#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 -0.80 -0.40 4.03 2.96 -1.26 -5.10 118.68 118.11 1oq3 s LEU 2 Ca 0.00 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.46 1oq3 s LEU 2 Cb 0.00 1.02 0.20 0.00 0.50 0.00 0.00 46.19 47.91 1oq3 s LEU 2 CO 0.00 -0.08 0.96 -0.94 -1.32 0.00 0.00 176.35 174.97 1oq3 s SER 3 N 1.87 -0.70 -0.06 3.68 1.04 -1.26 -5.04 113.70 113.22 1oq3 s SER 3 Ca 0.16 -0.76 0.05 0.00 0.48 0.00 0.00 55.95 55.87 1oq3 s SER 3 Cb 0.01 0.92 -0.00 0.00 0.10 0.00 0.00 66.02 67.04 1oq3 s SER 3 CO -0.12 -0.03 -0.21 -0.70 0.98 0.00 0.00 173.24 173.16 1oq3 s GLU 4 N 1.09 2.38 0.43 4.02 2.12 -1.26 -5.15 118.70 122.33 1oq3 s GLU 4 Ca 0.24 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 54.80 1oq3 s GLU 4 Cb 0.07 -1.96 -0.01 0.00 0.26 0.00 0.00 34.13 32.49 1oq3 s GLU 4 CO -0.09 0.26 0.65 1.14 -0.54 0.00 0.00 175.26 176.67 1oq3 s GLN 5 N 0.10 3.20 0.06 4.30 -2.07 -1.26 -4.49 119.66 119.49 1oq3 s GLN 5 Ca -0.09 -0.41 -0.08 0.00 -1.82 0.00 0.00 55.36 52.96 1oq3 s GLN 5 Cb -0.14 -2.57 -0.00 0.00 -1.09 0.00 0.00 33.01 29.20 1oq3 s GLN 5 CO 0.05 -0.16 0.17 0.15 -1.32 0.00 0.00 175.29 174.18 1oq3 s LYS 6 N -4.51 0.74 -0.12 9.60 -0.14 -0.23 -4.97 119.74 120.11 1oq3 s LYS 6 Ca 0.46 -0.81 -0.21 0.00 -1.36 0.00 0.00 55.97 54.05 1oq3 s LYS 6 Cb -0.10 0.30 -0.03 0.00 -1.68 0.00 0.00 37.83 36.32 1oq3 s LYS 6 CO 0.38 -0.22 0.62 -1.83 -0.76 0.00 0.00 175.35 173.55 1oq3 s GLU 7 N -3.16 4.34 0.12 1.68 1.03 -1.26 -1.50 118.70 119.95 1oq3 s GLU 7 Ca -0.00 0.69 0.04 0.00 0.03 0.00 0.00 54.97 55.73 1oq3 s GLU 7 Cb 0.02 -3.49 -0.04 0.00 -0.80 0.00 0.00 34.13 29.82 1oq3 s GLU 7 CO -0.07 -0.01 0.08 -1.50 -1.33 0.00 0.00 175.26 172.43 1oq3 s ILE 8 N 1.11 4.33 -0.03 1.83 1.10 0.03 -4.97 121.20 124.61 1oq3 s ILE 8 Ca 0.32 -0.98 -0.01 0.00 -0.51 0.00 0.00 60.65 59.47 1oq3 s ILE 8 Cb -0.16 -3.14 0.02 0.00 0.15 0.00 0.00 42.46 39.33 1oq3 s ILE 8 CO 0.14 0.02 0.05 0.00 -2.11 0.00 0.00 174.94 173.03 1oq3 s ALA 9 N -1.53 -0.02 0.18 1.50 0.00 -1.26 -0.94 121.76 119.69 1oq3 s ALA 9 Ca 0.29 0.31 -0.19 0.00 0.00 0.00 0.00 51.96 52.38 1oq3 s ALA 9 Cb -0.11 -0.23 0.04 0.00 0.00 0.00 0.00 23.12 22.82 1oq3 s ALA 9 CO 0.21 -0.09 0.53 0.00 0.00 0.00 0.00 175.76 176.41 1oq3 s MET 10 N 0.81 1.33 0.28 0.00 0.23 -0.30 -4.95 119.30 116.71 1oq3 s MET 10 Ca -0.07 -0.76 -0.04 0.00 -1.03 0.00 0.00 55.69 53.79 1oq3 s MET 10 Cb -0.09 0.53 -0.05 0.00 -1.53 0.00 0.00 