#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9m s GLY 2 N 0.00 2.95 0.13 3.41 0.00 -1.26 -4.89 107.32 107.66 1k9m s GLY 2 Ca 0.00 1.29 0.26 0.00 0.00 0.00 0.00 44.72 46.28 1k9m s GLY 2 CO 0.00 1.97 1.72 0.00 0.00 0.00 0.00 173.10 176.79 1k9m n ALA 3 N 0.87 2.48 -1.11 3.20 0.00 -1.26 -3.28 120.51 121.41 1k9m n ALA 3 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1k9m n ALA 3 Cb 0.41 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1k9m n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k9m n GLY 4 N 1.37 0.84 0.33 0.00 0.00 -1.26 -4.50 105.19 101.97 1k9m n GLY 4 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 1k9m n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1k9m h THR 5 N 0.00 0.00 -0.75 2.61 2.02 -2.01 0.16 112.91 114.94 1k9m h THR 5 Ca 0.00 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.40 1k9m h THR 5 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 1k9m h THR 5 CO 0.00 0.00 0.59 1.55 0.37 0.00 0.00 175.52 178.03 1k9m h PRO 6 N -0.03 0.00 -0.00 6.66 0.13 -1.91 0.21 132.00 137.06 1k9m h PRO 6 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1k9m h PRO 6 Cb 0.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.46 1k9m h PRO 6 CO -0.70 0.00 -0.07 0.43 -0.23 0.00 0.00 178.00 177.43 1k9m n SER 7 N -4.11 0.27 0.20 1.44 7.64 0.54 -3.44 113.62 116.15 1k9m n SER 7 Ca 0.15 -0.39 0.12 0.00 1.01 0.00 0.00 58.87 59.77 1k9m n SER 7 Cb 0.86 -0.15 0.19 0.00 -1.01 0.00 0.00 64.21 64.10 1k9m n SER 7 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1k9m h GLN 8 N 0.31 0.00 -0.05 1.43 1.08 -0.41 -3.32 115.11 114.15 1k9m h GLN 8 Ca 0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1k9m h GLN 8 Cb 0.33 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1k9m h GLN 8 CO 0.00 0.00 -0.10 0.78 -0.95 0.00 0.00 178.83 178.56 1k9m h GLY 9 N 4.08 0.07 0.87 3.46 0.00 -1.65 -2.85 103.07 107.04 1k9m h GLY 9 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1k9m h GLY 9 CO 0.00 0.04 0.00 0.28 0.00 0.00 0.00 176.54 176.86 1k9m n LYS 10 N -4.38 0.96 -2.75 4.80 5.02 -1.25 -4.66 118.16 115.90 1k9m n LYS 10 Ca -0.02 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.84 1k9m n LYS 10 Cb 0.20 -1.44 -0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1k9m n LYS 10 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1k9m s LYS 11 N -2.00 4.01 -0.09 1.97 1.02 -1.08 -4.57 119.74 119.00 1k9m s LYS 11 Ca 0.40 -2.22 0.18 0.00 0.02 0.00 0.00 55.97 54.35 1k9m s LYS 11 Cb 0.18 -5.31 0.40 0.00 -0.52 0.00 0.00 37.83 32.58 1k9m s LYS 11 CO 0.31 -2.03 1.18 0.27 -0.92 0.00 0.00 175.35 174.16 1k9m n ASN 12 N 7.16 1.30 -4.75 2.83 6.94 -1.26 -5.04 115.26 