#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i55 s GLY 2 N 0.00 2.59 0.00 3.41 0.00 -1.26 -4.91 107.32 107.15 3i55 s GLY 2 Ca 0.00 0.45 0.30 0.00 0.00 0.00 0.00 44.72 45.47 3i55 s GLY 2 CO 0.00 0.81 2.08 0.00 0.00 0.00 0.00 173.10 175.99 3i55 n ALA 3 N -0.05 2.55 -1.00 3.20 0.00 -1.26 -3.04 120.51 120.90 3i55 n ALA 3 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3i55 n ALA 3 Cb 0.52 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3i55 n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i55 n GLY 4 N 1.01 0.69 0.38 0.00 0.00 -1.26 -4.51 105.19 101.50 3i55 n GLY 4 Ca 0.19 -0.68 -0.07 0.00 0.00 0.00 0.00 46.02 45.46 3i55 n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i55 h THR 5 N 0.00 0.10 -0.95 2.61 2.02 -2.00 -1.52 112.91 113.17 3i55 h THR 5 Ca 0.00 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.38 3i55 h THR 5 Cb 0.00 0.10 -0.18 0.00 -1.74 0.00 0.00 68.15 66.33 3i55 h THR 5 CO 0.00 0.00 -0.20 1.55 0.37 0.00 0.00 175.52 177.24 3i55 h PRO 6 N -0.18 0.00 0.00 6.66 0.13 -1.89 1.05 132.00 137.77 3i55 h PRO 6 Ca 0.21 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 3i55 h PRO 6 Cb 0.56 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 3i55 h PRO 6 CO -0.72 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 177.49 3i55 n SER 7 N -5.58 0.00 0.20 1.44 7.64 -0.58 -3.15 113.62 113.59 3i55 n SER 7 Ca 0.16 -0.32 0.10 0.00 1.01 0.00 0.00 58.87 59.82 3i55 n SER 7 Cb 0.52 -0.19 0.18 0.00 -1.01 0.00 0.00 64.21 63.71 3i55 n SER 7 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3i55 h GLN 8 N 0.00 0.00 -0.01 1.43 1.08 0.13 -3.28 115.11 114.46 3i55 h GLN 8 Ca 0.00 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.08 3i55 h GLN 8 Cb 0.15 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 3i55 h GLN 8 CO 0.00 0.14 -0.58 0.78 -0.95 0.00 0.00 178.83 178.21 3i55 h GLY 9 N 3.65 0.03 1.95 3.46 0.00 -1.57 -2.97 103.07 107.63 3i55 h GLY 9 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3i55 h GLY 9 CO 0.02 0.03 0.00 0.28 0.00 0.00 0.00 176.54 176.87 3i55 n LYS 10 N -3.85 0.03 -1.61 4.80 5.02 -1.24 -4.46 118.16 116.85 3i55 n LYS 10 Ca -0.01 0.24 -0.41 0.00 -2.02 0.00 0.00 58.31 56.10 3i55 n LYS 10 Cb 0.59 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.09 3i55 n LYS 10 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i55 n LYS 11 N -1.47 2.88 -0.45 1.97 5.02 -1.12 -4.55 118.16 120.43 3i55 n LYS 11 Ca 0.04 -2.47 0.06 0.00 -2.02 0.00 0.00 58.31 53.92 3i55 n LYS 11 Cb 0.17 -3.18 0.19 0.00 -0.02 0.00 0.00 35.03 32.19 3i55 n LYS 11 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3i55 n ASN 12 N 5.78 2.11 -4.91 4.39 0.23 -1.26 -5.04 