34.83 33.69 1oq3 s MET 10 CO -0.03 -0.56 0.53 -0.65 -2.03 0.00 0.00 175.02 172.29 1oq3 s GLN 11 N -3.84 3.62 0.32 3.16 1.11 -1.19 -0.91 119.66 121.94 1oq3 s GLN 11 Ca 0.06 -0.03 0.10 0.00 0.01 0.00 0.00 55.36 55.50 1oq3 s GLN 11 Cb -0.01 -2.67 -0.05 0.00 -1.01 0.00 0.00 33.01 29.27 1oq3 s GLN 11 CO -0.06 0.24 -0.06 0.08 0.01 0.00 0.00 175.29 175.50 1oq3 s VAL 12 N -2.05 2.60 0.01 1.09 1.01 -1.22 -0.93 120.40 120.91 1oq3 s VAL 12 Ca 0.43 -2.10 0.05 0.00 0.00 0.00 0.00 61.98 60.36 1oq3 s VAL 12 Cb -0.11 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 1oq3 s VAL 12 CO 0.30 -0.26 -0.16 -0.55 0.00 0.00 0.00 175.10 174.43 1oq3 s SER 13 N -3.65 1.90 0.00 3.32 0.15 0.12 -4.80 113.70 110.74 1oq3 s SER 13 Ca 0.33 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1oq3 s SER 13 Cb -0.01 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1oq3 s SER 13 CO 0.18 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.37 1oq3 n GLY 14 N 2.30 0.48 3.67 9.45 0.00 -1.26 -3.52 105.19 116.31 1oq3 n GLY 14 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.77 -0.05 -1.63 1.61 0.00 -1.26 -4.97 117.12 109.05 1oq3 n MET 15 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 57.70 57.75 1oq3 n MET 15 Cb 0.00 -2.39 0.08 0.00 0.00 0.00 0.00 33.22 30.90 1oq3 n MET 15 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1oq3 n THR 16 N -3.62 1.30 0.00 3.17 5.66 -1.26 -5.02 114.28 114.50 1oq3 n THR 16 Ca 0.13 -2.56 0.00 0.00 -3.05 0.00 0.00 64.05 58.57 1oq3 n THR 16 Cb 0.51 0.37 0.00 0.00 -1.55 0.00 0.00 70.33 69.66 1oq3 n THR 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1oq3 s ALA 18 N 0.00 0.59 -0.77 0.00 0.00 -1.26 -3.82 121.76 116.50 1oq3 s ALA 18 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1oq3 s ALA 18 Cb 0.00 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 18.49 1oq3 s ALA 18 CO 0.00 -6.34 0.00 0.00 0.00 0.00 0.00 175.76 169.42 1oq3 n ALA 19 N 19.12 -0.11 0.11 0.00 0.00 -1.26 -4.86 120.51 133.51 1oq3 n ALA 19 Ca 0.45 0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.95 1oq3 n ALA 19 Cb 0.45 -1.66 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 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 -1.48 1.45 0.10 0.00 0.00 -1.89 0.23 119.26 117.68 1oq3 h ALA 21 Ca -0.03 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1oq3 h ALA 21 Cb 0.25 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1oq3 h ALA 21 CO 