 -0.90 1.13 2.47 0.25 -1.71 114.38 114.99 2k6s h ARG 20 Ca 0.03 0.08 0.10 0.00 -1.26 0.00 0.00 59.98 58.93 2k6s h ARG 20 Cb 0.99 0.26 -0.06 0.00 -1.65 0.00 0.00 29.97 29.51 2k6s h ARG 20 CO 0.09 -0.77 0.58 -0.09 0.56 0.00 0.00 179.97 180.34 2k6s h ARG 21 N -1.31 0.87 -0.01 0.04 2.43 -1.11 -0.60 114.38 114.69 2k6s h ARG 21 Ca -0.12 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.03 2k6s h ARG 21 Cb 0.92 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 30.23 2k6s h ARG 21 CO 0.20 0.58 -0.28 -0.22 -1.51 0.00 0.00 179.97 178.74 2k6s h LYS 22 N 0.90 -0.40 0.00 0.20 3.64 -1.16 0.81 116.57 120.56 2k6s h LYS 22 Ca 0.42 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.80 2k6s h LYS 22 Cb 0.40 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2k6s h LYS 22 CO -0.18 -0.27 -0.10 -0.44 -2.27 0.00 0.00 179.45 176.19 2k6s h ASP 23 N -0.42 0.00 0.37 4.20 3.32 -0.41 -3.07 116.42 120.42 2k6s h ASP 23 Ca 0.07 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 2k6s h ASP 23 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2k6s h ASP 23 CO -0.25 0.10 -0.18 0.74 -1.72 0.00 0.00 179.24 177.94 2k6s h THR 24 N 0.00 0.00 -0.84 0.35 2.02 0.59 -3.16 112.91 111.87 2k6s h THR 24 Ca -0.00 -0.28 0.14 0.00 0.77 0.00 0.00 66.41 67.05 2k6s h THR 24 Cb 0.24 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.50 2k6s h THR 24 CO 0.01 0.00 -0.33 0.45 0.37 0.00 0.00 175.52 176.02 2k6s h HIS 25 N -0.77 -0.89 -0.39 3.16 3.86 -1.01 0.71 115.15 119.82 2k6s h HIS 25 Ca -0.05 0.09 0.11 0.00 -1.16 0.00 0.00 60.37 59.36 2k6s h HIS 25 Cb 0.38 0.52 -0.02 0.00 1.06 0.00 0.00 27.41 29.35 2k6s h HIS 25 CO 0.05 -0.39 0.39 -0.84 0.86 0.00 0.00 177.93 177.99 2k6s h ILE 26 N -0.05 0.45 0.11 2.45 3.07 -1.64 0.28 117.51 122.18 2k6s h ILE 26 Ca 0.33 0.00 -0.35 0.00 1.55 0.00 0.00 64.86 66.39 2k6s h ILE 26 Cb 0.59 0.70 -0.02 0.00 -0.27 0.00 0.00 36.82 37.82 2k6s h ILE 26 CO -0.87 0.00 -1.90 -0.09 -1.05 0.00 0.00 178.15 174.24 2k6s h ARG 27 N 0.00 0.23 -0.24 0.16 1.12 0.32 -3.35 114.38 112.63 2k6s h ARG 27 Ca 0.19 -0.40 -0.14 0.00 -1.11 0.00 0.00 59.98 58.52 2k6s h ARG 27 Cb 0.96 0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 31.06 2k6s h ARG 27 CO -0.00 1.10 -0.43 1.05 -3.11 0.00 0.00 179.97 178.57 2k6s h GLU 28 N 0.06 0.58 0.00 0.20 -0.00 0.57 -2.52 114.58 113.48 2k6s h GLU 28 Ca -0.38 -0.31 0.00 0.00 -0.00 0.00 0.00 59.36 58.67 2k6s h GLU 28 Cb 2.04 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 30.80 2k6s h GLU 28 CO 0.10 0.90 0.00 -0.11 -0.00 0.00 0.00 179.01 179.90 2k6s n LEU 29 N -4.02 0.00 0.10 3.06 7.94 0.84 -2.13 117.00 122.80 2k6s n LEU 29 Ca -0.02 0.13 0.01 0.00 -1.11 0.00 0.00 56.01 55.01 2k6s n LEU 29 Cb 0.53 -0.13 -0.02 0.00 0.53 0.00 0.00 43.42 44.34 2k6s n LEU 29 CO 0.46 -0.05 0.24 -0.33 -1.11 0.00 0.00 177.39 176.59 2k6s h GLU 30 N 0.00 0.00 0.00 1.96 4.39 -1.57 -2.80 114.58 116.55 2k6s h GLU 30 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 