#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q81 s GLY 2 N 0.00 2.99 0.24 3.41 0.00 -1.26 -4.87 107.32 107.83 1q81 s GLY 2 Ca 0.00 1.29 0.26 0.00 0.00 0.00 0.00 44.72 46.26 1q81 s GLY 2 CO 0.00 1.93 1.73 0.00 0.00 0.00 0.00 173.10 176.76 1q81 h ALA 3 N 3.26 0.98 -3.00 3.20 0.00 -1.99 -3.19 119.26 118.53 1q81 h ALA 3 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1q81 h ALA 3 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1q81 h ALA 3 CO 0.65 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.31 1q81 n GLY 4 N 1.28 -0.32 0.25 0.00 0.00 -1.26 -4.48 105.19 100.65 1q81 n GLY 4 Ca 0.05 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.95 1q81 n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1q81 h THR 5 N 0.00 0.41 0.00 2.61 2.02 -2.01 -2.61 112.91 113.33 1q81 h THR 5 Ca 0.00 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 1q81 h THR 5 Cb 0.00 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1q81 h THR 5 CO 0.00 0.01 -0.19 1.55 0.37 0.00 0.00 175.52 177.26 1q81 h PRO 6 N 0.08 0.00 -0.00 6.66 0.13 -1.89 -1.86 132.00 135.12 1q81 h PRO 6 Ca 0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.47 1q81 h PRO 6 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1q81 h PRO 6 CO -0.60 0.19 -0.11 0.43 -0.23 0.00 0.00 178.00 177.68 1q81 n SER 7 N -4.02 0.34 0.20 1.44 7.64 -0.99 -3.38 113.62 114.84 1q81 n SER 7 Ca -0.02 -0.33 0.12 0.00 1.01 0.00 0.00 58.87 59.65 1q81 n SER 7 Cb 0.27 -0.13 0.14 0.00 -1.01 0.00 0.00 64.21 63.48 1q81 n SER 7 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1q81 h GLN 8 N 0.35 0.00 -0.46 1.43 1.08 -1.27 -3.34 115.11 112.90 1q81 h GLN 8 Ca 0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 1q81 h GLN 8 Cb 0.38 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 1q81 h GLN 8 CO 0.00 0.00 0.04 0.78 -0.95 0.00 0.00 178.83 178.70 1q81 h GLY 9 N 4.00 0.79 0.15 3.46 0.00 -1.64 -3.01 103.07 106.81 1q81 h GLY 9 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1q81 h GLY 9 CO 0.00 0.46 0.00 0.28 0.00 0.00 0.00 176.54 177.28 1q81 n LYS 10 N -4.25 0.78 -2.95 4.80 5.02 -1.25 -4.61 118.16 115.69 1q81 n LYS 10 Ca 0.03 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.88 1q81 n LYS 10 Cb 0.27 -1.07 -0.00 0.00 -0.02 0.00 0.00 35.03 34.20 1q81 n LYS 10 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1q81 s LYS 11 N -2.00 4.09 -0.09 1.97 1.02 -1.14 -4.59 119.74 119.01 1q81 s LYS 11 Ca 0.05 -2.59 0.14 0.00 0.02 0.00 0.00 55.97 53.59 1q81 s LYS 11 Cb 0.03 -5.06 0.27 0.00 -0.52 0.00 0.00 37.83 32.55 1q81 s LYS 11 CO 0.04 -1.76 1.13 0.27 -0.92 0.00 0.00 175.35 174.11 1q81 n ASN 12 N 5.62 1.29 -4.90 2.83 6.94 -1.26 -5.06 115.26 120.72 1q81 n ASN 12 Ca 0.36 -2.76 -0.30 0.00 -0.02 0.00 0.00 54.58 51.86 1q81 n ASN 12 Cb 0.43 -0.36 -0.04 0.00 -2.36 0.00 0.00 39.78 37.44 1q81 n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1q81 s THR 13 N -1.59 5.12 -0.14 5.53 2.01 -1.26 -5.08 115.64 120.23 1q81 s THR 13 Ca 0.25 -0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.23 1q81 s THR 13 Cb 0.25 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.07 1q81 s THR 13 CO -0.04 -0.09 -0.09 -0.89 -0.69 0.00 0.00 174.62 172.81 1q81 s THR 14 N -1.81 3.40 0.00 -0.82 2.01 -1.26 -4.99 115.64 112.17 1q81 s THR 14 Ca 0.42 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 61.88 1q81 s THR 14 Cb -0.11 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 69.95 1q81 s THR 14 CO 0.26 0.52 0.00 0.35 -0.69 0.00 0.00 174.62 175.06 1q81 n THR 15 N 3.46 0.00 -2.32 -0.82 -2.24 -1.26 -4.76 114.28 106.34 1q81 n THR 15 Ca -0.18 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 1q81 n THR 15 Cb 0.53 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 1q81 n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1q81 s HIS 16 N 0.00 3.22 0.20 4.78 3.76 -1.26 0.79 115.29 126.79 1q81 s HIS 16 Ca 0.00 1.10 0.02 0.00 -0.15 0.00 0.00 55.06 56.03 1q81 s HIS 16 Cb 0.00 -3.54 -0.05 0.00 1.11 0.00 0.00 32.58 30.11 1q81 s HIS 16 CO 0.00 -1.81 0.01 0.95 -0.85 0.00 0.00 174.74 173.04 1q81 s THR 17 N 1.54 0.81 -0.05 1.30 -4.23 0.20 -4.81 115.64 110.39 1q81 s THR 17 Ca 0.61 -2.00 -0.36 0.00 -1.18 0.00 0.00 61.69 58.76 1q81 s THR 17 Cb -0.31 -2.24 -0.14 0.00 1.34 0.00 0.00 72.50 71.16 1q81 s THR 17 CO 0.28 -0.39 1.72 1.17 -0.54 0.00 0.00 174.62 176.86 1q81 n LYS 18 N -0.32 1.85 -2.76 3.99 3.00 -1.26 -0.42 118.16 122.24 1q81 n LYS 18 Ca -0.05 0.68 -0.42 0.00 -0.00 0.00 0.00 58.31 58.51 1q81 n LYS 18 Cb 0.64 -2.45 -0.03 0.00 0.00 0.00 0.00 35.03 33.19 1q81 n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1q81 h ARG 20 N 7.22 0.60 0.00 0.00 2.43 -1.90 -0.02 114.38 122.71 1q81 h ARG 20 Ca -0.29 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1q81 h ARG 20 Cb 1.13 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1q81 h ARG 20 CO 0.86 0.40 -0.22 -0.09 -1.51 0.00 0.00 179.97 179.41 1q81 h ARG 21 N 0.62 0.00 0.00 0.20 2.43 -1.97 -3.42 114.38 112.24 1q81 h ARG 21 Ca 0.44 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.49 1q81 h ARG 21 Cb 0.79 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 1q81 h ARG 21 CO -0.19 0.00 -1.26 0.00 -1.51 0.00 0.00 179.97 177.00 1q81 n GLY 23 N 1.33 0.79 3.86 0.00 0.00 -0.02 -5.00 105.19 106.15 1q81 n GLY 23 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1q81 