#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oq3 s LEU 2 N 0.00 -0.31 0.00 4.03 0.05 -1.26 -5.18 118.68 116.02 1oq3 s LEU 2 Ca 0.00 0.26 0.00 0.00 0.05 0.00 0.00 54.13 54.44 1oq3 s LEU 2 Cb 0.00 1.75 0.00 0.00 -2.05 0.00 0.00 46.19 45.89 1oq3 s LEU 2 CO 0.00 -0.34 0.00 -1.54 -0.55 0.00 0.00 176.35 173.92 1oq3 n SER 3 N 0.48 0.00 -3.76 1.48 3.41 -1.26 -5.14 113.62 108.83 1oq3 n SER 3 Ca -0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.42 1oq3 n SER 3 Cb 0.59 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.46 1oq3 n SER 3 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1oq3 s GLU 4 N 0.00 0.81 0.29 4.33 4.04 -1.26 -5.17 118.70 121.74 1oq3 s GLU 4 Ca 0.00 -0.55 0.05 0.00 0.04 0.00 0.00 54.97 54.51 1oq3 s GLU 4 Cb 0.00 0.35 -0.02 0.00 0.02 0.00 0.00 34.13 34.47 1oq3 s GLU 4 CO 0.00 -0.26 0.43 1.14 -1.84 0.00 0.00 175.26 174.73 1oq3 s GLN 5 N -2.65 3.33 0.03 -4.83 -2.07 -1.26 -4.39 119.66 107.81 1oq3 s GLN 5 Ca -0.04 -0.78 -0.04 0.00 -1.82 0.00 0.00 55.36 52.68 1oq3 s GLN 5 Cb -0.01 -2.83 -0.02 0.00 -1.09 0.00 0.00 33.01 29.07 1oq3 s GLN 5 CO -0.04 0.25 0.05 0.15 -1.32 0.00 0.00 175.29 174.38 1oq3 s LYS 6 N -4.11 0.53 -0.48 9.60 1.02 -0.25 -4.98 119.74 121.07 1oq3 s LYS 6 Ca 0.39 -0.79 -0.22 0.00 0.02 0.00 0.00 55.97 55.37 1oq3 s LYS 6 Cb -0.09 0.20 0.04 0.00 -0.52 0.00 0.00 37.83 37.45 1oq3 s LYS 6 CO 0.31 -0.12 0.76 -1.83 -0.92 0.00 0.00 175.35 173.55 1oq3 s GLU 7 N -2.54 3.30 0.30 1.68 -1.05 -1.26 -1.46 118.70 117.67 1oq3 s GLU 7 Ca -0.06 -0.35 -0.06 0.00 -0.15 0.00 0.00 54.97 54.36 1oq3 s GLU 7 Cb -0.02 -4.00 -0.05 0.00 -0.44 0.00 0.00 34.13 29.62 1oq3 s GLU 7 CO -0.04 -1.20 0.57 -1.50 0.95 0.00 0.00 175.26 174.04 1oq3 s ILE 8 N 3.22 5.00 -0.03 1.83 2.07 -0.14 -4.95 121.20 128.20 1oq3 s ILE 8 Ca 0.26 0.12 0.01 0.00 -1.41 0.00 0.00 60.65 59.63 1oq3 s ILE 8 Cb -0.14 -3.73 0.02 0.00 0.13 0.00 0.00 42.46 38.74 1oq3 s ILE 8 CO 0.19 -0.33 -0.03 0.00 -1.91 0.00 0.00 174.94 172.85 1oq3 s ALA 9 N -2.10 0.50 0.22 1.50 0.00 -1.26 -1.30 121.76 119.31 1oq3 s ALA 9 Ca 0.45 -0.04 -0.17 0.00 0.00 0.00 0.00 51.96 52.20 1oq3 s ALA 9 Cb -0.11 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.74 1oq3 s ALA 9 CO 0.30 0.01 0.55 0.00 0.00 0.00 0.00 175.76 176.62 1oq3 s MET 10 N 0.62 1.47 0.29 0.00 0.00 -0.28 -4.99 119.30 116.41 1oq3 s MET 10 Ca -0.07 -0.95 -0.03 0.00 0.00 0.00 0.00 55.69 54.64 1oq3 s MET 10 Cb -0.11 0.53 -0.04 0.00 0.00 0.00 0.00 34.83 35.21 1oq3 s MET 10 CO -0.00 -0.63 0.53 -0.65 0.00 0.00 0.00 175.02 174.26 1oq3 s GLN 11 N -3.91 3.57 0.30 3.16 1.11 -0.50 -0.47 119.66 122.92 1oq3 s GLN 11 Ca 0.12 -0.15 0.11 0.00 0.01 0.00 0.00 55.36 55.45 1oq3 s GLN 11 Cb -0.02 -2.68 -0.05 0.00 -1.01 0.00 0.00 33.01 29.25 1oq3 s GLN 11 CO 0.01 0.22 -0.16 0.08 0.01 0.00 0.00 175.29 175.44 1oq3 s VAL 12 N -2.12 2.37 -0.02 1.09 1.01 -0.82 -0.72 120.40 121.20 1oq3 s VAL 12 Ca 0.42 -2.34 0.03 0.00 0.00 0.00 0.00 61.98 60.09 1oq3 s VAL 12 Cb -0.10 -2.40 -0.00 0.00 0.00 0.00 0.00 36.38 33.87 1oq3 s VAL 12 CO 0.32 -0.34 -0.12 -0.55 0.00 0.00 0.00 175.10 174.40 1oq3 s SER 13 N -3.53 1.46 0.00 3.32 0.15 0.11 -4.87 113.70 110.34 1oq3 s SER 13 Ca 0.31 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1oq3 s SER 13 Cb -0.02 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 1oq3 s SER 13 CO 0.15 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.32 1oq3 n GLY 14 N 3.00 2.00 3.43 9.45 0.00 -1.26 -2.14 105.19 119.66 1oq3 n GLY 14 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1oq3 n GLY 14 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1oq3 n MET 15 N -0.21 0.48 -0.64 1.61 3.85 -1.26 -4.96 117.12 115.98 1oq3 n MET 15 Ca 0.00 0.17 0.04 0.00 -1.00 0.00 0.00 57.70 56.91 1oq3 n MET 15 Cb 0.00 -1.41 0.06 0.00 -1.05 0.00 0.00 33.22 30.82 1oq3 n MET 15 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1oq3 n THR 16 N -0.77 0.68 -4.84 3.17 -2.24 -1.26 -5.01 114.28 104.01 1oq3 n THR 16 Ca 0.12 -1.11 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 1oq3 n THR 16 Cb 0.38 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1oq3 n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oq3 n ALA 18 N 4.96 -2.13 -1.19 0.00 0.00 -1.26 -0.34 120.51 120.55 1oq3 n ALA 18 Ca 0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 53.44 52.92 1oq3 n ALA 18 Cb 0.00 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.27 1oq3 n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oq3 n ALA 19 N -4.69 -0.10 0.16 0.00 0.00 -1.26 -4.90 120.51 109.72 1oq3 n ALA 19 Ca -0.29 0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.19 1oq3 n ALA 19 Cb 0.67 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 1oq3 n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oq3 h ALA 21 N -1.15 1.56 -0.99 0.00 0.00 -1.91 0.18 119.26 116.96 1oq3 h ALA 21 Ca -0.05 0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.08 1oq3 h ALA 21 Cb 0.37 -0.22 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 