2k6s h GLU 30 Cb 0.07 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2k6s h GLU 30 CO 0.00 0.51 -0.86 0.22 -1.16 0.00 0.00 179.01 177.72 2k6s h ASP 31 N 0.00 0.00 -0.12 1.42 1.82 -1.56 -1.36 116.42 116.63 2k6s h ASP 31 Ca -0.05 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 56.39 2k6s h ASP 31 Cb 1.48 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.50 2k6s h ASP 31 CO 0.07 0.45 -0.73 1.88 -1.61 0.00 0.00 179.24 179.30 2k6s h TYR 32 N 0.00 0.96 0.00 0.28 0.05 -1.57 -3.20 116.97 113.50 2k6s h TYR 32 Ca -0.06 -0.44 -0.14 0.00 0.05 0.00 0.00 58.73 58.14 2k6s h TYR 32 Cb 1.40 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.98 2k6s h TYR 32 CO 0.00 1.26 -0.71 0.82 -1.05 0.00 0.00 178.16 178.48 2k6s h ILE 33 N 0.39 1.03 -0.84 -2.88 2.04 -1.58 -3.29 117.51 112.37 2k6s h ILE 33 Ca -0.06 -2.48 0.12 0.00 1.00 0.00 0.00 64.86 63.44 2k6s h ILE 33 Cb 1.37 2.49 -0.08 0.00 -0.74 0.00 0.00 36.82 39.85 2k6s h ILE 33 CO 0.15 0.58 0.46 0.44 0.00 0.00 0.00 178.15 179.79 2k6s h ASP 34 N 0.00 0.61 -1.04 1.72 3.32 -1.24 -1.87 116.42 117.92 2k6s h ASP 34 Ca -0.02 0.07 0.42 0.00 0.02 0.00 0.00 57.03 57.52 2k6s h ASP 34 Cb 1.50 -0.04 -0.17 0.00 0.22 0.00 0.00 39.33 40.84 2k6s h ASP 34 CO 0.08 0.31 0.59 -3.20 -1.72 0.00 0.00 179.24 175.29 2k6s n ASN 35 N -4.80 0.32 -0.02 6.45 5.15 -1.22 0.97 115.26 122.12 2k6s n ASN 35 Ca 0.16 1.58 -0.13 0.00 -0.60 0.00 0.00 54.58 55.59 2k6s n ASN 35 Cb 0.36 -0.77 -0.08 0.00 -0.53 0.00 0.00 39.78 38.75 2k6s n ASN 35 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2k6s h LEU 36 N 0.00 0.11 -5.46 1.20 3.38 -1.58 -3.33 115.31 109.64 2k6s h LEU 36 Ca 0.84 -0.39 -0.63 0.00 0.09 0.00 0.00 57.88 57.79 2k6s h LEU 36 Cb 2.30 -0.03 -0.39 0.00 0.09 0.00 0.00 40.66 42.63 2k6s h LEU 36 CO -0.71 0.48 -0.36 0.00 0.09 0.00 0.00 178.44 177.94 2k6s n LEU 37 N -4.82 4.97 0.00 1.67 -0.00 0.27 -5.02 117.00 114.08 2k6s n LEU 37 Ca -0.07 -5.64 -0.09 0.00 -0.00 0.00 0.00 56.01 50.21 2k6s n LEU 37 Cb 0.23 -0.66 0.01 0.00 -0.00 0.00 0.00 43.42 43.00 2k6s n LEU 37 CO 0.35 2.31 0.34 0.55 -0.00 0.00 0.00 177.39 180.93 2k6s n VAL 38 N -0.21 0.00 -2.41 1.47 3.14 0.23 -4.84 118.33 115.71 2k6s n VAL 38 Ca 0.34 -1.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.30 2k6s n VAL 38 Cb 0.37 0.83 -0.03 0.00 -1.06 0.00 0.00 33.84 33.95 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 -2.25 3.31 0.52 1.45 6.06 -1.26 -4.88 118.95 121.91 2k6s s ARG 39 Ca 0.16 0.42 -0.15 0.00 -2.50 0.00 0.00 55.73 53.67 2k6s s ARG 39 Cb -0.03 -4.12 -0.07 0.00 0.06 0.00 0.00 34.95 30.79 2k6s s ARG 39 CO 0.12 -1.93 0.97 0.14 -2.50 0.00 0.00 175.30 172.11 2k6s s VAL 40 N 5.98 4.59 0.00 7.11 -7.23 -1.26 -4.99 120.40 124.60 2k6s s VAL 40 Ca 0.51 1.10 0.00 0.00 -1.81 0.00 0.00 61.98 61.78 2k6s s VAL 40 Cb -0.10 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 33.09 2k6s s VAL 40 CO 0.25 -0.76 0.28 1.15 -0.31 0.00 0.00 175.10 175.71