#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 -0.77 0.31 4.03 2.96 -1.26 -5.16 118.68 118.80 1oq3 s LEU 2 Ca 0.00 1.06 -0.16 0.00 -0.22 0.00 0.00 54.13 54.81 1oq3 s LEU 2 Cb 0.00 1.88 -0.09 0.00 0.50 0.00 0.00 46.19 48.48 1oq3 s LEU 2 CO 0.00 -0.15 0.75 -0.94 -1.32 0.00 0.00 176.35 174.69 1oq3 s SER 3 N 2.59 6.83 -0.07 3.68 1.04 -1.26 -5.10 113.70 121.41 1oq3 s SER 3 Ca -0.04 1.33 -0.07 0.00 0.48 0.00 0.00 55.95 57.65 1oq3 s SER 3 Cb -0.08 -2.39 0.02 0.00 0.10 0.00 0.00 66.02 63.67 1oq3 s SER 3 CO -0.18 -0.17 0.20 -0.70 0.98 0.00 0.00 173.24 173.37 1oq3 s GLU 4 N -2.83 0.23 0.41 4.02 2.12 -1.26 -5.18 118.70 116.22 1oq3 s GLU 4 Ca 0.53 0.28 0.08 0.00 0.36 0.00 0.00 54.97 56.21 1oq3 s GLU 4 Cb -0.11 0.11 -0.03 0.00 0.26 0.00 0.00 34.13 34.36 1oq3 s GLU 4 CO 0.18 -0.03 0.28 1.14 -0.54 0.00 0.00 175.26 176.29 1oq3 s GLN 5 N 0.10 2.40 0.12 4.30 -2.07 -1.26 -4.46 119.66 118.80 1oq3 s GLN 5 Ca -0.00 -1.66 -0.10 0.00 -1.82 0.00 0.00 55.36 51.78 1oq3 s GLN 5 Cb -0.01 -2.21 -0.00 0.00 -1.09 0.00 0.00 33.01 29.70 1oq3 s GLN 5 CO 0.00 -0.14 0.25 0.15 -1.32 0.00 0.00 175.29 174.23 1oq3 s LYS 6 N -4.02 0.99 0.35 9.60 1.02 -0.26 -4.99 119.74 122.43 1oq3 s LYS 6 Ca 0.45 -1.02 -0.23 0.00 0.02 0.00 0.00 55.97 55.20 1oq3 s LYS 6 Cb -0.00 0.37 -0.10 0.00 -0.52 0.00 0.00 37.83 37.58 1oq3 s LYS 6 CO 0.25 -0.35 0.90 -1.83 -0.92 0.00 0.00 175.35 173.41 1oq3 s GLU 7 N -3.90 4.37 0.12 1.68 4.04 -1.26 -0.91 118.70 122.85 1oq3 s GLU 7 Ca 0.09 1.14 0.04 0.00 0.04 0.00 0.00 54.97 56.29 1oq3 s GLU 7 Cb 0.04 -2.55 -0.04 0.00 0.02 0.00 0.00 34.13 31.60 1oq3 s GLU 7 CO -0.07 0.17 -0.10 -1.50 -1.84 0.00 0.00 175.26 171.92 1oq3 s ILE 8 N -1.84 1.07 -0.02 1.83 1.10 0.19 -4.96 121.20 118.56 1oq3 s ILE 8 Ca 0.54 -1.89 -0.04 0.00 -0.51 0.00 0.00 60.65 58.76 1oq3 s ILE 8 Cb -0.14 -1.65 0.00 0.00 0.15 0.00 0.00 42.46 40.82 1oq3 s ILE 8 CO 0.19 -0.67 0.09 0.00 -2.11 0.00 0.00 174.94 172.43 1oq3 s ALA 9 N -2.97 -0.20 0.27 1.50 0.00 -1.26 -1.16 121.76 117.94 1oq3 s ALA 9 Ca 0.12 0.03 -0.19 0.00 0.00 0.00 0.00 51.96 51.92 1oq3 s ALA 9 Cb 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.10 1oq3 s ALA 9 CO 0.00 -0.10 0.66 0.00 0.00 0.00 0.00 175.76 176.31 1oq3 s MET 10 N -0.55 1.72 0.35 0.00 0.23 -0.32 -4.99 119.30 115.74 1oq3 s MET 10 Ca -0.06 -1.05 -0.08 0.00 -1.03 0.00 0.00 55.69 53.47 1oq3 s MET 10 Cb -0.04 0.57 -0.06 0.00 -1.53 0.00 0.00 34.83 33.78 1oq3 s MET 10 CO 0.00 -0.77 0.67 -0.65 -2.03 0.00 0.00 175.02 172.24 1oq3 s GLN 11 N -3.94 3.70 0.28 3.16 1.11 -1.21 -0.79 119.66 121.97 1oq3 s GLN 11 Ca 0.14 0.24 0.10 0.00 0.01 0.00 0.00 55.36 55.85 1oq3 s GLN 11 Cb -0.05 -2.51 -0.05 0.00 -1.01 0.00 0.00 33.01 29.40 1oq3 s GLN 11 CO 0.07 0.07 -0.09 0.08 0.01 0.00 0.00 175.29 175.44 1oq3 s VAL 12 N -2.26 2.89 -0.05 