115.26 116.55 3i55 n ASN 12 Ca 0.56 -3.59 -0.27 0.00 -0.53 0.00 0.00 54.58 50.75 3i55 n ASN 12 Cb 0.36 -0.51 -0.02 0.00 -2.08 0.00 0.00 39.78 37.53 3i55 n ASN 12 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3i55 s THR 13 N -3.11 5.00 -0.08 5.53 2.01 -1.26 -5.10 115.64 118.64 3i55 s THR 13 Ca 0.37 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.37 3i55 s THR 13 Cb 0.34 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 69.02 3i55 s THR 13 CO -0.02 -0.55 -0.13 -0.89 -0.69 0.00 0.00 174.62 172.33 3i55 s THR 14 N -2.35 3.10 0.00 -0.82 2.01 -1.26 -5.01 115.64 111.31 3i55 s THR 14 Ca 0.44 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.75 3i55 s THR 14 Cb -0.10 -2.25 0.00 0.00 0.01 0.00 0.00 72.50 70.16 3i55 s THR 14 CO 0.36 0.57 0.00 0.35 -0.69 0.00 0.00 174.62 175.21 3i55 n THR 15 N 2.68 0.00 -2.40 -0.82 -2.24 -1.26 -4.76 114.28 105.48 3i55 n THR 15 Ca -0.17 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.18 3i55 n THR 15 Cb 0.52 -0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 3i55 n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3i55 s HIS 16 N -0.02 2.94 0.20 4.78 3.76 -1.26 0.31 115.29 126.00 3i55 s HIS 16 Ca 0.00 1.03 0.08 0.00 -0.15 0.00 0.00 55.06 56.02 3i55 s HIS 16 Cb 0.00 -3.51 -0.05 0.00 1.11 0.00 0.00 32.58 30.14 3i55 s HIS 16 CO 0.00 -1.73 -0.15 0.95 -0.85 0.00 0.00 174.74 172.97 3i55 s THR 17 N 2.92 1.72 -0.27 1.30 -4.23 0.21 -4.82 115.64 112.47 3i55 s THR 17 Ca 0.57 -2.17 -0.36 0.00 -1.18 0.00 0.00 61.69 58.55 3i55 s THR 17 Cb -0.24 -2.01 -0.12 0.00 1.34 0.00 0.00 72.50 71.47 3i55 s THR 17 CO 0.19 -0.57 2.05 1.17 -0.54 0.00 0.00 174.62 176.92 3i55 n LYS 18 N -0.29 1.38 -2.01 3.99 4.81 -1.26 -1.11 118.16 123.67 3i55 n LYS 18 Ca -0.09 0.44 -0.37 0.00 -0.87 0.00 0.00 58.31 57.42 3i55 n LYS 18 Cb 0.60 -2.48 0.02 0.00 0.02 0.00 0.00 35.03 33.19 3i55 n LYS 18 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i55 h ARG 20 N 1.54 0.61 0.00 0.00 2.43 -1.89 -2.68 114.38 114.39 3i55 h ARG 20 Ca -0.50 -0.73 -0.01 0.00 -0.81 0.00 0.00 59.98 57.93 3i55 h ARG 20 Cb 1.28 0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 31.05 3i55 h ARG 20 CO 0.58 1.31 -0.04 -0.09 -1.51 0.00 0.00 179.97 180.22 3i55 h ARG 21 N 0.24 0.00 0.00 0.20 2.43 -1.97 -3.40 114.38 111.88 3i55 h ARG 21 Ca -0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3i55 h ARG 21 Cb 1.