#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k73 s GLY 2 N 0.00 2.93 0.00 3.41 0.00 -1.26 -4.88 107.32 107.52 1k73 s GLY 2 Ca 0.00 1.22 0.29 0.00 0.00 0.00 0.00 44.72 46.23 1k73 s GLY 2 CO 0.00 1.81 1.94 0.00 0.00 0.00 0.00 173.10 176.85 1k73 n ALA 3 N 0.25 2.62 -1.52 3.20 0.00 -1.26 -3.30 120.51 120.50 1k73 n ALA 3 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1k73 n ALA 3 Cb 0.43 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1k73 n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k73 n GLY 4 N 1.32 0.66 0.34 0.00 0.00 -1.26 -4.50 105.19 101.74 1k73 n GLY 4 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 1k73 n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1k73 h THR 5 N 0.00 0.15 0.00 2.61 2.02 -2.01 0.18 112.91 115.86 1k73 h THR 5 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1k73 h THR 5 Cb 0.00 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.56 1k73 h THR 5 CO 0.00 0.00 -0.00 1.55 0.37 0.00 0.00 175.52 177.44 1k73 h PRO 6 N -0.08 0.00 -0.01 6.66 0.13 -1.90 0.66 132.00 137.46 1k73 h PRO 6 Ca 0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.44 1k73 h PRO 6 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1k73 h PRO 6 CO -0.79 0.00 -0.07 0.43 -0.23 0.00 0.00 178.00 177.34 1k73 n SER 7 N -3.79 1.08 0.08 1.44 7.64 0.61 -3.68 113.62 117.00 1k73 n SER 7 Ca -0.03 -1.19 0.13 0.00 1.01 0.00 0.00 58.87 58.79 1k73 n SER 7 Cb 0.08 0.02 0.39 0.00 -1.01 0.00 0.00 64.21 63.69 1k73 n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k73 n GLN 8 N -0.29 0.22 0.23 1.43 1.13 0.22 -4.04 117.38 116.27 1k73 n GLN 8 Ca 0.18 0.15 0.09 0.00 -1.94 0.00 0.00 57.00 55.48 1k73 n GLN 8 Cb 0.31 -1.72 0.51 0.00 0.11 0.00 0.00 30.24 29.45 1k73 n GLN 8 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1k73 h GLY 9 N 4.61 0.00 -0.53 1.08 0.00 -1.67 -3.09 103.07 103.47 1k73 h GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1k73 h GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1k73 n LYS 10 N -3.54 1.50 -2.66 4.80 5.02 -1.26 -4.68 118.16 117.35 1k73 n LYS 10 Ca -0.01 -0.76 -0.43 0.00 -2.02 0.00 0.00 58.31 55.09 1k73 n LYS 10 Cb 0.39 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 1k73 n LYS 10 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1k73 n LYS 11 N 0.03 3.35 -1.21 1.97 5.02 -1.17 -4.54 118.16 121.60 1k73 n LYS 11 Ca 0.12 -3.57 0.02 0.00 -2.02 0.00 0.00 58.31 52.86 1k73 n LYS 11 Cb 0.22 -3.13 0.12 0.00 -0.02 0.00 0.00 35.03 32.21 1k73 n LYS 11 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1k73 n ASN 12 N 5.88 1.82 -4.68 4.39 6.94 -1.26 -5.04 115.26 123.31 1k73 n ASN 12 Ca 0.41 -3.13 -0.35 0.00 -0.02 0.00 