0.06 0.23 -0.29 0.00 0.00 0.00 0.00 179.25 179.24 1oq3 h ALA 22 N 1.82 -0.48 -0.16 0.00 0.00 -1.93 0.78 119.26 119.29 1oq3 h ALA 22 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1oq3 h ALA 22 Cb 0.38 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1oq3 h ALA 22 CO 0.02 -0.82 0.07 0.00 0.00 0.00 0.00 179.25 178.52 1oq3 h ARG 23 N -0.49 0.23 -0.19 0.00 2.47 -0.49 0.95 114.38 116.85 1oq3 h ARG 23 Ca 0.04 -0.04 0.05 0.00 -1.26 0.00 0.00 59.98 58.77 1oq3 h ARG 23 Cb 0.53 -0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 28.74 1oq3 h ARG 23 CO -0.18 0.30 -0.41 0.82 0.56 0.00 0.00 179.97 181.06 1oq3 h ILE 24 N 0.11 0.16 -0.32 2.04 2.04 -0.89 -0.65 117.51 120.00 1oq3 h ILE 24 Ca 0.05 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.81 1oq3 h ILE 24 Cb 0.14 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1oq3 h ILE 24 CO -0.01 0.00 -0.20 -0.08 0.00 0.00 0.00 178.15 177.87 1oq3 h GLU 25 N -0.44 0.70 -1.02 2.37 4.22 -0.76 -2.55 114.58 117.10 1oq3 h GLU 25 Ca 0.09 -0.33 0.25 0.00 0.08 0.00 0.00 59.36 59.46 1oq3 h GLU 25 Cb 0.61 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.75 1oq3 h GLU 25 CO -0.43 0.93 0.65 0.87 -2.18 0.00 0.00 179.01 178.85 1oq3 h LYS 26 N 0.47 0.43 -0.29 1.92 1.79 -0.39 0.79 116.57 121.29 1oq3 h LYS 26 Ca 0.07 -0.03 0.07 0.00 -2.18 0.00 0.00 60.65 58.58 1oq3 h LYS 26 Cb 0.74 -0.10 -0.07 0.00 -1.58 0.00 0.00 32.23 31.23 1oq3 h LYS 26 CO 0.06 0.28 -0.17 0.78 -1.08 0.00 0.00 179.45 179.32 1oq3 h GLY 27 N 0.44 0.03 2.00 3.86 0.00 -0.70 -2.41 103.07 106.30 1oq3 h GLY 27 Ca 0.58 0.22 -0.07 0.00 0.00 0.00 0.00 47.33 48.05 1oq3 h GLY 27 CO -0.30 -0.17 -0.35 1.41 0.00 0.00 0.00 176.54 177.12 1oq3 h LEU 28 N -0.14 0.00 -1.31 3.11 3.38 0.45 -2.43 115.31 118.37 1oq3 h LEU 28 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1oq3 h LEU 28 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1oq3 h LEU 28 CO -0.37 0.35 0.00 0.50 0.09 0.00 0.00 178.44 179.01 1oq3 h LYS 29 N 0.00 0.00 0.00 1.13 3.64 0.07 0.21 116.57 121.63 1oq3 h LYS 29 Ca -0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1oq3 h LYS 29 Cb 0.69 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1oq3 h LYS 29 CO 0.05 0.00 -0.39 0.00 -2.27 0.00 0.00 179.45 176.83 1oq3 h ARG 30 N 0.00 0.00 -6.72 1.90 -0.00 -1.27 -3.47 114.38 104.82 1oq3 h ARG 30 Ca 0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.98 58.96 1oq3 h ARG 30 Cb 0.10 0.00 