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.26 3i55 h ARG 21 CO 0.20 0.68 -1.49 0.00 -1.51 0.00 0.00 179.97 177.85 3i55 n GLY 23 N 1.26 2.40 3.79 0.00 0.00 -1.01 -5.01 105.19 106.62 3i55 n GLY 23 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3i55 n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i55 s GLU 24 N -0.27 4.13 -1.25 1.61 0.41 -1.26 -4.32 118.70 117.75 3i55 s GLU 24 Ca 0.00 1.42 -0.14 0.00 -0.41 0.00 0.00 54.97 55.83 3i55 s GLU 24 Cb 0.00 -2.43 -0.04 0.00 -1.78 0.00 0.00 34.13 29.88 3i55 s GLU 24 CO 0.00 -0.15 2.27 1.17 -0.49 0.00 0.00 175.26 178.06 3i55 n LYS 25 N -0.27 2.57 0.00 1.61 4.81 -1.26 -0.24 118.16 125.38 3i55 n LYS 25 Ca 0.06 -2.20 0.00 0.00 -0.87 0.00 0.00 58.31 55.29 3i55 n LYS 25 Cb 0.51 -3.01 0.00 0.00 0.02 0.00 0.00 35.03 32.55 3i55 n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3i55 n SER 26 N 5.80 0.93 -4.59 3.14 7.64 -1.13 -4.42 113.62 120.98 3i55 n SER 26 Ca 0.55 -1.41 -0.43 0.00 1.01 0.00 0.00 58.87 58.60 3i55 n SER 26 Cb 0.34 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.51 3i55 n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3i55 s TYR 27 N -0.41 2.79 -0.84 1.43 5.04 -0.27 -1.32 117.35 123.78 3i55 s TYR 27 Ca 0.00 0.57 -0.25 0.00 -2.44 0.00 0.00 57.07 54.95 3i55 s TYR 27 Cb 0.00 -4.37 0.00 0.00 0.35 0.00 0.00 41.96 37.94 3i55 s TYR 27 CO 0.00 -1.31 1.66 -1.58 -1.34 0.00 0.00 175.55 172.97 3i55 s HIS 28 N 4.43 2.08 0.10 4.97 5.65 0.18 0.66 115.29 133.35 3i55 s HIS 28 Ca 0.45 0.11 0.17 0.00 0.25 0.00 0.00 55.06 56.03 3i55 s HIS 28 Cb -0.08 -4.36 0.91 0.00 -1.18 0.00 0.00 32.58 27.88 3i55 s HIS 28 CO 0.29 -1.99 1.44 0.00 -0.65 0.00 0.00 174.74 173.84 3i55 h THR 29 N 6.81 0.00 0.00 0.89 1.03 -0.45 1.86 112.91 123.05 3i55 h THR 29 Ca -0.02 0.00 -0.22 0.00 -0.01 0.00 0.00 66.41 66.16 3i55 h THR 29 Cb 1.05 0.37 -0.04 0.00 -1.07 0.00 0.00 68.15 68.46 3i55 h THR 29 CO 1.29 0.00 -1.71 0.29 -0.01 0.00 0.00 175.52 175.38 3i55 n LYS 30 N -2.21 0.64 -0.00 0.00 5.02 -1.26 -4.21 118.16 116.14 3i55 n LYS 30 Ca -0.01 0.15 0.09 0.00 -2.02 0.00 0.00 58.31 56.53 3i55 n LYS 30 Cb 0.30 -1.72 -0.13 0.00 -0.02 0.00 0.00 35.03 33.46 3i55 n LYS 30 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i55 n LYS 31 N -2.83 0.68 -3.86 1.97 5.02 0.18 -4.99 118.16 114.33 3i55 n LYS 31 Ca -0.15 -0.08 -0.26 0.00 -2.02 0.00 0.00 58.31 55.79 3i55 n LYS 31 Cb 0.92 -1.42 0.02 0.00 -0.02 0.00 0.00 35.03 34.52 3i55 n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i55 n LYS 32 N -1.78 -4.79 -3.87 1.97 4.76 0.58 -4.97 118.16 110.06 3i55 n LYS 32 Ca 0.00 0.56 -0.11 0.00 -2.87 0.00 0.00 58.31 55.89 3i55 n LYS 32 Cb 0.39 -5.19 -0.12 0.00 -1.84 0.00 0.00 35.03 28.27 3i55 n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3i55 s VAL 33 N -3.55 0.05 -0.20 -0.18 1.01 -1.23 -4.58 120.40 111.71 3i55 s VAL 33 Ca 0.31 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.80 3i55 s VAL 33 Cb -0.16 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.90 