0.00 54.58 51.49 1k73 n ASN 12 Cb 0.42 -0.43 -0.09 0.00 -2.36 0.00 0.00 39.78 37.32 1k73 n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1k73 s THR 13 N -2.38 4.76 -0.19 5.53 2.01 -1.26 -5.08 115.64 119.03 1k73 s THR 13 Ca 0.37 -0.06 -0.17 0.00 0.31 0.00 0.00 61.69 62.15 1k73 s THR 13 Cb 0.38 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 1k73 s THR 13 CO -0.09 0.53 0.45 -0.89 -0.69 0.00 0.00 174.62 173.93 1k73 s THR 14 N -0.20 5.17 0.00 -0.82 2.01 -1.26 -4.96 115.64 115.58 1k73 s THR 14 Ca 0.07 0.82 0.00 0.00 0.31 0.00 0.00 61.69 62.89 1k73 s THR 14 Cb -0.12 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.61 1k73 s THR 14 CO 0.01 0.23 0.00 0.35 -0.69 0.00 0.00 174.62 174.53 1k73 n THR 15 N 4.33 0.00 -2.45 -0.82 -2.24 -1.26 -4.73 114.28 107.12 1k73 n THR 15 Ca -0.07 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 1k73 n THR 15 Cb 0.51 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1k73 n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1k73 s HIS 16 N -0.32 3.23 0.25 4.78 3.76 -1.26 0.69 115.29 126.42 1k73 s HIS 16 Ca 0.00 1.22 0.03 0.00 -0.15 0.00 0.00 55.06 56.16 1k73 s HIS 16 Cb 0.00 -3.43 -0.05 0.00 1.11 0.00 0.00 32.58 30.21 1k73 s HIS 16 CO 0.00 -1.34 0.02 0.95 -0.85 0.00 0.00 174.74 173.53 1k73 s THR 17 N 1.97 0.99 0.03 1.30 -4.23 0.78 -4.78 115.64 111.68 1k73 s THR 17 Ca 0.57 -2.02 -0.36 0.00 -1.18 0.00 0.00 61.69 58.70 1k73 s THR 17 Cb -0.26 -2.48 -0.15 0.00 1.34 0.00 0.00 72.50 70.96 1k73 s THR 17 CO 0.24 -0.21 1.59 1.17 -0.54 0.00 0.00 174.62 176.87 1k73 n LYS 18 N -0.48 1.73 -2.97 3.99 3.00 -1.26 0.28 118.16 122.45 1k73 n LYS 18 Ca -0.04 0.63 -0.41 0.00 -0.00 0.00 0.00 58.31 58.50 1k73 n LYS 18 Cb 0.65 -2.36 -0.04 0.00 0.00 0.00 0.00 35.03 33.27 1k73 n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1k73 h ARG 20 N 7.03 0.50 0.05 0.00 2.43 -1.90 -1.37 114.38 121.11 1k73 h ARG 20 Ca -0.36 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 58.68 1k73 h ARG 20 Cb 1.17 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1k73 h ARG 20 CO 0.78 0.33 -0.43 -0.09 -1.51 0.00 0.00 179.97 179.05 1k73 h ARG 21 N 0.51 0.21 0.00 0.20 2.43 -1.97 -3.41 114.38 112.36 1k73 h ARG 21 Ca 0.48 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1k73 h ARG 21 Cb 0.76 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1k73 h ARG 21 CO -0.42 1.07 -0.83 0.00 -1.51 0.00 0.00 179.97 178.28 1k73 n GLY 23 N 1.46 1.21 3.85 0.00 0.00 -0.52 -5.00 105.19 106.18 1k73 n GLY 23 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1k73 n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k73 s GLU 24 N -0.27 3.99 -1.50 1.61 0.41 -1.26 -4.52 118.70 117.15 1k73 