1oq3 h ALA 21 CO 0.08 0.24 0.62 0.00 0.00 0.00 0.00 179.25 180.19 1oq3 h ALA 22 N 1.53 1.97 -0.93 0.00 0.00 -1.92 0.43 119.26 120.34 1oq3 h ALA 22 Ca 0.45 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.44 1oq3 h ALA 22 Cb 0.41 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1oq3 h ALA 22 CO -0.21 -0.33 0.61 0.00 0.00 0.00 0.00 179.25 179.32 1oq3 h ARG 23 N 0.57 1.18 0.40 0.00 2.47 -0.60 0.15 114.38 118.54 1oq3 h ARG 23 Ca 0.56 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 59.20 1oq3 h ARG 23 Cb 1.15 -0.27 -0.03 0.00 -1.65 0.00 0.00 29.97 29.18 1oq3 h ARG 23 CO -0.31 0.78 -0.49 0.82 0.56 0.00 0.00 179.97 181.33 1oq3 h ILE 24 N 1.21 0.00 -0.05 2.04 2.04 -0.91 0.07 117.51 121.91 1oq3 h ILE 24 Ca 0.36 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 66.06 1oq3 h ILE 24 Cb -0.06 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.01 1oq3 h ILE 24 CO -0.10 0.00 -0.67 -0.08 0.00 0.00 0.00 178.15 177.29 1oq3 h GLU 25 N -0.91 0.24 -0.94 2.37 4.57 -1.42 -2.36 114.58 116.12 1oq3 h GLU 25 Ca -0.05 -0.19 0.11 0.00 -1.18 0.00 0.00 59.36 58.06 1oq3 h GLU 25 Cb 0.81 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.36 1oq3 h GLU 25 CO -0.11 0.82 0.60 0.87 -1.18 0.00 0.00 179.01 180.02 1oq3 h LYS 26 N 0.17 0.89 -0.29 1.92 1.79 -0.48 0.25 116.57 120.82 1oq3 h LYS 26 Ca -0.02 -0.05 0.07 0.00 -2.18 0.00 0.00 60.65 58.47 1oq3 h LYS 26 Cb 1.21 -0.20 -0.07 0.00 -1.58 0.00 0.00 32.23 31.59 1oq3 h LYS 26 CO 0.10 0.59 -0.17 0.78 -1.08 0.00 0.00 179.45 179.67 1oq3 h GLY 27 N 0.91 0.03 1.62 3.86 0.00 -0.44 -2.13 103.07 106.92 1oq3 h GLY 27 Ca 0.45 0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.96 1oq3 h GLY 27 CO -0.22 -0.18 0.02 1.41 0.00 0.00 0.00 176.54 177.58 1oq3 h LEU 28 N -0.14 0.44 -2.43 3.11 3.38 -0.70 0.49 115.31 119.45 1oq3 h LEU 28 Ca 0.15 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1oq3 h LEU 28 Cb 0.38 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1oq3 h LEU 28 CO -0.38 0.49 0.00 0.50 0.09 0.00 0.00 178.44 179.15 1oq3 h LYS 29 N 0.46 0.00 0.00 1.13 1.63 0.01 0.20 116.57 120.00 1oq3 h LYS 29 Ca 0.10 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1oq3 h LYS 29 Cb 0.27 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1oq3 h LYS 29 CO 0.01 0.00 -0.46 0.54 -3.45 0.00 0.00 179.45 176.09 1oq3 n ARG 30 N -2.78 0.28 -2.48 1.90 3.00 0.15 -4.92 116.66 111.80 1oq3 n ARG 30 Ca -0.02 0.12 -0.41 0.00 -0.01 0.00 0.00 57.85 57.52 1oq3 n ARG 