n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q81 s GLU 24 N -0.39 3.88 -1.48 1.61 0.41 -1.26 -4.58 118.70 116.88 1q81 s GLU 24 Ca 0.00 0.46 -0.11 0.00 -0.41 0.00 0.00 54.97 54.91 1q81 s GLU 24 Cb 0.00 -2.51 0.02 0.00 -1.78 0.00 0.00 34.13 29.85 1q81 s GLU 24 CO 0.00 0.19 2.47 1.17 -0.49 0.00 0.00 175.26 178.61 1q81 n LYS 25 N -0.44 3.48 0.00 1.61 4.81 -1.26 -0.80 118.16 125.56 1q81 n LYS 25 Ca 0.02 -2.68 0.00 0.00 -0.87 0.00 0.00 58.31 54.78 1q81 n LYS 25 Cb 0.53 -2.98 0.00 0.00 0.02 0.00 0.00 35.03 32.60 1q81 n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1q81 n SER 26 N 4.35 0.89 -4.55 3.14 7.64 -1.04 -4.36 113.62 119.69 1q81 n SER 26 Ca 0.62 -1.42 -0.41 0.00 1.01 0.00 0.00 58.87 58.66 1q81 n SER 26 Cb 0.31 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.48 1q81 n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1q81 s TYR 27 N -0.42 2.39 -0.40 1.43 5.04 0.44 -1.83 117.35 124.00 1q81 s TYR 27 Ca 0.00 0.05 -0.28 0.00 -2.44 0.00 0.00 57.07 54.40 1q81 s TYR 27 Cb 0.00 -4.58 -0.03 0.00 0.35 0.00 0.00 41.96 37.71 1q81 s TYR 27 CO 0.00 -1.93 1.89 -1.58 -1.34 0.00 0.00 175.55 172.59 1q81 s HIS 28 N 5.44 1.67 -1.06 4.97 5.65 -0.63 0.59 115.29 131.92 1q81 s HIS 28 Ca 0.36 0.73 0.11 0.00 0.25 0.00 0.00 55.06 56.51 1q81 s HIS 28 Cb -0.08 -4.06 0.47 0.00 -1.18 0.00 0.00 32.58 27.73 1q81 s HIS 28 CO 0.17 -2.84 1.33 -2.37 -0.65 0.00 0.00 174.74 170.38 1q81 n THR 29 N 7.44 1.19 -0.06 0.89 5.66 0.24 0.20 114.28 129.84 1q81 n THR 29 Ca 0.24 0.30 -0.16 0.00 -3.05 0.00 0.00 64.05 61.37 1q81 n THR 29 Cb 0.49 -1.11 -0.14 0.00 -1.55 0.00 0.00 70.33 68.02 1q81 n THR 29 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1q81 n LYS 30 N -1.47 0.69 0.06 1.09 4.76 -1.26 -4.23 118.16 117.80 1q81 n LYS 30 Ca 0.03 0.19 0.11 0.00 -2.87 0.00 0.00 58.31 55.77 1q81 n LYS 30 Cb 0.12 -1.63 -0.02 0.00 -1.84 0.00 0.00 35.03 31.66 1q81 n LYS 30 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1q81 n LYS 31 N -3.22 0.51 -3.64 1.97 5.02 -0.96 -4.96 118.16 112.88 1q81 n LYS 31 Ca -0.34 0.02 -0.24 0.00 -2.02 0.00 0.00 58.31 55.73 1q81 n LYS 31 Cb 1.05 -1.69 0.07 0.00 -0.02 0.00 0.00 35.03 34.43 1q81 n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1q81 n LYS 32 N -2.36 -6.97 -3.82 1.97 4.76 0.54 -4.98 118.16 107.30 1q81 n LYS 32 Ca -0.00 0.77 -0.13 0.00 -2.87 0.00 0.00 58.31 56.08 1q81 n LYS 32 Cb 0.51 -5.74 -0.14 0.00 -1.84 0.00 0.00 35.03 27.82 1q81 n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1q81 s VAL 33 N -3.35 -0.01 -0.15 -0.18 1.01 -1.13 -4.52 120.40 112.06 1q81 s VAL 33 Ca 0.44 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.29 1q81 s VAL 33 Cb -0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1q81 s VAL 33 CO 0.76 0.02 0.44 0.00 0.00 0.00 0.00 175.10 176.31 1q81 n SER 35 N 3.92 0.00 -0.09 0.00 3.41 -0.76 -1.88 113.62 118.22 1q81 n SER 35 Ca -0.08 -0.28 -0.16 0.00 -0.26 0.00 0.00 58.87 58.10 1q81 n SER 35 Cb 0.51 -0.23 -0.07 0.00 -0.26 0.00 0.00 64.21 64.17 1q81 n SER 35 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1q81 n SER 36 N -1.23 1.87 -0.00 4.04 2.88 -1.26 -4.78 113.62 115.15 1q81 n SER 36 Ca 0.15 0.09 0.04 0.00 -1.33 0.00 0.00 58.87 57.82 1q81 n SER 36 Cb 0.20 -0.41 -0.05 0.00 -0.75 0.00 0.00 64.21 63.20 1q81 n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q81 n GLY 38 N 1.24 0.42 3.71 0.00 0.00 -0.79 0.20 105.19 109.97 1q81 n GLY 38 Ca 0.02 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 1q81 n GLY 38 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1q81 s PHE 39 N -2.02 3.02 0.00 1.61 5.36 -1.26 -0.85 117.98 123.84 1q81 s PHE 39 Ca 0.00 0.72 0.00 0.00 -0.96 0.00 0.00 56.93 56.69 1q81 s PHE 39 Cb 0.00 -3.81 0.00 0.00 -0.34 0.00 0.00 43.02 38.87 1q81 s PHE 39 CO 0.00 -2.99 0.00 0.41 -1.46 0.00 0.00 175.22 171.18 1q81 n GLY 40 N 3.68 0.45 1.62 13.12 0.00 -1.26 -0.83 105.19 121.97 1q81 n GLY 40 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1q81 n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1q81 n LYS 41 N -1.96 0.00 -5.27 1.61 4.81 -0.61 -4.79 118.16 111.94 1q81 n LYS 41 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.13 1q81 n LYS 41 Cb 0.00 -0.19 -0.16 0.00 0.02 0.00 0.00 35.03 34.69 1q81 n LYS 41 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1q81 s SER 42 N -5.17 3.04 0.13 3.14 0.15 -0.03 -5.00 113.70 109.95 1q81 s SER 42 Ca 0.00 -0.49 -0.13 0.00 0.70 0.00 0.00 55.95 56.02 1q81 s SER 42 Cb 0.00 -0.68 -0.01 0.00 -1.71 0.00 0.00 66.02 63.61 1q81 s SER 42 CO 0.00 0.27 1.55 0.00 1.20 0.00 0.00 173.24 176.26 1q81 h ALA 43 N 5.89 0.58 -2.35 5.45 0.00 -1.96 -3.41 119.26 123.46 1q81 h ALA 43 Ca -0.35 -0.31 -0.51 0.00 0.00 0.00 0.00 54.91 53.75 1q81 h ALA 43 Cb 1.16 -0.15 0.10 0.00 0.00 0.00 0.00 17.79 18.89 1q81 h ALA 43 CO 0.47 0.43 0.36 0.15 0.00 0.00 0.00 179.25 180.66 1q81 s LYS 44 N -4.86 2.86 0.21 0.00 1.02 -1.26 -5.00 119.74 112.71 1q81 s LYS 44 Ca -0.12 1.12 -0.30 0.00 0.02 0.00 0.00 55.97 56.69 1q81 s LYS 44 Cb 0.11 -1.97 -0.08 0.00 -0.52 0.00 0.00 37.83 35.36 1q81 s LYS 44 CO 0.82 -1.17 0.93 1.03 -0.92 0.00 0.00 175.35 176.04 1q81 s ARG 45 N -4.64 4.80 0.18 1.68 1.81 -1.26 -4.86 118.95 116.66 1q81 s ARG 45 Ca 0.61 1.45 -0.32 0.00 -1.72 0.00 0.00 55.73 55.76 1q81 s ARG 45 Cb -0.16 -3.30 -0.11 0.00 -0.45 0.00 0.00 34.95 30.93 1q81 s ARG 45 CO 0.49 0.46 1.72 0.50 -0.68 0.00 0.00 