s GLU 24 Ca 0.00 0.71 -0.11 0.00 -0.41 0.00 0.00 54.97 55.15 1k73 s GLU 24 Cb 0.00 -2.37 0.01 0.00 -1.78 0.00 0.00 34.13 29.99 1k73 s GLU 24 CO 0.00 0.07 2.50 1.17 -0.49 0.00 0.00 175.26 178.51 1k73 n LYS 25 N -0.65 3.39 0.00 1.61 4.81 -1.26 0.55 118.16 126.61 1k73 n LYS 25 Ca 0.04 -2.60 0.00 0.00 -0.87 0.00 0.00 58.31 54.88 1k73 n LYS 25 Cb 0.53 -3.02 0.00 0.00 0.02 0.00 0.00 35.03 32.57 1k73 n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1k73 n SER 26 N 4.58 0.55 -4.61 3.14 7.64 -0.87 -4.38 113.62 119.67 1k73 n SER 26 Ca 0.62 -1.22 -0.43 0.00 1.01 0.00 0.00 58.87 58.85 1k73 n SER 26 Cb 0.31 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.49 1k73 n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k73 s TYR 27 N -0.22 2.86 -0.59 1.43 5.04 0.14 -1.75 117.35 124.26 1k73 s TYR 27 Ca 0.00 0.78 -0.28 0.00 -2.44 0.00 0.00 57.07 55.13 1k73 s TYR 27 Cb 0.00 -4.34 0.01 0.00 0.35 0.00 0.00 41.96 37.98 1k73 s TYR 27 CO 0.00 -1.20 1.46 -1.58 -1.34 0.00 0.00 175.55 172.89 1k73 s HIS 28 N 4.35 2.18 -0.65 4.97 5.65 -0.55 0.27 115.29 131.52 1k73 s HIS 28 Ca 0.48 0.43 0.17 0.00 0.25 0.00 0.00 55.06 56.39 1k73 s HIS 28 Cb -0.08 -4.38 0.78 0.00 -1.18 0.00 0.00 32.58 27.72 1k73 s HIS 28 CO 0.30 -2.06 1.54 -2.37 -0.65 0.00 0.00 174.74 171.49 1k73 n THR 29 N 6.84 1.07 0.04 0.89 5.66 0.22 0.18 114.28 129.18 1k73 n THR 29 Ca 0.12 0.36 -0.19 0.00 -3.05 0.00 0.00 64.05 61.30 1k73 n THR 29 Cb 0.49 -1.27 -0.14 0.00 -1.55 0.00 0.00 70.33 67.86 1k73 n THR 29 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1k73 h LYS 30 N 0.00 0.27 0.00 1.09 1.79 -1.85 -3.37 116.57 114.50 1k73 h LYS 30 Ca 0.00 -0.47 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1k73 h LYS 30 Cb 0.22 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1k73 h LYS 30 CO 0.00 1.14 -1.24 1.63 -1.08 0.00 0.00 179.45 179.90 1k73 n LYS 31 N -3.46 0.53 -3.62 3.15 5.02 -0.75 -4.99 118.16 114.03 1k73 n LYS 31 Ca -0.23 0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 55.85 1k73 n LYS 31 Cb 1.06 -1.69 0.07 0.00 -0.02 0.00 0.00 35.03 34.45 1k73 n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1k73 n LYS 32 N -2.37 -6.76 -3.75 1.97 4.76 0.46 -4.99 118.16 107.49 1k73 n LYS 32 Ca -0.00 0.77 -0.13 0.00 -2.87 0.00 0.00 58.31 56.08 1k73 n LYS 32 Cb 0.52 -5.72 -0.13 0.00 -1.84 0.00 0.00 35.03 27.87 1k73 n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1k73 s VAL 33 N -3.38 -0.03 -0.15 -0.18 1.01 -1.21 -4.50 120.40 111.97 1k73 s VAL 33 Ca 0.35 0.11 -0.22 0.00 0.00 0.00 0.00 61.98 62.22 1k73 s VAL 33 Cb -0.16 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 1k73 s VAL 33 CO 0.76 0.04 0.66 0.00 0.00 0.00 0.00 