30 Cb 0.06 -1.71 -0.04 0.00 0.00 0.00 0.00 32.46 30.77 1oq3 n ARG 30 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1oq3 s MET 31 N -3.14 4.55 -0.15 5.56 -1.94 0.68 -4.96 119.30 119.90 1oq3 s MET 31 Ca 0.08 1.74 -0.29 0.00 -1.71 0.00 0.00 55.69 55.51 1oq3 s MET 31 Cb 0.13 -3.28 -0.05 0.00 2.01 0.00 0.00 34.83 33.64 1oq3 s MET 31 CO 0.69 0.00 1.97 -1.25 -0.01 0.00 0.00 175.02 176.42 1oq3 s PRO 32 N -0.14 3.60 0.00 2.03 0.04 -1.26 -2.47 135.00 136.80 1oq3 s PRO 32 Ca 0.51 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.62 1oq3 s PRO 32 Cb -0.30 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.03 1oq3 s PRO 32 CO 0.34 -1.55 0.00 0.41 0.04 0.00 0.00 177.00 176.24 1oq3 n GLY 33 N 5.11 1.49 3.76 0.56 0.00 -1.26 -4.48 105.19 110.36 1oq3 n GLY 33 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 1oq3 n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oq3 s VAL 34 N -1.22 2.98 -0.01 1.61 0.11 -1.03 -0.41 120.40 122.43 1oq3 s VAL 34 Ca 0.00 0.48 -0.03 0.00 -2.93 0.00 0.00 61.98 59.50 1oq3 s VAL 34 Cb 0.00 -3.02 -0.02 0.00 -1.53 0.00 0.00 36.38 31.81 1oq3 s VAL 34 CO 0.00 -0.26 -0.07 0.41 -3.33 0.00 0.00 175.10 171.86 1oq3 n THR 35 N -2.37 0.71 -3.88 5.04 -1.04 0.38 -4.89 114.28 108.23 1oq3 n THR 35 Ca 0.11 0.11 -0.09 0.00 -2.04 0.00 0.00 64.05 62.14 1oq3 n THR 35 Cb 0.51 -1.64 -0.08 0.00 -1.82 0.00 0.00 70.33 67.30 1oq3 n THR 35 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1oq3 s ASP 36 N -5.68 0.13 -0.07 8.00 2.15 -1.02 -5.02 116.67 115.15 1oq3 s ASP 36 Ca -0.06 -0.57 -0.03 0.00 0.43 0.00 0.00 52.55 52.32 1oq3 s ASP 36 Cb 0.02 0.30 0.04 0.00 -0.30 0.00 0.00 42.92 42.98 1oq3 s ASP 36 CO 0.09 -0.63 0.16 0.00 -0.17 0.00 0.00 175.17 174.61 1oq3 s ALA 37 N -3.26 -0.26 -0.13 3.66 0.00 -1.26 -0.41 121.76 120.10 1oq3 s ALA 37 Ca 0.00 0.68 -0.04 0.00 0.00 0.00 0.00 51.96 52.60 1oq3 s ALA 37 Cb 0.02 -0.57 0.06 0.00 0.00 0.00 0.00 23.12 22.63 1oq3 s ALA 37 CO -0.08 -0.27 0.16 -0.80 0.00 0.00 0.00 175.76 174.77 1oq3 s ASN 38 N 1.49 1.20 0.01 0.00 0.01 0.22 -4.92 114.94 112.96 1oq3 s ASN 38 Ca -0.06 0.02 -0.16 0.00 -0.71 0.00 0.00 52.86 51.95 1oq3 s ASN 38 Cb -0.12 0.20 -0.06 0.00 0.41 0.00 0.00 41.25 41.68 1oq3 s ASN 38 CO -0.06 -0.28 0.46 0.54 -1.51 0.00 0.00 177.10 176.24 1oq3 s VAL 39 N 2.27 4.96 -0.53 1.60 0.11 -1.26 -0.63 120.40 126.93 1oq3 s VAL 39 Ca 0.04 0.95 0.07 0.00 -2.93 0.00 0.00 61.98 60.11 1oq3 s VAL 39 Cb -0.14 -3.77 0.26 0.00 -1.53 0.00 0.00 36.38 31.20 1oq3 s