1.09 1.01 -1.08 -1.14 120.40 120.87 1oq3 s VAL 12 Ca 0.48 -2.14 0.04 0.00 0.00 0.00 0.00 61.98 60.36 1oq3 s VAL 12 Cb -0.10 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.67 1oq3 s VAL 12 CO 0.31 -0.35 -0.16 -0.55 0.00 0.00 0.00 175.10 174.35 1oq3 s SER 13 N -3.61 2.05 0.00 3.32 0.15 0.57 -4.82 113.70 111.36 1oq3 s SER 13 Ca 0.31 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1oq3 s SER 13 Cb -0.05 -0.70 0.00 0.00 -1.71 0.00 0.00 66.02 63.56 1oq3 s SER 13 CO 0.18 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.34 1oq3 n GLY 14 N 3.37 2.16 3.55 9.45 0.00 -1.26 -2.90 105.19 119.56 1oq3 n GLY 14 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.43 1.04 -2.50 1.61 0.00 -1.26 -4.96 117.12 110.63 1oq3 n MET 15 Ca 0.00 0.37 -0.05 0.00 0.00 0.00 0.00 57.70 58.02 1oq3 n MET 15 Cb 0.00 -1.76 0.04 0.00 0.00 0.00 0.00 33.22 31.51 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 -0.33 1.50 -3.04 3.17 -2.24 -1.26 -5.02 114.28 107.06 1oq3 n THR 16 Ca 0.11 -3.10 0.00 0.00 -2.27 0.00 0.00 64.05 58.79 1oq3 n THR 16 Cb 0.36 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 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 6.81 -2.28 -1.06 0.00 0.00 -1.26 -0.20 120.51 122.53 1oq3 n ALA 18 Ca 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 53.44 52.93 1oq3 n ALA 18 Cb 0.00 -1.72 -0.01 0.00 0.00 0.00 0.00 19.45 17.72 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 -4.62 -0.03 0.18 0.00 0.00 -1.26 -4.86 120.51 109.92 1oq3 n ALA 19 Ca -0.18 0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.21 1oq3 n ALA 19 Cb 0.57 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.17 1.68 -0.24 0.00 0.00 -1.89 0.74 119.26 118.38 1oq3 h ALA 21 Ca -0.05 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1oq3 h ALA 21 Cb 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1oq3 h ALA 21 CO 0.09 0.17 0.15 0.00 0.00 0.00 0.00 179.25 179.66 1oq3 h ALA 22 N 1.58 0.30 -0.47 0.00 0.00 -1.90 -1.89 119.26 116.87 1oq3 h ALA 22 Ca 0.36 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.35 1oq3 h ALA 22 Cb 0.35 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1oq3 h ALA 22 CO -0.14 -0.24 0.03 0.00 0.00 0.00 0.00 179.25 178.90 1oq3 h ARG 23 N 0.31 0.14 -0.08 0.00 2.47 0.13 0.10 114.38 117.46 1oq3 h ARG 23 Ca 0.09 -0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.82 1oq3 h ARG 23 Cb -0.02 -0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.21 1oq3 h ARG 23 CO -0.03 0.09 -0.48 0.82 0.56 0.00 0.00 179.97 180.93 1oq3 h ILE 24 N 0.15 0.00 -0.15 2.04 2.04 -0.62 0.82 117.51 121.77 1oq3 h ILE 24 Ca 0.24 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.94 1oq3 h ILE 24 Cb 0.34 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1oq3 h ILE 24 CO -0.37 0.00 -0.55 -0.08 