122.45 1k9m n ASN 12 Ca 0.42 -2.85 -0.35 0.00 -0.02 0.00 0.00 54.58 51.78 1k9m n ASN 12 Cb 0.45 -0.40 -0.08 0.00 -2.36 0.00 0.00 39.78 37.39 1k9m n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1k9m s THR 13 N -1.48 5.28 -0.22 5.53 2.01 -1.26 -5.07 115.64 120.42 1k9m s THR 13 Ca 0.34 0.14 -0.18 0.00 0.31 0.00 0.00 61.69 62.29 1k9m s THR 13 Cb 0.36 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 1k9m s THR 13 CO -0.11 0.50 0.52 -0.89 -0.69 0.00 0.00 174.62 173.95 1k9m s THR 14 N -0.06 5.09 0.00 -0.82 2.01 -1.26 -4.94 115.64 115.67 1k9m s THR 14 Ca 0.09 0.94 0.00 0.00 0.31 0.00 0.00 61.69 63.03 1k9m s THR 14 Cb -0.12 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.55 1k9m s THR 14 CO 0.00 0.15 0.00 0.35 -0.69 0.00 0.00 174.62 174.43 1k9m n THR 15 N 4.72 0.00 -2.39 -0.82 -2.24 -1.26 -4.77 114.28 107.52 1k9m n THR 15 Ca -0.04 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.31 1k9m n THR 15 Cb 0.50 -0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 68.31 1k9m n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1k9m s HIS 16 N 0.00 2.85 0.29 4.78 3.76 -1.26 -0.24 115.29 125.46 1k9m s HIS 16 Ca 0.00 0.97 0.06 0.00 -0.15 0.00 0.00 55.06 55.95 1k9m s HIS 16 Cb 0.00 -3.53 -0.06 0.00 1.11 0.00 0.00 32.58 30.10 1k9m s HIS 16 CO 0.00 -1.84 -0.04 0.95 -0.85 0.00 0.00 174.74 172.96 1k9m s THR 17 N 3.21 1.58 -0.08 1.30 -4.23 0.53 -4.75 115.64 113.21 1k9m s THR 17 Ca 0.57 -2.10 -0.36 0.00 -1.18 0.00 0.00 61.69 58.62 1k9m s THR 17 Cb -0.24 -2.51 -0.14 0.00 1.34 0.00 0.00 72.50 70.96 1k9m s THR 17 CO 0.18 -0.25 1.72 1.17 -0.54 0.00 0.00 174.62 176.90 1k9m n LYS 18 N -0.60 1.76 -2.77 3.99 3.00 -1.26 0.10 118.16 122.37 1k9m n LYS 18 Ca -0.05 0.64 -0.42 0.00 -0.00 0.00 0.00 58.31 58.48 1k9m n LYS 18 Cb 0.64 -2.40 -0.03 0.00 0.00 0.00 0.00 35.03 33.23 1k9m n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1k9m h ARG 20 N 6.93 0.82 0.01 0.00 2.43 -1.90 -1.10 114.38 121.57 1k9m h ARG 20 Ca -0.37 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1k9m h ARG 20 Cb 1.19 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1k9m h ARG 20 CO 0.79 0.55 -0.01 -0.09 -1.51 0.00 0.00 179.97 179.70 1k9m h ARG 21 N 0.85 -0.02 -0.00 0.20 2.43 -1.97 -3.41 114.38 112.46 1k9m h ARG 21 Ca 0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1k9m h ARG 21 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1k9m h ARG 21 CO -0.26 0.75 -0.61 0.00 -1.51 0.00 0.00 179.97 178.34 1k9m n GLY 23 N 1.30 0.91 3.86 0.00 0.00 -0.42 -5.00 105.19 105.83 1k9m n GLY 23 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1k9m n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k9m s GLU 