175.10 176.56 1k73 h SER 35 N 7.17 0.00 0.00 0.00 4.64 -1.69 -1.67 113.55 122.00 1k73 h SER 35 Ca -0.35 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.60 1k73 h SER 35 Cb 1.16 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.20 1k73 h SER 35 CO 0.77 0.00 -2.00 -0.24 -0.87 0.00 0.00 176.83 174.50 1k73 n SER 36 N -2.31 1.92 -0.01 4.97 2.88 -1.26 -4.71 113.62 115.10 1k73 n SER 36 Ca 0.04 0.36 0.06 0.00 -1.33 0.00 0.00 58.87 58.01 1k73 n SER 36 Cb 0.36 -0.87 -0.07 0.00 -0.75 0.00 0.00 64.21 62.88 1k73 n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k73 n GLY 38 N 1.29 1.00 3.62 0.00 0.00 -0.63 -0.74 105.19 109.74 1k73 n GLY 38 Ca 0.03 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.53 1k73 n GLY 38 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1k73 n PHE 39 N -2.00 1.75 0.00 1.61 7.35 -1.26 -0.50 117.46 124.41 1k73 n PHE 39 Ca 0.00 0.53 0.00 0.00 -0.76 0.00 0.00 57.45 57.22 1k73 n PHE 39 Cb 0.00 -2.40 0.00 0.00 0.35 0.00 0.00 39.48 37.43 1k73 n PHE 39 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1k73 n GLY 40 N 2.93 3.01 0.64 7.13 0.00 -1.26 -0.95 105.19 116.68 1k73 n GLY 40 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 1k73 n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1k73 n LYS 41 N -1.89 0.06 -4.64 1.61 4.81 0.35 -4.86 118.16 113.59 1k73 n LYS 41 Ca 0.00 0.02 -0.23 0.00 -0.87 0.00 0.00 58.31 57.23 1k73 n LYS 41 Cb 0.00 -0.73 -0.15 0.00 0.02 0.00 0.00 35.03 34.17 1k73 n LYS 41 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1k73 s SER 42 N -4.92 1.90 0.11 3.14 0.15 0.10 -4.99 113.70 109.18 1k73 s SER 42 Ca -0.03 -0.36 -0.11 0.00 0.70 0.00 0.00 55.95 56.15 1k73 s SER 42 Cb 0.01 -0.18 -0.14 0.00 -1.71 0.00 0.00 66.02 63.99 1k73 s SER 42 CO 0.05 0.15 1.29 0.00 1.20 0.00 0.00 173.24 175.93 1k73 h ALA 43 N 5.45 0.30 -2.37 5.45 0.00 -1.97 -3.39 119.26 122.73 1k73 h ALA 43 Ca -0.37 -0.64 -0.49 0.00 0.00 0.00 0.00 54.91 53.42 1k73 h ALA 43 Cb 1.16 -0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.00 1k73 h ALA 43 CO 0.47 0.71 0.39 0.15 0.00 0.00 0.00 179.25 180.96 1k73 s LYS 44 N -3.58 3.48 0.25 0.00 1.02 -1.26 -5.00 119.74 114.66 1k73 s LYS 44 Ca -0.09 1.32 -0.30 0.00 0.02 0.00 0.00 55.97 56.92 1k73 s LYS 44 Cb 0.08 -2.05 -0.09 0.00 -0.52 0.00 0.00 37.83 35.25 1k73 s LYS 44 CO 0.90 -0.69 1.11 1.03 -0.92 0.00 0.00 175.35 176.78 1k73 s ARG 45 N -3.66 4.62 0.14 1.68 1.81 -1.26 -4.86 118.95 117.43 1k73 s ARG 45 Ca 0.66 1.80 -0.31 0.00 -1.72 0.00 0.00 55.73 56.15 1k73 s ARG 45 Cb -0.17 -3.21 -0.09 0.00 -0.45 0.00 0.00 34.95 31.03 1k73 s ARG 45 CO 0.29 0.16 1.52 0.50 -0.68 0.00 0.00 175.30 177.09 1k73 s ARG 46 N -1.16 4.25 -0.25 3.54 3.52 0.08 -4.98 118.95 123.95 1k73 s ARG 46 Ca 0.46 2.27 -0.26 0.00 -0.13 0.00 0.00 55.73 58.07 1k73 s ARG 46 Cb -0.32 -3.21 0.12 0.00 -1.56 0.00 0.00 34.95 29.99 1k73 s ARG 46 CO 0.40 -0.56 1.00 0.34 -0.81 0.00 0.00 175.30 175.66 1k73 s ASP 47 N 1.20 -0.46 0.04 -2.12 -1.08 -1.26 -4.84 116.67 108.15 1k73 s ASP 47 Ca 0.68 0.80 0.01 0.00 -0.52 0.00 0.00 52.55 53.52 1k73 s ASP 47 Cb -0.41 0.78 -0.03 0.00 -1.46 0.00 0.00 42.92 41.80 1k73 s ASP 47 CO 0.31 -0.21 -0.05 -0.31 0.52 0.00 0.00 175.17 175.42 1k73 s TYR 48 N -0.10 0.51 0.21 -5.34 1.51 -1.26 -5.04 117.35 107.85 1k73 s TYR 48 Ca 0.01 -0.64 0.27 0.00 -1.01 0.00 0.00 57.07 55.71 1k73 s TYR 48 Cb -0.04 -0.33 1.16 0.00 -0.11 0.00 0.00 41.96 42.64 1k73 s TYR 48 CO -0.04 -0.17 1.93 0.93 -1.11 0.00 0.00 175.55 177.09 1k73 h GLU 49 N 4.20 0.00 0.00 -0.62 4.39 -2.01 -2.84 114.58 117.70 1k73 h GLU 49 Ca -0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1k73 h GLU 49 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1k73 h GLU 49 CO 0.47 0.16 0.00 -2.67 -1.16 0.00 0.00 179.01 175.81 1k73 n TRP 50 N -3.39 0.00 1.28 4.33 4.27 -1.26 -2.73 117.44 119.94 1k73 n TRP 50 Ca -0.00 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.74 1k73 n TRP 50 Cb 0.35 0.00 0.69 0.00 -1.36 0.00 0.00 31.31 30.99 1k73 n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1k73 n GLN 51 N -0.94 0.35 -4.11 -2.67 6.02 -1.07 -4.75 117.38 110.21 1k73 n GLN 51 Ca 0.18 0.02 -0.09 0.00 -0.01 0.00 0.00 57.00 57.10 1k73 n GLN 51 Cb 0.08 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 29.75 1k73 n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1k73 s SER 52 N -2.62 0.28 0.56 1.08 1.04 -1.10 -5.12 113.70 107.82 1k73 s SER 52 Ca 0.25 -1.14 -0.21 0.00 0.48 0.00 0.00 55.95 55.33 1k73 s SER 52 Cb 0.19 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 1k73 s SER 52 CO 0.43 -0.74 1.34 -0.54 0.98 0.00 0.00 173.24 174.71 1k73 s LYS 53 N -4.02 3.05 0.28 4.02 -0.14 -1.26 -4.88 119.74 116.78 1k73 s LYS 53 Ca 0.22 2.19 0.01 0.00 -1.36 0.00 0.00 55.97 57.03 1k73 s LYS 53 Cb 0.07 -2.18 0.66 0.00 -1.68 0.00 0.00 37.83 34.70 1k73 s LYS 53 CO 0.00 -1.25 1.68 0.00 -0.76 0.00 0.00 175.35 175.03 1k73 h ALA 54 N 1.30 1.29 -0.84 5.17 0.00 -1.96 -1.44 119.26 122.79 1k73 h ALA 54 Ca -0.51 0.18 -0.52 0.00 0.00 0.00 0.00 54.91 54.06 1k73 h ALA 54 Cb 1.31 0.21 -0.25 0.00 0.00 0.00 0.00 17.79 19.05 1k73 h ALA 54 CO 0.57 -0.37 0.67 0.41 0.00 0.00 0.00 179.25 180.53 1k73 n GLY 55 N -1.35 4.91 0.00 0.00 0.00 -1.26 -5.14 105.19 102.35 1k73 n GLY 55 Ca 0.20 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1k73 n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11