0.00 0.00 0.00 178.15 177.15 1oq3 h GLU 25 N -0.55 0.46 -0.91 2.37 4.57 -1.14 -1.37 114.58 118.01 1oq3 h GLU 25 Ca 0.02 -0.29 0.13 0.00 -1.18 0.00 0.00 59.36 58.04 1oq3 h GLU 25 Cb 0.62 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.17 1oq3 h GLU 25 CO -0.37 0.89 0.59 0.87 -1.18 0.00 0.00 179.01 179.81 1oq3 h LYS 26 N 0.35 0.77 -0.34 1.92 1.79 -0.52 0.24 116.57 120.78 1oq3 h LYS 26 Ca 0.01 -0.05 0.07 0.00 -2.18 0.00 0.00 60.65 58.50 1oq3 h LYS 26 Cb 1.07 -0.17 -0.08 0.00 -1.58 0.00 0.00 32.23 31.47 1oq3 h LYS 26 CO 0.10 0.51 -0.17 0.78 -1.08 0.00 0.00 179.45 179.59 1oq3 h GLY 27 N 0.80 0.08 2.00 3.86 0.00 0.31 -1.68 103.07 108.44 1oq3 h GLY 27 Ca 0.45 0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.95 1oq3 h GLY 27 CO -0.21 -0.18 -0.24 1.41 0.00 0.00 0.00 176.54 177.32 1oq3 h LEU 28 N -0.12 0.00 -2.05 3.11 3.38 -0.41 -0.94 115.31 118.28 1oq3 h LEU 28 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1oq3 h LEU 28 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1oq3 h LEU 28 CO -0.42 0.24 0.00 0.50 0.09 0.00 0.00 178.44 178.85 1oq3 h LYS 29 N 0.00 0.00 0.00 1.13 1.63 0.25 0.20 116.57 119.78 1oq3 h LYS 29 Ca -0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1oq3 h LYS 29 Cb 0.42 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1oq3 h LYS 29 CO 0.03 0.00 -0.15 -0.09 -3.45 0.00 0.00 179.45 175.79 1oq3 h ARG 30 N 0.00 0.00 -6.65 1.90 9.65 -0.90 -3.46 114.38 114.92 1oq3 h ARG 30 Ca 0.00 0.00 -0.53 0.00 -1.10 0.00 0.00 59.98 58.35 1oq3 h ARG 30 Cb 0.14 0.00 0.03 0.00 -1.39 0.00 0.00 29.97 28.75 1oq3 h ARG 30 CO 0.00 0.15 0.68 -1.64 2.80 0.00 0.00 179.97 181.96 1oq3 s MET 31 N -3.76 4.36 -0.60 0.20 -1.94 0.70 -4.91 119.30 113.34 1oq3 s MET 31 Ca -0.00 2.08 -0.26 0.00 -1.71 0.00 0.00 55.69 55.80 1oq3 s MET 31 Cb 0.10 -3.20 -0.02 0.00 2.01 0.00 0.00 34.83 33.72 1oq3 s MET 31 CO 0.60 -0.32 1.89 -1.25 -0.01 0.00 0.00 175.02 175.93 1oq3 s PRO 32 N 0.21 2.60 0.00 2.03 0.04 -1.26 -2.32 135.00 136.30 1oq3 s PRO 32 Ca 0.59 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1oq3 s PRO 32 Cb -0.37 -4.40 0.00 0.00 0.04 0.00 0.00 34.50 29.77 1oq3 s PRO 32 CO 0.36 -2.76 0.00 0.41 0.04 0.00 0.00 177.00 175.06 1oq3 n GLY 33 N 5.71 0.96 3.76 0.56 0.00 -1.26 -4.57 105.19 110.35 1oq3 n GLY 33 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 2.92 -0.01 1.61 0.11 -0.98 -0.49 120.40 123.57 1oq3 s VAL 34 Ca 0.00 0.47 -0.06 0.00 -2.93 0.00 0.00 61.98 59.45 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 -0.23 -0.12 0.41 -3.33 0.00 0.00 175.10 171.83 1oq3 n THR 35 N -2.29 1.20 -3.82 5.04 -1.04 0.20 -4.90 114.28 108.67 1oq3 n THR 35 Ca 0.12 0.29 -0.11 0.00 -2.04 0.00 0.00 64.05 62.31 1oq3 n THR 35 Cb 0.51 -1.81 -0.09 0.00 -1.82 0.00 0.00 70.33 67.13 1oq3 n THR 35 