VAL 39 CO -0.08 0.55 0.67 -3.20 -3.33 0.00 0.00 175.10 169.72 1oq3 n ASN 40 N 1.95 2.29 0.21 3.54 5.15 0.12 -4.94 115.26 123.59 1oq3 n ASN 40 Ca -0.12 -3.15 0.15 0.00 -0.60 0.00 0.00 54.58 50.85 1oq3 n ASN 40 Cb 0.52 -0.65 0.72 0.00 -0.53 0.00 0.00 39.78 39.84 1oq3 n ASN 40 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1oq3 h LEU 41 N 3.96 0.00 -2.05 1.20 3.38 -1.92 -0.20 115.31 119.68 1oq3 h LEU 41 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1oq3 h LEU 41 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1oq3 h LEU 41 CO 0.68 0.00 0.31 0.00 0.09 0.00 0.00 178.44 179.52 1oq3 h ALA 42 N 2.07 1.31 0.00 1.53 0.00 -1.92 -1.67 119.26 120.59 1oq3 h ALA 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1oq3 h ALA 42 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1oq3 h ALA 42 CO 0.00 -0.31 -0.33 2.41 0.00 0.00 0.00 179.25 181.02 1oq3 n THR 43 N -2.89 0.31 -2.95 0.00 -1.04 -0.18 -5.00 114.28 102.53 1oq3 n THR 43 Ca -0.02 -0.37 -0.17 0.00 -2.04 0.00 0.00 64.05 61.45 1oq3 n THR 43 Cb 0.36 0.47 -0.01 0.00 -1.82 0.00 0.00 70.33 69.34 1oq3 n THR 43 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1oq3 n GLU 44 N -0.23 -2.84 -4.32 -2.82 4.71 -0.63 -4.92 120.64 109.59 1oq3 n GLU 44 Ca 0.02 0.43 -0.23 0.00 -0.01 0.00 0.00 57.16 57.38 1oq3 n GLU 44 Cb 0.64 -5.07 -0.12 0.00 -1.01 0.00 0.00 31.44 25.89 1oq3 n GLU 44 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1oq3 s THR 45 N -2.69 1.81 0.02 2.62 2.01 -0.63 -1.94 115.64 116.85 1oq3 s THR 45 Ca 0.22 -1.78 0.02 0.00 0.31 0.00 0.00 61.69 60.46 1oq3 s THR 45 Cb -0.12 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.63 1oq3 s THR 45 CO 0.26 -0.20 -0.08 0.54 -0.69 0.00 0.00 174.62 174.45 1oq3 s VAL 46 N -1.68 0.60 -0.07 3.82 0.11 0.38 0.13 120.40 123.69 1oq3 s VAL 46 Ca 0.12 -0.67 -0.01 0.00 -2.93 0.00 0.00 61.98 58.49 1oq3 s VAL 46 Cb -0.07 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 34.17 1oq3 s VAL 46 CO 0.06 -0.08 -0.02 0.21 -3.33 0.00 0.00 175.10 171.94 1oq3 s ASN 47 N -0.83 5.03 -0.01 3.54 3.84 0.20 -1.13 114.94 125.58 1oq3 s ASN 47 Ca -0.02 0.08 0.00 0.00 0.21 0.00 0.00 52.86 53.12 1oq3 s ASN 47 Cb -0.06 -1.36 0.02 0.00 -0.55 0.00 0.00 41.25 39.30 1oq3 s ASN 47 CO 0.00 0.37 0.01 0.54 -2.79 0.00 0.00 177.10 175.23 1oq3 s VAL 48 N -0.87 -0.01 -0.29 -5.21 0.11 -0.42 -0.61 120.40 113.10 1oq3 s VAL 48 Ca 0.13 0.11 -0.09 0.00 -2.93 0.00 0.00 61.98 59.20 1oq3 s VAL 48 Cb -0.11 -0.06 -0.02 0.00 -1.53 0.00 0.00 36.38 34.66 1oq3 s VAL 48 CO 0.03 0.05 0.14 -0.63 -3.33 0.00 0.00 175.10 171.35 1oq3 s ILE 49 N 0.57 4.67 0.26 7.04 1.01 0.45 -0.97 121.20 134.23 1oq3 s ILE 49 Ca -0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.34 1oq3 s ILE 49 Cb -0.07 -3.