0.05 0.00 0.00 0.00 0.00 29.97 30.12 1oq3 h ARG 30 CO 0.00 0.39 0.71 -1.64 0.00 0.00 0.00 179.97 179.43 1oq3 s MET 31 N -3.46 4.32 -0.54 0.04 -1.94 0.74 -4.89 119.30 113.57 1oq3 s MET 31 Ca 0.01 2.20 -0.26 0.00 -1.71 0.00 0.00 55.69 55.92 1oq3 s MET 31 Cb 0.10 -3.14 -0.04 0.00 2.01 0.00 0.00 34.83 33.76 1oq3 s MET 31 CO 0.69 -0.34 2.09 -1.25 -0.01 0.00 0.00 175.02 176.20 1oq3 s PRO 32 N -0.28 2.46 0.00 2.03 0.04 -1.26 -1.80 135.00 136.19 1oq3 s PRO 32 Ca 0.58 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1oq3 s PRO 32 Cb -0.40 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 29.69 1oq3 s PRO 32 CO 0.41 -2.90 0.00 0.41 0.04 0.00 0.00 177.00 174.97 1oq3 n GLY 33 N 5.81 1.02 3.79 0.56 0.00 -1.26 -4.56 105.19 110.55 1oq3 n GLY 33 Ca 0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.24 3.55 0.02 1.61 0.11 -0.74 -0.36 120.40 124.34 1oq3 s VAL 34 Ca 0.00 0.73 -0.03 0.00 -2.93 0.00 0.00 61.98 59.75 1oq3 s VAL 34 Cb 0.00 -3.26 -0.01 0.00 -1.53 0.00 0.00 36.38 31.58 1oq3 s VAL 34 CO 0.00 -0.43 -0.07 0.35 -3.33 0.00 0.00 175.10 171.62 1oq3 n THR 35 N -2.17 1.01 -3.80 5.04 -2.24 0.23 -4.91 114.28 107.45 1oq3 n THR 35 Ca 0.10 0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 62.01 1oq3 n THR 35 Cb 0.52 -1.69 -0.07 0.00 -2.10 0.00 0.00 70.33 66.99 1oq3 n THR 35 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1oq3 s ASP 36 N -5.84 -0.01 -0.01 3.42 2.15 -1.14 -5.03 116.67 110.21 1oq3 s ASP 36 Ca -0.06 -0.42 0.00 0.00 0.43 0.00 0.00 52.55 52.50 1oq3 s ASP 36 Cb 0.01 0.35 0.01 0.00 -0.30 0.00 0.00 42.92 42.99 1oq3 s ASP 36 CO 0.09 -0.67 0.01 0.00 -0.17 0.00 0.00 175.17 174.42 1oq3 s ALA 37 N -3.21 0.06 -0.08 3.66 0.00 -1.26 -0.46 121.76 120.47 1oq3 s ALA 37 Ca -0.00 0.10 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 1oq3 s ALA 37 Cb 0.02 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.07 1oq3 s ALA 37 CO -0.07 -0.04 0.04 -0.80 0.00 0.00 0.00 175.76 174.89 1oq3 s ASN 38 N 0.41 1.63 0.24 0.00 0.01 0.10 -5.00 114.94 112.33 1oq3 s ASN 38 Ca -0.03 -0.16 -0.21 0.00 -0.71 0.00 0.00 52.86 51.74 1oq3 s ASN 38 Cb -0.05 -0.30 -0.09 0.00 0.41 0.00 0.00 41.25 41.22 1oq3 s ASN 38 CO -0.01 -0.25 0.78 0.54 -1.51 0.00 0.00 177.10 176.65 1oq3 s VAL 39 N 2.07 4.47 -0.40 1.60 0.11 -1.26 -1.17 120.40 125.82 1oq3 s VAL 39 Ca 0.04 1.44 0.10 0.00 -2.93 0.00 0.00 61.98 60.62 1oq3 s VAL 39 Cb -0.13 -3.91 0.31 0.00 -1.53 0.00 0.00 36.38 