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1oq3 s ASP 36 N -5.82 -0.03 -0.03 8.00 1.01 -1.17 -5.02 116.67 113.62 1oq3 s ASP 36 Ca -0.10 -0.23 0.02 0.00 0.71 0.00 0.00 52.55 52.96 1oq3 s ASP 36 Cb 0.01 0.28 0.00 0.00 1.01 0.00 0.00 42.92 44.23 1oq3 s ASP 36 CO 0.15 -0.51 -0.09 0.00 0.21 0.00 0.00 175.17 174.93 1oq3 s ALA 37 N -2.09 0.87 -0.10 5.23 0.00 -1.26 -0.37 121.76 124.04 1oq3 s ALA 37 Ca -0.09 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 51.51 1oq3 s ALA 37 Cb -0.03 -0.34 0.05 0.00 0.00 0.00 0.00 23.12 22.80 1oq3 s ALA 37 CO -0.01 0.13 0.20 -0.80 0.00 0.00 0.00 175.76 175.28 1oq3 s ASN 38 N 0.25 0.47 -0.10 0.00 0.01 0.23 -4.97 114.94 110.82 1oq3 s ASN 38 Ca -0.04 0.42 -0.10 0.00 -0.71 0.00 0.00 52.86 52.43 1oq3 s ASN 38 Cb -0.09 0.41 -0.05 0.00 0.41 0.00 0.00 41.25 41.93 1oq3 s ASN 38 CO 0.01 -0.23 0.23 0.54 -1.51 0.00 0.00 177.10 176.13 1oq3 s VAL 39 N 2.15 5.35 -0.56 1.60 0.11 -1.26 -0.80 120.40 126.99 1oq3 s VAL 39 Ca 0.00 0.41 0.07 0.00 -2.93 0.00 0.00 61.98 59.53 1oq3 s VAL 39 Cb -0.12 -3.52 0.25 0.00 -1.53 0.00 0.00 36.38 31.47 1oq3 s VAL 39 CO -0.07 0.56 0.68 -3.20 -3.33 0.00 0.00 175.10 169.74 1oq3 n ASN 40 N 2.32 2.65 0.25 3.54 5.15 0.11 -4.92 115.26 124.36 1oq3 n ASN 40 Ca -0.17 -3.22 0.17 0.00 -0.60 0.00 0.00 54.58 50.76 1oq3 n ASN 40 Cb 0.54 -0.66 0.80 0.00 -0.53 0.00 0.00 39.78 39.93 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 4.09 0.00 -0.00 1.20 3.38 -1.92 0.42 115.31 122.48 1oq3 h LEU 41 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1oq3 h LEU 41 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1oq3 h LEU 41 CO 0.72 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.25 1oq3 n ALA 42 N -1.97 1.06 -1.63 1.53 0.00 -1.26 -1.43 120.51 116.81 1oq3 n ALA 42 Ca -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.44 1oq3 n ALA 42 Cb 0.17 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.60 1oq3 n ALA 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1oq3 n THR 43 N -1.50 0.15 -2.54 0.00 -1.04 0.02 -5.00 114.28 104.37 1oq3 n THR 43 Ca 0.00 -0.18 -0.13 0.00 -2.04 0.00 0.00 64.05 61.71 1oq3 n THR 43 Cb 0.02 0.58 -0.00 0.00 -1.82 0.00 0.00 70.33 69.10 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 -0.11 -2.41 -4.24 -2.82 4.71 -0.52 -4.92 120.64 110.33 1oq3 n GLU 44 Ca 0.01 0.57 -0.19 0.00 -0.01 0.00 0.00 57.16 57.54 1oq3 n GLU 44 Cb 0.63 -5.18 -0.11 0.00 -1.01 0.00 0.00 31.44 25.77 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 -2.63 1.36 0.03 2.62 2.01 -0.49 -2.63 115.64 115.91 1oq3 s THR 45 Ca 0.04 -1.66 0.03 0.00 0.31 0.00 0.00 61.69 60.41 1oq3 s THR 45 Cb -0.02 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 1oq3 s THR 45 CO 0.05 -0.36 -0.08 0.54 -0.69 0.00 0.00 174.62 174.08 1oq3 s VAL 46 N -1.94 0.61 0.14 