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 1oq3 s ILE 49 CO -0.02 0.18 0.33 -0.72 0.00 0.00 0.00 174.94 174.71 1oq3 s TYR 50 N 1.64 0.99 -0.20 3.97 -0.85 -0.53 -0.47 117.35 121.91 1oq3 s TYR 50 Ca 0.06 -1.22 -0.04 0.00 -0.52 0.00 0.00 57.07 55.35 1oq3 s TYR 50 Cb -0.16 -0.26 -0.02 0.00 0.38 0.00 0.00 41.96 41.90 1oq3 s TYR 50 CO 0.06 -0.89 -0.03 0.34 -1.52 0.00 0.00 175.55 173.51 1oq3 s ASP 51 N -3.17 4.51 0.00 -0.18 -1.08 0.45 -1.09 116.67 116.12 1oq3 s ASP 51 Ca 0.33 -0.30 0.07 0.00 -0.52 0.00 0.00 52.55 52.12 1oq3 s ASP 51 Cb 0.03 -1.76 0.40 0.00 -1.46 0.00 0.00 42.92 40.12 1oq3 s ASP 51 CO 0.15 0.04 0.80 -0.81 0.52 0.00 0.00 175.17 175.87 1oq3 n PRO 52 N 4.41 0.32 -0.01 4.34 -0.04 -1.12 -0.37 135.00 142.54 1oq3 n PRO 52 Ca -0.18 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.12 1oq3 n PRO 52 Cb 0.51 -1.32 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 1oq3 n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1oq3 h ALA 53 N 2.29 0.10 0.00 0.55 0.00 -1.95 -3.37 119.26 116.88 1oq3 h ALA 53 Ca 0.00 -0.53 -0.36 0.00 0.00 0.00 0.00 54.91 54.02 1oq3 h ALA 53 Cb 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1oq3 h ALA 53 CO 0.00 0.30 -2.35 0.39 0.00 0.00 0.00 179.25 177.59 1oq3 n GLU 54 N -4.28 0.70 -3.88 0.00 1.02 -1.08 -5.08 120.64 108.03 1oq3 n GLU 54 Ca -0.10 0.09 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 1oq3 n GLU 54 Cb 0.62 -1.48 -0.16 0.00 -0.02 0.00 0.00 31.44 30.39 1oq3 n GLU 54 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1oq3 s THR 55 N -2.48 0.09 0.05 2.62 2.01 0.50 -4.95 115.64 113.49 1oq3 s THR 55 Ca -0.26 0.10 -0.03 0.00 0.31 0.00 0.00 61.69 61.82 1oq3 s THR 55 Cb 0.08 -0.18 0.01 0.00 0.01 0.00 0.00 72.50 72.41 1oq3 s THR 55 CO 0.62 0.11 0.16 0.61 -0.69 0.00 0.00 174.62 175.43 1oq3 n GLY 56 N 3.98 1.53 0.25 4.40 0.00 -1.26 -2.79 105.19 111.30 1oq3 n GLY 56 Ca -0.25 -1.01 0.17 0.00 0.00 0.00 0.00 46.02 44.92 1oq3 n GLY 56 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1oq3 n THR 57 N -0.11 -0.32 -0.17 2.61 5.66 -1.26 -0.31 114.28 120.39 1oq3 n THR 57 Ca -0.01 1.60 -0.12 0.00 -3.05 0.00 0.00 64.05 62.47 1oq3 n THR 57 Cb 0.10 -2.44 -0.08 0.00 -1.55 0.00 0.00 70.33 66.36 1oq3 