31.11 1oq3 s VAL 39 CO -0.05 0.22 0.66 -3.20 -3.33 0.00 0.00 175.10 169.40 1oq3 n ASN 40 N 0.75 0.96 0.21 3.54 5.15 0.72 -4.93 115.26 121.66 1oq3 n ASN 40 Ca -0.02 -2.95 0.15 0.00 -0.60 0.00 0.00 54.58 51.16 1oq3 n ASN 40 Cb 0.51 -0.63 0.70 0.00 -0.53 0.00 0.00 39.78 39.83 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 3.44 0.00 -2.32 1.20 3.38 -1.91 0.83 115.31 119.93 1oq3 h LEU 41 Ca 0.10 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1oq3 h LEU 41 Cb 0.89 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1oq3 h LEU 41 CO 0.52 0.00 0.15 0.00 0.09 0.00 0.00 178.44 179.20 1oq3 h ALA 42 N 2.08 1.68 -0.04 1.53 0.00 -1.92 -0.38 119.26 122.21 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 0.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1oq3 h ALA 42 CO 0.00 -0.21 0.00 2.41 0.00 0.00 0.00 179.25 181.45 1oq3 n THR 43 N -3.74 1.61 -3.54 0.00 -1.04 0.16 -4.99 114.28 102.75 1oq3 n THR 43 Ca 0.00 -1.78 -0.26 0.00 -2.04 0.00 0.00 64.05 59.98 1oq3 n THR 43 Cb 0.26 0.02 -0.01 0.00 -1.82 0.00 0.00 70.33 68.78 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 -0.96 -3.27 -4.08 -2.82 1.02 -0.15 -4.92 120.64 105.46 1oq3 n GLU 44 Ca 0.11 0.42 -0.10 0.00 -0.02 0.00 0.00 57.16 57.58 1oq3 n GLU 44 Cb 0.54 -5.13 -0.11 0.00 -0.02 0.00 0.00 31.44 26.72 1oq3 n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1oq3 s THR 45 N -2.97 0.39 0.04 2.62 2.01 -0.49 -3.42 115.64 113.82 1oq3 s THR 45 Ca 0.47 -1.46 0.02 0.00 0.31 0.00 0.00 61.69 61.03 1oq3 s THR 45 Cb -0.25 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 1oq3 s THR 45 CO 0.58 -0.71 -0.07 0.54 -0.69 0.00 0.00 174.62 174.27 1oq3 s VAL 46 N -2.67 0.49 0.13 3.82 0.11 -0.09 -0.20 120.40 122.00 1oq3 s VAL 46 Ca -0.01 -1.09 0.08 0.00 -2.93 0.00 0.00 61.98 58.03 1oq3 s VAL 46 Cb -0.01 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 1oq3 s VAL 46 CO -0.04 -0.41 -0.18 0.54 -3.33 0.00 0.00 175.10 171.67 1oq3 s ASN 47 N -1.62 2.48 -0.16 3.54 4.22 -0.31 -1.15 114.94 121.94 1oq3 s ASN 47 Ca -0.10 -0.78 -0.13 0.00 -2.14 0.00 0.00 52.86 49.71 1oq3 s ASN 47 Cb -0.09 -0.13 0.05 0.00 1.28 0.00 0.00 41.25 42.35 1oq3 s ASN 47 CO 0.00 -0.02 0.42 0.54 -2.04 0.00 0.00 177.10 176.00 1oq3 s VAL 48 N -1.71 -0.01 -0.34 3.54 0.11 -0.12 -0.72 120.40 121.16 1oq3 s VAL 48 Ca 0.10 0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 59.07 1oq3 s VAL 48 Cb -0.07 -0.60 -0.00 0.00 -1.53 0.00 