3i55 s VAL 33 CO 0.84 -0.21 0.19 0.00 0.00 0.00 0.00 175.10 175.92 3i55 h SER 35 N 6.99 0.00 0.00 0.00 4.64 -1.54 -1.46 113.55 122.17 3i55 h SER 35 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3i55 h SER 35 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3i55 h SER 35 CO 0.72 0.08 -0.26 -1.28 -0.87 0.00 0.00 176.83 175.23 3i55 h SER 36 N 0.00 0.00 -0.14 4.97 0.87 -1.93 -3.41 113.55 113.90 3i55 h SER 36 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3i55 h SER 36 Cb 0.80 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 3i55 h SER 36 CO 0.01 0.39 0.00 0.00 -0.53 0.00 0.00 176.83 176.71 3i55 n GLY 38 N 1.31 0.96 3.77 0.00 0.00 -0.55 -1.36 105.19 109.32 3i55 n GLY 38 Ca 0.17 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3i55 n GLY 38 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i55 s PHE 39 N -2.77 2.75 0.00 1.61 5.36 -1.25 -1.94 117.98 121.74 3i55 s PHE 39 Ca 0.00 1.38 0.00 0.00 -0.96 0.00 0.00 56.93 57.35 3i55 s PHE 39 Cb 0.00 -3.72 0.00 0.00 -0.34 0.00 0.00 43.02 38.96 3i55 s PHE 39 CO 0.00 -2.25 0.00 0.41 -1.46 0.00 0.00 175.22 171.92 3i55 n GLY 40 N 0.65 1.21 1.13 13.12 0.00 -1.26 -0.42 105.19 119.62 3i55 n GLY 40 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3i55 n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i55 n LYS 41 N -2.00 0.00 -4.52 1.61 4.81 -0.82 -4.75 118.16 112.49 3i55 n LYS 41 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.21 3i55 n LYS 41 Cb 0.00 -0.44 -0.14 0.00 0.02 0.00 0.00 35.03 34.47 3i55 n LYS 41 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3i55 s SER 42 N -5.11 2.16 0.32 3.14 1.04 -0.85 -5.01 113.70 109.38 3i55 s SER 42 Ca 0.00 -0.50 0.04 0.00 0.48 0.00 0.00 55.95 55.97 3i55 s SER 42 Cb 0.00 -0.16 0.55 0.00 0.10 0.00 0.00 66.02 66.50 3i55 s SER 42 CO 0.00 0.11 1.82 0.00 0.98 0.00 0.00 173.24 176.15 3i55 h ALA 43 N 4.87 1.28 -2.43 5.32 0.00 -1.97 -3.43 119.26 122.91 3i55 h ALA 43 Ca -0.41 -0.26 -0.49 0.00 0.00 0.00 0.00 54.91 53.75 3i55 h ALA 43 Cb 1.17 -0.13 0.09 0.00 0.00 0.00 0.00 17.79 18.92 3i55 h ALA 43 CO 0.44 0.48 0.38 0.15 0.00 0.00 0.00 179.25 180.70 3i55 s LYS 44 N -4.76 2.69 0.01 0.00 1.02 -1.26 -5.02 119.74 112.41 3i55 s LYS 44 Ca -0.07 0.60 -0.26 0.00 0.02 0.00 0.00 55.97 56.27 3i55 s LYS 44 Cb 0.15 -1.99 -0.05 0.00 -0.52 0.00 0.00 37.83 35.42 3i55 s LYS 44 CO 0.77 -1.19 0.80 1.03 -0.92 0.00 0.00 175.35 175.84 3i55 s ARG 45 N -5.24 4.50 0.04 1.68 1.81 -1.26 -4.84 118.95 115.65 3i55 s ARG 45 Ca 0.59 1.10 -0.30 0.00 -1.72 0.00 0.00 55.73 55.39 3i55 s ARG 45 Cb -0.12 -3.40 -0.09 0.00 -0.45 0.00 0.00 34.95 30.89 3i55 s ARG 45 CO 0.53 0.16 1.85 0.50 -0.68 