n THR 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1oq3 h ALA 58 N 1.50 -0.62 -0.13 1.79 0.00 -2.00 0.12 119.26 119.92 1oq3 h ALA 58 Ca 0.53 0.04 -0.21 0.00 0.00 0.00 0.00 54.91 55.27 1oq3 h ALA 58 Cb 1.26 1.07 0.00 0.00 0.00 0.00 0.00 17.79 20.12 1oq3 h ALA 58 CO -0.65 -0.97 -0.75 0.00 0.00 0.00 0.00 179.25 176.87 1oq3 h ALA 59 N 0.20 0.42 0.93 0.00 0.00 -1.04 -3.26 119.26 116.52 1oq3 h ALA 59 Ca 0.11 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1oq3 h ALA 59 Cb 0.58 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1oq3 h ALA 59 CO -0.63 0.71 -0.45 0.82 0.00 0.00 0.00 179.25 179.70 1oq3 h ILE 60 N 0.45 0.03 -0.58 0.00 5.03 -0.79 -2.24 117.51 119.41 1oq3 h ILE 60 Ca -0.04 -0.06 0.11 0.00 -0.12 0.00 0.00 64.86 64.75 1oq3 h ILE 60 Cb 1.36 0.04 -0.11 0.00 -3.03 0.00 0.00 36.82 35.07 1oq3 h ILE 60 CO 0.15 0.00 -0.25 1.56 -0.68 0.00 0.00 178.15 178.93 1oq3 h GLN 61 N -1.31 -0.10 -0.75 2.37 7.50 -0.88 0.27 115.11 122.21 1oq3 h GLN 61 Ca -0.13 0.01 0.12 0.00 0.50 0.00 0.00 58.65 59.15 1oq3 h GLN 61 Cb 0.96 0.02 -0.13 0.00 0.05 0.00 0.00 27.48 28.39 1oq3 h GLN 61 CO 0.21 -0.07 -0.39 1.49 -1.50 0.00 0.00 178.83 178.57 1oq3 h GLU 62 N -0.11 -0.11 -0.26 1.46 4.22 -1.57 0.54 114.58 118.74 1oq3 h GLU 62 Ca 0.26 0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.60 1oq3 h GLU 62 Cb 0.51 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1oq3 h GLU 62 CO -0.64 -0.07 -0.24 0.87 -2.18 0.00 0.00 179.01 176.74 1oq3 h LYS 63 N -0.11 0.63 -0.62 1.92 6.56 -0.36 -3.12 116.57 121.47 1oq3 h LYS 63 Ca 0.25 -0.33 0.11 0.00 -1.06 0.00 0.00 60.65 59.63 1oq3 h LYS 63 Cb 0.56 0.01 -0.08 0.00 -0.57 0.00 0.00 32.23 32.15 1oq3 h LYS 63 CO -0.80 0.93 0.18 0.82 -2.06 0.00 0.00 179.45 178.51 1oq3 h ILE 64 N 0.35 0.68 -0.43 1.86 1.08 0.48 0.24 117.51 121.77 1oq3 h ILE 64 Ca 0.04 -0.11 0.09 0.00 -0.39 0.00 0.00 64.86 64.49 1oq3 h ILE 64 Cb 0.80 0.33 -0.08 0.00 -3.07 0.00 0.00 36.82 34.80 1oq3 h ILE 64 CO 0.06 0.06 -0.12 -0.33 -0.69 0.00 0.00 178.15 177.13 1oq3 h GLU 65 N 0.32 -0.02 -0.04 2.37 4.39 -0.91 -2.47 114.58 118.22 1oq3 h GLU 65 Ca 0.33 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.90 1oq3 h GLU 65 Cb 0.47 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1oq3 h GLU 65 CO -0.38 -0.01 -0.55 -0.22 -1.16 0.00 0.00 179.01 176.69 1oq3 h LYS 66 N -0.02 0.12 -0.09 2.33 3.64 -0.64 0.70 116.57 122.61 1oq3 h LYS 66 Ca 0.21 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1oq3 h LYS 66 