0.00 36.38 34.17 1oq3 s VAL 48 CO 0.05 0.01 0.20 -0.63 -3.33 0.00 0.00 175.10 171.40 1oq3 s ILE 49 N 0.60 4.84 0.18 7.04 1.09 0.39 -0.79 121.20 134.56 1oq3 s ILE 49 Ca -0.03 -0.46 0.00 0.00 -1.10 0.00 0.00 60.65 59.06 1oq3 s ILE 49 Cb -0.05 -3.53 -0.04 0.00 -1.06 0.00 0.00 42.46 37.78 1oq3 s ILE 49 CO -0.04 -0.04 0.07 -0.72 -0.10 0.00 0.00 174.94 174.11 1oq3 s TYR 50 N 1.64 1.16 -0.34 3.97 -0.85 -0.56 -0.60 117.35 121.76 1oq3 s TYR 50 Ca 0.05 -1.21 -0.11 0.00 -0.52 0.00 0.00 57.07 55.27 1oq3 s TYR 50 Cb -0.18 -0.64 -0.00 0.00 0.38 0.00 0.00 41.96 41.53 1oq3 s TYR 50 CO 0.08 -0.44 0.20 0.34 -1.52 0.00 0.00 175.55 174.21 1oq3 s ASP 51 N -3.16 5.78 0.00 -0.18 -1.08 0.51 -1.06 116.67 117.48 1oq3 s ASP 51 Ca 0.31 -0.63 0.00 0.00 -0.52 0.00 0.00 52.55 51.71 1oq3 s ASP 51 Cb 0.07 -2.06 0.00 0.00 -1.46 0.00 0.00 42.92 39.47 1oq3 s ASP 51 CO 0.07 -0.27 0.45 -0.81 0.52 0.00 0.00 175.17 175.13 1oq3 n PRO 52 N 5.04 0.74 -0.08 4.34 -0.04 -1.12 -0.20 135.00 143.68 1oq3 n PRO 52 Ca -0.13 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.19 1oq3 n PRO 52 Cb 0.48 -1.29 -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 1.90 0.08 0.09 0.55 0.00 -1.94 -3.39 119.26 116.54 1oq3 h ALA 53 Ca 0.00 -0.65 -0.15 0.00 0.00 0.00 0.00 54.91 54.11 1oq3 h ALA 53 Cb 0.29 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1oq3 h ALA 53 CO 0.00 0.24 -0.71 0.93 0.00 0.00 0.00 179.25 179.71 1oq3 h GLU 54 N -1.00 0.19 -3.33 0.00 5.08 -1.83 -3.50 114.58 110.19 1oq3 h GLU 54 Ca -0.10 -0.33 -0.26 0.00 -1.00 0.00 0.00 59.36 57.67 1oq3 h GLU 54 Cb 0.94 0.12 -0.33 0.00 0.50 0.00 0.00 28.75 29.99 1oq3 h GLU 54 CO -0.06 1.16 -0.64 0.99 -1.00 0.00 0.00 179.01 179.45 1oq3 s THR 55 N -2.37 -0.06 0.00 1.13 2.01 0.73 -4.98 115.64 112.10 1oq3 s THR 55 Ca -0.17 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.03 1oq3 s THR 55 Cb 0.01 -0.19 0.00 0.00 0.01 0.00 0.00 72.50 72.32 1oq3 s THR 55 CO 0.77 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 175.39 1oq3 n GLY 56 N 4.25 1.59 0.17 4.40 0.00 -1.26 -2.81 105.19 111.52 1oq3 n GLY 56 Ca -0.26 -0.67 0.04 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 -0.20 -0.13 2.61 5.66 -1.26 -0.39 114.28 120.57 1oq3 n THR 57 Ca 0.00 1.06 -0.09 0.00 -3.05 0.00 0.00 64.05 61.98 1oq3 n THR 57 Cb 0.00 -1.50 -0.03 0.00 -1.55 0.00 0.00 70.33 67.25 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 0.94 -0.33 -0.12 1.79 0.00 -2.00 