0.00 0.00 175.30 177.66 3i55 s ARG 46 N 0.37 4.15 -0.12 3.54 3.52 -0.46 -4.96 118.95 124.99 3i55 s ARG 46 Ca 0.41 2.50 -0.18 0.00 -0.13 0.00 0.00 55.73 58.33 3i55 s ARG 46 Cb -0.20 -3.94 0.04 0.00 -1.56 0.00 0.00 34.95 29.29 3i55 s ARG 46 CO 0.23 -0.89 0.46 0.34 -0.81 0.00 0.00 175.30 174.63 3i55 s ASP 47 N 3.64 -0.44 0.02 -2.12 -1.08 -1.26 -4.74 116.67 110.69 3i55 s ASP 47 Ca 0.82 0.71 -0.01 0.00 -0.52 0.00 0.00 52.55 53.55 3i55 s ASP 47 Cb -0.41 0.75 -0.02 0.00 -1.46 0.00 0.00 42.92 41.78 3i55 s ASP 47 CO 0.37 -0.29 -0.01 -0.31 0.52 0.00 0.00 175.17 175.45 3i55 s TYR 48 N -0.33 0.21 -0.23 -5.34 1.51 -1.26 -5.04 117.35 106.87 3i55 s TYR 48 Ca -0.05 -0.43 0.28 0.00 -1.01 0.00 0.00 57.07 55.87 3i55 s TYR 48 Cb -0.03 -0.16 1.06 0.00 -0.11 0.00 0.00 41.96 42.72 3i55 s TYR 48 CO 0.03 -0.18 1.83 0.93 -1.11 0.00 0.00 175.55 177.05 3i55 h GLU 49 N 4.75 0.00 -0.25 -0.62 4.39 -2.02 -2.87 114.58 117.97 3i55 h GLU 49 Ca -0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.39 3i55 h GLU 49 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3i55 h GLU 49 CO 0.42 0.00 0.00 -2.67 -1.16 0.00 0.00 179.01 175.60 3i55 n TRP 50 N -2.75 0.25 0.94 4.33 4.27 -1.26 -3.17 117.44 120.05 3i55 n TRP 50 Ca 0.02 -0.12 0.05 0.00 -3.89 0.00 0.00 57.50 53.56 3i55 n TRP 50 Cb 0.33 -0.02 0.14 0.00 -1.36 0.00 0.00 31.31 30.40 3i55 n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 3i55 n GLN 51 N 0.01 1.79 -3.48 -2.67 6.02 -1.08 -4.83 117.38 113.14 3i55 n GLN 51 Ca 0.06 -1.15 -0.13 0.00 -0.01 0.00 0.00 57.00 55.77 3i55 n GLN 51 Cb 0.18 -1.28 -0.03 0.00 1.02 0.00 0.00 30.24 30.12 3i55 n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3i55 s SER 52 N -0.95 -0.51 0.30 1.08 1.04 -1.19 -5.11 113.70 108.35 3i55 s SER 52 Ca 0.21 0.04 -0.30 0.00 0.48 0.00 0.00 55.95 56.38 3i55 s SER 52 Cb 0.11 0.56 -0.11 0.00 0.10 0.00 0.00 66.02 66.69 3i55 s SER 52 CO 0.14 -0.89 1.55 -0.54 0.98 0.00 0.00 173.24 174.48 3i55 s LYS 53 N -3.37 4.15 0.27 4.02 -0.14 -1.26 -4.85 119.74 118.55 3i55 s LYS 53 Ca -0.01 2.53 0.08 0.00 -1.36 0.00 0.00 55.97 57.21 3i55 s LYS 53 Cb -0.00 -3.03 0.82 0.00 -1.68 0.00 0.00 37.83 33.94 3i55 s LYS 53 CO -0.09 -0.58 1.28 0.00 -0.76 0.00 0.00 175.35 175.19 3i55 n ALA 54 N 1.98 0.59 -1.65 5.17 0.00 -1.26 0.20 120.51 125.54 3i55 n ALA 54 Ca 0.07 0.85 -0.38 0.00 0.00 0.00 0.00 53.44 53.99 3i55 n ALA 54 Cb 0.38 -0.72 0.06 0.00 0.00 0.00 0.00 19.45 19.17 3i55 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i55 n GLY 55 N -1.33 5.69 0.00 0.00 0.00 -1.26 -5.16 105.19 103.14 3i55 n GLY 55 Ca 0.24 -2.41 0.00 0.00 0.00 0.00 0.00 46.02 43.86 3i55 n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11