175.30 177.79 1q81 s ARG 46 N -0.94 4.14 -0.28 3.54 3.52 0.13 -4.97 118.95 124.09 1q81 s ARG 46 Ca 0.42 2.57 -0.23 0.00 -0.13 0.00 0.00 55.73 58.35 1q81 s ARG 46 Cb -0.25 -3.20 0.09 0.00 -1.56 0.00 0.00 34.95 30.03 1q81 s ARG 46 CO 0.31 -0.75 0.81 0.34 -0.81 0.00 0.00 175.30 175.20 1q81 s ASP 47 N 1.50 -0.70 0.02 -2.12 3.68 -1.26 -4.76 116.67 113.02 1q81 s ASP 47 Ca 0.75 1.28 0.01 0.00 2.13 0.00 0.00 52.55 56.73 1q81 s ASP 47 Cb -0.48 1.30 -0.01 0.00 -1.45 0.00 0.00 42.92 42.28 1q81 s ASP 47 CO 0.33 -0.22 -0.05 -0.31 0.13 0.00 0.00 175.17 175.05 1q81 s TYR 48 N 0.62 0.45 -1.18 -5.34 1.51 -1.26 -5.03 117.35 107.11 1q81 s TYR 48 Ca -0.02 -0.28 0.11 0.00 -1.01 0.00 0.00 57.07 55.87 1q81 s TYR 48 Cb -0.05 -0.28 0.50 0.00 -0.11 0.00 0.00 41.96 42.02 1q81 s TYR 48 CO -0.05 -0.06 1.31 0.39 -1.11 0.00 0.00 175.55 176.03 1q81 n GLU 49 N 2.26 0.07 -0.08 -0.62 -0.58 -1.26 -1.92 120.64 118.51 1q81 n GLU 49 Ca -0.18 0.26 0.12 0.00 -0.42 0.00 0.00 57.16 56.94 1q81 n GLU 49 Cb 0.57 -1.50 0.25 0.00 -0.57 0.00 0.00 31.44 30.19 1q81 n GLU 49 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1q81 n TRP 50 N -1.41 0.21 1.39 -0.32 4.27 -1.26 -3.87 117.44 116.45 1q81 n TRP 50 Ca 0.04 -0.10 0.14 0.00 -3.89 0.00 0.00 57.50 53.68 1q81 n TRP 50 Cb 0.11 0.00 0.73 0.00 -1.36 0.00 0.00 31.31 30.79 1q81 n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1q81 n GLN 51 N 1.06 0.47 -4.14 -2.67 6.02 -0.81 -4.77 117.38 112.53 1q81 n GLN 51 Ca 0.17 0.02 -0.11 0.00 -0.01 0.00 0.00 57.00 57.07 1q81 n GLN 51 Cb 0.52 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.19 1q81 n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1q81 s SER 52 N -2.49 0.13 0.50 1.08 1.04 -1.25 -5.12 113.70 107.58 1q81 s SER 52 Ca 0.29 -1.24 -0.22 0.00 0.48 0.00 0.00 55.95 55.26 1q81 s SER 52 Cb 0.19 0.40 -0.06 0.00 0.10 0.00 0.00 66.02 66.65 1q81 s SER 52 CO 0.41 -0.87 1.19 -0.54 0.98 0.00 0.00 173.24 174.41 1q81 s LYS 53 N -4.10 3.50 0.17 4.02 -0.14 -1.26 -4.92 119.74 117.01 1q81 s LYS 53 Ca 0.32 1.82 -0.19 0.00 -1.36 0.00 0.00 55.97 56.56 1q81 s LYS 53 Cb 0.06 -2.26 0.10 0.00 -1.68 0.00 0.00 37.83 34.05 1q81 s LYS 53 CO 0.09 -0.77 1.29 0.00 -0.76 0.00 0.00 175.35 175.19 1q81 n ALA 54 N -0.84 -0.26 -1.56 5.17 0.00 -1.26 -1.13 120.51 120.63 1q81 n ALA 54 Ca 0.09 0.78 -0.34 0.00 0.00 0.00 0.00 53.44 53.98 1q81 n ALA 54 Cb 0.48 -0.28 0.03 0.00 0.00 0.00 0.00 19.45 19.69 1q81 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q81 n GLY 55 N -1.32 5.24 0.00 0.00 0.00 -1.26 -5.12 105.19 102.72 1q81 n GLY 55 Ca 0.06 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1q81 n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11