0.12 119.26 119.67 1oq3 h ALA 58 Ca 0.25 0.08 -0.21 0.00 0.00 0.00 0.00 54.91 55.03 1oq3 h ALA 58 Cb 0.44 0.83 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1oq3 h ALA 58 CO -0.47 -0.81 -0.77 0.00 0.00 0.00 0.00 179.25 177.20 1oq3 h ALA 59 N 0.57 0.42 0.56 0.00 0.00 -1.10 -3.33 119.26 116.37 1oq3 h ALA 59 Ca 0.16 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1oq3 h ALA 59 Cb 0.57 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1oq3 h ALA 59 CO -0.58 0.72 -0.27 0.82 0.00 0.00 0.00 179.25 179.94 1oq3 h ILE 60 N 0.44 0.38 -0.49 0.00 2.04 -0.25 -1.64 117.51 117.99 1oq3 h ILE 60 Ca -0.05 -0.26 0.09 0.00 1.00 0.00 0.00 64.86 65.65 1oq3 h ILE 60 Cb 1.38 0.48 -0.10 0.00 -0.74 0.00 0.00 36.82 37.84 1oq3 h ILE 60 CO 0.15 0.04 -0.29 1.56 0.00 0.00 0.00 178.15 179.60 1oq3 h GLN 61 N -0.92 -0.17 -0.87 2.37 7.50 -0.95 0.26 115.11 122.32 1oq3 h GLN 61 Ca -0.08 0.01 0.14 0.00 0.50 0.00 0.00 58.65 59.23 1oq3 h GLN 61 Cb 0.63 0.04 -0.15 0.00 0.05 0.00 0.00 27.48 28.05 1oq3 h GLN 61 CO 0.13 -0.12 -0.37 1.49 -1.50 0.00 0.00 178.83 178.46 1oq3 h GLU 62 N -0.18 -0.05 -0.22 1.46 4.22 -1.63 0.11 114.58 118.29 1oq3 h GLU 62 Ca 0.21 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.48 1oq3 h GLU 62 Cb 0.52 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1oq3 h GLU 62 CO -0.59 -0.03 -0.53 0.87 -2.18 0.00 0.00 179.01 176.55 1oq3 h LYS 63 N -0.05 0.75 -0.55 1.92 6.56 -0.06 -2.95 116.57 122.19 1oq3 h LYS 63 Ca 0.31 -0.51 0.09 0.00 -1.06 0.00 0.00 60.65 59.48 1oq3 h LYS 63 Cb 0.58 0.07 -0.07 0.00 -0.57 0.00 0.00 32.23 32.25 1oq3 h LYS 63 CO -0.90 1.13 0.17 0.82 -2.06 0.00 0.00 179.45 178.61 1oq3 h ILE 64 N 0.47 0.75 -0.83 1.86 1.08 0.62 0.33 117.51 121.79 1oq3 h ILE 64 Ca -0.00 -0.11 0.15 0.00 -0.39 0.00 0.00 64.86 64.50 1oq3 h ILE 64 Cb 1.14 0.39 -0.10 0.00 -3.07 0.00 0.00 36.82 35.19 1oq3 h ILE 64 CO 0.12 0.06 0.41 -0.33 -0.69 0.00 0.00 178.15 177.71 1oq3 h GLU 65 N 0.33 0.56 -0.24 2.37 4.39 -0.71 -1.60 114.58 119.67 1oq3 h GLU 65 Ca 0.28 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.79 1oq3 h GLU 65 Cb 0.35 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1oq3 h GLU 65 CO -0.31 0.37 -0.49 -0.22 -1.16 0.00 0.00 179.01 177.19 1oq3 h LYS 66 N 0.58 0.66 0.00 2.33 1.63 -0.37 -0.97 116.57 120.43 1oq3 h LYS 66 Ca 0.46 -0.39 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1oq3 h LYS 66 Cb 0.67 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.34 