24 N -0.12 3.93 -1.52 1.61 0.41 -1.26 -4.61 118.70 117.14 1k9m s GLU 24 Ca 0.00 0.48 -0.13 0.00 -0.41 0.00 0.00 54.97 54.91 1k9m s GLU 24 Cb 0.00 -2.65 -0.00 0.00 -1.78 0.00 0.00 34.13 29.70 1k9m s GLU 24 CO 0.00 0.30 2.49 1.17 -0.49 0.00 0.00 175.26 178.73 1k9m n LYS 25 N 0.03 3.16 0.00 1.61 4.81 -1.26 0.01 118.16 126.52 1k9m n LYS 25 Ca 0.00 -2.47 0.00 0.00 -0.87 0.00 0.00 58.31 54.97 1k9m n LYS 25 Cb 0.52 -3.12 0.00 0.00 0.02 0.00 0.00 35.03 32.46 1k9m n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1k9m n SER 26 N 5.20 0.56 -4.59 3.14 7.64 -0.92 -4.45 113.62 120.20 1k9m n SER 26 Ca 0.61 -1.18 -0.42 0.00 1.01 0.00 0.00 58.87 58.89 1k9m n SER 26 Cb 0.33 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.51 1k9m n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k9m s TYR 27 N -0.18 2.42 -0.78 1.43 5.04 0.29 -2.33 117.35 123.23 1k9m s TYR 27 Ca 0.00 0.58 -0.26 0.00 -2.44 0.00 0.00 57.07 54.95 1k9m s TYR 27 Cb 0.00 -4.38 -0.00 0.00 0.35 0.00 0.00 41.96 37.93 1k9m s TYR 27 CO 0.00 -1.86 1.65 -1.58 -1.34 0.00 0.00 175.55 172.42 1k9m s HIS 28 N 5.56 2.01 0.66 4.97 5.65 -0.69 0.20 115.29 133.66 1k9m s HIS 28 Ca 0.55 0.24 0.35 0.00 0.25 0.00 0.00 55.06 56.44 1k9m s HIS 28 Cb -0.11 -4.33 1.89 0.00 -1.18 0.00 0.00 32.58 28.85 1k9m s HIS 28 CO 0.29 -2.06 2.07 0.00 -0.65 0.00 0.00 174.74 174.39 1k9m h THR 29 N 6.73 0.02 0.18 0.89 1.03 -0.93 2.18 112.91 123.00 1k9m h THR 29 Ca -0.10 0.00 -0.29 0.00 -0.01 0.00 0.00 66.41 66.01 1k9m h THR 29 Cb 1.07 0.78 0.02 0.00 -1.07 0.00 0.00 68.15 68.95 1k9m h THR 29 CO 1.27 0.00 -1.35 0.11 -0.01 0.00 0.00 175.52 175.54 1k9m h LYS 30 N 0.00 0.38 0.00 0.00 1.79 -1.86 -3.35 116.57 113.53 1k9m h LYS 30 Ca 0.01 -0.65 -0.01 0.00 -2.18 0.00 0.00 60.65 57.82 1k9m h LYS 30 Cb 0.46 0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1k9m h LYS 30 CO -0.00 1.31 -1.12 1.63 -1.08 0.00 0.00 179.45 180.19 1k9m n LYS 31 N -3.85 0.61 -3.56 3.15 5.02 -0.30 -4.97 118.16 114.27 1k9m n LYS 31 Ca -0.20 0.10 -0.21 0.00 -2.02 0.00 0.00 58.31 55.98 1k9m n LYS 31 Cb 0.98 -1.80 0.08 0.00 -0.02 0.00 0.00 35.03 34.26 1k9m n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1k9m n LYS 32 N -2.66 -6.92 -3.76 1.97 4.76 0.72 -4.99 118.16 107.28 1k9m n LYS 32 Ca -0.01 0.80 -0.13 0.00 -2.87 0.00 0.00 58.31 56.10 1k9m n LYS 32 Cb 0.57 -5.79 -0.13 0.00 -1.84 0.00 0.00 35.03 27.84 1k9m n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1k9m s VAL 33 N -3.37 -0.03 -0.15 -0.18 1.01 -1.20 -4.50 120.40 111.97 1k9m s VAL 33 Ca 0.28 0.12 -0.21 0.00 0.00 0.00 0.00 61.98 62.16 1k9m s VAL 33 Cb -0.12 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 1k9m s VAL 33 