Cb 0.33 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1oq3 h LYS 66 CO -0.45 0.64 0.27 -0.07 -2.27 0.00 0.00 179.45 177.57 1oq3 h LEU 67 N 0.09 0.00 0.00 5.20 -0.00 -0.24 -3.45 115.31 116.92 1oq3 h LEU 67 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1oq3 h LEU 67 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 1oq3 h LEU 67 CO 0.08 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.13 1oq3 n GLY 68 N -1.27 1.51 3.16 0.83 0.00 0.24 -4.96 105.19 104.71 1oq3 n GLY 68 Ca -0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1oq3 n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oq3 s TYR 69 N -2.00 0.91 -0.20 1.61 1.51 -1.05 -5.00 117.35 113.14 1oq3 s TYR 69 Ca 0.00 -1.18 -0.01 0.00 -1.01 0.00 0.00 57.07 54.87 1oq3 s TYR 69 Cb 0.00 -0.52 0.01 0.00 -0.11 0.00 0.00 41.96 41.34 1oq3 s TYR 69 CO 0.00 -0.44 -0.13 -1.01 -1.11 0.00 0.00 175.55 172.86 1oq3 s HIS 70 N -3.95 2.86 0.33 2.71 3.76 -0.91 -3.25 115.29 116.84 1oq3 s HIS 70 Ca 0.23 -1.32 -0.15 0.00 -0.15 0.00 0.00 55.06 53.67 1oq3 s HIS 70 Cb 0.07 -2.00 -0.09 0.00 1.11 0.00 0.00 32.58 31.68 1oq3 s HIS 70 CO 0.01 -0.69 0.75 0.54 -0.85 0.00 0.00 174.74 174.50 1oq3 s VAL 71 N 1.36 4.68 -0.10 -0.90 0.11 -1.26 0.06 120.40 124.35 1oq3 s VAL 71 Ca 0.05 0.93 -0.02 0.00 -2.93 0.00 0.00 61.98 60.01 1oq3 s VAL 71 Cb -0.14 -3.62 0.04 0.00 -1.53 0.00 0.00 36.38 31.13 1oq3 s VAL 71 CO -0.08 -0.23 0.03 0.68 -3.33 0.00 0.00 175.10 172.17 1oq3 s VAL 72 N -2.03 0.26 -0.83 2.04 -7.23 0.10 -4.90 120.40 107.80 1oq3 s VAL 72 Ca 0.54 0.01 0.02 0.00 -1.81 0.00 0.00 61.98 60.73 1oq3 s VAL 72 Cb -0.10 -0.57 0.30 0.00 0.56 0.00 0.00 36.38 36.57 1oq3 s VAL 72 CO 0.19 0.08 1.20 -0.38 -0.31 0.00 0.00 175.10 175.88 1oq3 n ILE 73 N 5.17 4.09 -3.38 -0.62 5.41 -1.26 -1.41 119.36 127.36 1oq3 n ILE 73 Ca -0.07 -5.65 -0.38 0.00 1.00 0.00 0.00 62.75 57.65 1oq3 n ILE 73 Cb 0.49 -1.86 -0.07 0.00 -0.71 0.00 0.00 39.64 37.49 1oq3 n ILE 73 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1oq3 s GLU 74 N -3.10 4.19 0.00 0.38 0.41 -1.26 -4.85 118.70 114.47 1oq3 s GLU 74 Ca 0.39 0.22 0.00 0.00 -0.41 0.00 0.00 54.97 55.17 1oq3 s GLU 74 Cb 0.15 -3.53 0.00 0.00 -1.78 0.00 0.00 34.13 28.97 1oq3 s GLU 74 CO -0.02 -0.02 0.00 0.41 -0.49 0.00 0.00 175.26 175.14 1oq3 n GLY 75 N 3.87 -3.47 0.00 -1.39 0.00 -1.26 -4.96 105.19 97.98 1oq3 n GLY 75 Ca -0.08 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1oq3 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86