1oq3 h LYS 66 CO -0.38 1.00 0.20 -0.07 -3.45 0.00 0.00 179.45 176.75 1oq3 h LEU 67 N 0.52 0.00 0.00 5.20 -0.00 0.41 -3.45 115.31 117.98 1oq3 h LEU 67 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1oq3 h LEU 67 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 1oq3 h LEU 67 CO 0.10 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.15 1oq3 n GLY 68 N -1.16 1.32 3.28 0.83 0.00 -0.37 -5.04 105.19 104.05 1oq3 n GLY 68 Ca -0.02 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 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 1.40 -0.14 1.61 1.51 -0.95 -5.03 117.35 113.75 1oq3 s TYR 69 Ca 0.00 -1.23 0.02 0.00 -1.01 0.00 0.00 57.07 54.85 1oq3 s TYR 69 Cb 0.00 -0.79 0.01 0.00 -0.11 0.00 0.00 41.96 41.08 1oq3 s TYR 69 CO 0.00 -0.41 -0.20 -3.38 -1.11 0.00 0.00 175.55 170.45 1oq3 s HIS 70 N -3.86 2.50 0.28 2.71 -3.43 -1.23 -2.91 115.29 109.34 1oq3 s HIS 70 Ca 0.37 -1.30 -0.06 0.00 -0.80 0.00 0.00 55.06 53.27 1oq3 s HIS 70 Cb 0.07 -1.73 -0.06 0.00 -1.43 0.00 0.00 32.58 29.44 1oq3 s HIS 70 CO 0.12 -0.62 0.56 0.54 -2.00 0.00 0.00 174.74 173.34 1oq3 s VAL 71 N 0.99 4.99 -0.29 -5.38 0.11 -1.26 -0.70 120.40 118.86 1oq3 s VAL 71 Ca -0.04 0.20 0.01 0.00 -2.93 0.00 0.00 61.98 59.22 1oq3 s VAL 71 Cb -0.15 -3.70 0.08 0.00 -1.53 0.00 0.00 36.38 31.09 1oq3 s VAL 71 CO -0.04 -0.26 0.02 0.68 -3.33 0.00 0.00 175.10 172.17 1oq3 s VAL 72 N -2.02 1.57 -0.69 2.04 -7.23 -0.11 -4.93 120.40 109.04 1oq3 s VAL 72 Ca 0.45 -1.61 -0.08 0.00 -1.81 0.00 0.00 61.98 58.94 1oq3 s VAL 72 Cb -0.11 -2.03 0.18 0.00 0.56 0.00 0.00 36.38 34.99 1oq3 s VAL 72 CO 0.28 -0.42 0.55 -0.63 -0.31 0.00 0.00 175.10 174.57 1oq3 s ILE 73 N 1.31 4.47 -0.19 -0.62 1.01 -1.26 -3.15 121.20 122.76 1oq3 s ILE 73 Ca 0.04 -2.67 -0.05 0.00 0.00 0.00 0.00 60.65 57.97 1oq3 s ILE 73 Cb -0.18 -3.84 0.10 0.00 0.01 0.00 0.00 42.46 38.54 1oq3 s ILE 73 CO -0.12 -0.92 0.34 -0.70 0.00 0.00 0.00 174.94 173.53 1oq3 s GLU 74 N 0.15 0.26 0.00 2.79 2.56 -1.26 -5.06 118.70 118.15 1oq3 s GLU 74 Ca 0.16 0.69 0.00 0.00 0.00 0.00 0.00 54.97 55.82 1oq3 s GLU 74 Cb -0.17 -0.22 0.00 0.00 2.00 0.00 0.00 34.13 35.74 1oq3 s GLU 74 CO -0.05 -0.43 0.00 0.41 -0.56 0.00 0.00 175.26 174.62 1oq3 n GLY 75 N 5.36 -1.64 0.89 -1.50 0.00 -1.26 -5.03 105.19 102.00 1oq3 n GLY 75 Ca -0.06 0.59 0.11 0.00 0.00 0.00 0.00 46.02 46.66 1oq3 n GLY 75 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36