CO 0.75 0.05 0.64 0.00 0.00 0.00 0.00 175.10 176.54 1k9m n SER 35 N 4.57 0.24 -0.14 0.00 3.41 -0.99 -1.42 113.62 119.30 1k9m n SER 35 Ca -0.02 0.53 -0.29 0.00 -0.26 0.00 0.00 58.87 58.84 1k9m n SER 35 Cb 0.50 -0.59 -0.10 0.00 -0.26 0.00 0.00 64.21 63.76 1k9m n SER 35 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1k9m n SER 36 N -1.74 1.96 -0.01 4.04 2.88 -1.26 -4.75 113.62 114.75 1k9m n SER 36 Ca 0.05 0.34 0.10 0.00 -1.33 0.00 0.00 58.87 58.04 1k9m n SER 36 Cb 0.31 -0.82 -0.15 0.00 -0.75 0.00 0.00 64.21 62.81 1k9m n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k9m n GLY 38 N 1.37 0.88 3.64 0.00 0.00 -0.51 0.43 105.19 111.01 1k9m n GLY 38 Ca -0.01 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.48 1k9m n GLY 38 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1k9m n PHE 39 N -2.00 1.78 0.00 1.61 7.35 -1.26 -0.12 117.46 124.82 1k9m n PHE 39 Ca 0.00 0.54 0.00 0.00 -0.76 0.00 0.00 57.45 57.23 1k9m n PHE 39 Cb 0.00 -2.41 0.00 0.00 0.35 0.00 0.00 39.48 37.42 1k9m n PHE 39 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1k9m n GLY 40 N 3.17 1.70 0.00 7.13 0.00 -1.26 -0.35 105.19 115.57 1k9m n GLY 40 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1k9m n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1k9m n LYS 41 N -1.76 0.07 -4.53 1.61 4.81 0.83 -4.86 118.16 114.33 1k9m n LYS 41 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 1k9m n LYS 41 Cb 0.00 -0.90 -0.16 0.00 0.02 0.00 0.00 35.03 34.00 1k9m n LYS 41 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1k9m s SER 42 N -3.77 1.50 0.11 3.14 0.15 -0.36 -5.00 113.70 109.47 1k9m s SER 42 Ca 0.00 -0.24 -0.14 0.00 0.70 0.00 0.00 55.95 56.27 1k9m s SER 42 Cb 0.00 -0.36 -0.06 0.00 -1.71 0.00 0.00 66.02 63.88 1k9m s SER 42 CO 0.00 0.10 1.46 0.00 1.20 0.00 0.00 173.24 176.01 1k9m h ALA 43 N 6.26 0.48 -2.41 5.45 0.00 -1.96 -3.40 119.26 123.68 1k9m h ALA 43 Ca -0.33 -0.38 -0.47 0.00 0.00 0.00 0.00 54.91 53.73 1k9m h ALA 43 Cb 1.17 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1k9m h ALA 43 CO 0.49 0.46 0.39 0.15 0.00 0.00 0.00 179.25 180.74 1k9m s LYS 44 N -4.50 4.14 0.20 0.00 1.02 -1.26 -5.00 119.74 114.34 1k9m s LYS 44 Ca -0.12 1.41 -0.30 0.00 0.02 0.00 0.00 55.97 56.98 1k9m s LYS 44 Cb 0.09 -2.43 -0.09 0.00 -0.52 0.00 0.00 37.83 34.89 1k9m s LYS 44 CO 0.83 -0.14 1.27 1.03 -0.92 0.00 0.00 175.35 177.42 1k9m s ARG 45 N -2.68 4.42 0.16 1.68 1.81 -1.26 -4.88 118.95 118.20 1k9m s ARG 45 Ca 0.59 2.00 -0.32 0.00 -1.72 0.00 0.00 55.73 56.28 1k9m s ARG 45 Cb -0.19 -3.21 -0.12 0.00 -0.45 0.00 0.00 34.95 30.99 1k9m s ARG 45 CO 0.24 -0.19 1.74 -2.13 -0.68 0.00 0.00 175.30 174.28 1k9m n ARG 46 N 2.51 2.66 -3.60 3.54 0.63 0.17 -4.97 116.66 117.60 1k9m n ARG 46 Ca 0.05 0.96 -0.12 0.00 -0.92 0.00 0.00 57.85 57.82 1k9m n ARG 46 Cb 0.43 -2.81 -0.06 0.00 0.45 0.00 0.00 32.46 30.47 1k9m n ARG 46 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1k9m s ASP 47 N 1.73 -0.54 0.01 6.15 -1.08 -1.26 -4.81 116.67 116.87 1k9m s ASP 47 Ca 0.79 0.84 -0.03 0.00 -0.52 0.00 0.00 52.55 53.63 1k9m s ASP 47 Cb -0.53 0.79 -0.01 0.00 -1.46 0.00 0.00 42.92 41.70 1k9m s ASP 47 CO 0.35 -0.32 0.03 -0.31 0.52 0.00 0.00 175.17 175.45 1k9m s TYR 48 N -0.39 0.18 -0.02 -5.34 1.51 -1.26 -5.04 117.35 106.99 1k9m s TYR 48 Ca -0.02 -0.39 0.31 0.00 -1.01 0.00 0.00 57.07 55.96 1k9m s TYR 48 Cb -0.03 -0.14 1.17 0.00 -0.11 0.00 0.00 41.96 42.85 1k9m s TYR 48 CO 0.01 -0.23 1.91 0.93 -1.11 0.00 0.00 175.55 177.06 1k9m h GLU 49 N 4.48 0.00 -0.00 -0.62 4.39 -2.01 -2.69 114.58 118.13 1k9m h GLU 49 Ca -0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1k9m h GLU 49 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1k9m h GLU 49 CO 0.41 0.00 0.00 -2.67 -1.16 0.00 0.00 179.01 175.59 1k9m n TRP 50 N -3.05 0.00 0.94 4.33 4.27 -1.26 -3.11 117.44 119.57 1k9m n TRP 50 Ca 0.01 -0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.74 1k9m n TRP 50 Cb 0.34 0.00 0.55 0.00 -1.36 0.00 0.00 31.31 30.84 1k9m n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1k9m n GLN 51 N -0.88 0.13 -4.26 -2.67 6.02 -1.01 -4.79 117.38 109.91 1k9m n GLN 51 Ca 0.22 0.08 -0.15 0.00 -0.01 0.00 0.00 57.00 57.13 1k9m n GLN 51 Cb 0.12 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 29.78 1k9m n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1k9m s SER 52 N -2.84 0.83 0.35 1.08 1.04 -1.18 -5.13 113.70 107.85 1k9m s SER 52 Ca 0.16 -1.48 -0.28 0.00 0.48 0.00 0.00 55.95 54.83 1k9m s SER 52 Cb 0.16 0.38 -0.10 0.00 0.10 0.00 0.00 66.02 66.56 1k9m s SER 52 CO 0.41 -0.87 1.24 -0.54 0.98 0.00 0.00 173.24 174.46 1k9m s LYS 53 N -3.96 4.28 0.28 4.02 -0.14 -1.26 -4.93 119.74 118.03 1k9m s LYS 53 Ca 0.38 2.05 -0.00 0.00 -1.36 0.00 0.00 55.97 57.04 1k9m s LYS 53 Cb 0.06 -2.96 0.63 0.00 -1.68 0.00 0.00 37.83 33.88 1k9m s LYS 53 CO 0.16 -0.19 1.43 0.00 -0.76 0.00 0.00 175.35 175.99 1k9m n ALA 54 N 0.61 0.41 -1.34 5.17 0.00 -1.26 -0.55 120.51 123.54 1k9m n ALA 54 Ca 0.01 0.99 -0.33 0.00 0.00 0.00 0.00 53.44 54.10 1k9m n ALA 54 Cb 0.44 -0.69 0.07 0.00 0.00 0.00 0.00 19.45 19.27 1k9m n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k9m n GLY 55 N -1.49 5.65 0.00 0.00 0.00 -1.26 -5.14 105.19 102.95 1k9m n GLY 55 Ca 0.20 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1k9m n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11