3.82 0.11 0.03 0.07 120.40 123.24 1oq3 s VAL 46 Ca 0.08 -0.91 0.10 0.00 -2.93 0.00 0.00 61.98 58.32 1oq3 s VAL 46 Cb -0.06 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 1oq3 s VAL 46 CO 0.03 -0.23 -0.23 0.54 -3.33 0.00 0.00 175.10 171.89 1oq3 s ASN 47 N -1.24 2.99 -0.15 3.54 4.22 0.02 -1.18 114.94 123.13 1oq3 s ASN 47 Ca -0.06 -0.77 -0.14 0.00 -2.14 0.00 0.00 52.86 49.75 1oq3 s ASN 47 Cb -0.08 -0.19 0.04 0.00 1.28 0.00 0.00 41.25 42.30 1oq3 s ASN 47 CO 0.00 0.09 0.41 0.54 -2.04 0.00 0.00 177.10 176.11 1oq3 s VAL 48 N -1.38 0.00 -0.22 3.54 0.11 -0.30 -0.60 120.40 121.54 1oq3 s VAL 48 Ca 0.13 -0.01 -0.08 0.00 -2.93 0.00 0.00 61.98 59.09 1oq3 s VAL 48 Cb -0.09 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 1oq3 s VAL 48 CO 0.06 -0.00 0.09 -0.63 -3.33 0.00 0.00 175.10 171.29 1oq3 s ILE 49 N 0.19 4.79 0.18 7.04 1.09 0.50 -0.64 121.20 134.34 1oq3 s ILE 49 Ca -0.00 -0.02 -0.10 0.00 -1.10 0.00 0.00 60.65 59.43 1oq3 s ILE 49 Cb -0.03 -3.21 -0.01 0.00 -1.06 0.00 0.00 42.46 38.15 1oq3 s ILE 49 CO 0.01 0.38 0.32 -0.72 -0.10 0.00 0.00 174.94 174.83 1oq3 s TYR 50 N 1.03 0.38 -0.41 3.97 -0.85 -0.08 -0.63 117.35 120.77 1oq3 s TYR 50 Ca 0.05 -0.74 -0.16 0.00 -0.52 0.00 0.00 57.07 55.70 1oq3 s TYR 50 Cb -0.14 -0.01 0.02 0.00 0.38 0.00 0.00 41.96 42.21 1oq3 s TYR 50 CO 0.03 -0.77 0.38 0.34 -1.52 0.00 0.00 175.55 174.01 1oq3 s ASP 51 N -2.97 6.16 0.00 -0.18 -1.08 0.36 -1.11 116.67 117.85 1oq3 s ASP 51 Ca 0.18 -0.69 0.00 0.00 -0.52 0.00 0.00 52.55 51.52 1oq3 s ASP 51 Cb 0.03 -2.20 0.00 0.00 -1.46 0.00 0.00 42.92 39.29 1oq3 s ASP 51 CO 0.01 -0.50 0.51 -0.81 0.52 0.00 0.00 175.17 174.91 1oq3 n PRO 52 N 5.41 0.61 -0.08 4.34 -0.04 -1.09 -0.18 135.00 143.98 1oq3 n PRO 52 Ca -0.09 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.23 1oq3 n PRO 52 Cb 0.48 -1.10 -0.11 0.00 -0.04 0.00 0.00 33.50 32.72 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 2.03 0.06 0.05 0.55 0.00 -1.93 -3.38 119.26 116.62 1oq3 h ALA 53 Ca 0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 54.91 54.22 1oq3 h ALA 53 Cb 0.10 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1oq3 h ALA 53 CO 0.00 0.17 -0.39 0.93 0.00 0.00 0.00 179.25 179.95 1oq3 h GLU 54 N -1.00 0.11 -3.21 0.00 4.39 -1.84 -3.49 114.58 109.53 1oq3 h GLU 54 Ca -0.07 -0.18 -0.27 0.00 0.34 0.00 0.00 59.36 59.17 1oq3 h GLU 54 Cb 0.95 0.07 -0.34 0.00 -0.10 0.00 0.00 28.75 29.33 1oq3 h GLU 54 CO -0.05 1.09 -0.63 0.99 -1.16 0.00 0.00 179.01 179.25 1oq3 s THR 55 N -2.31 -0.13 0.00 1.13 2.01 0.75 -4.97 115.64 112.12 1oq3 s THR 55 Ca -0.18 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1oq3 s THR 55 Cb -0.01 -0.25 0.00 0.00 0.01 0.00 0.00 72.50 72.26 1oq3 s THR 55 CO 0.73 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 175.38 1oq3 n GLY 56 N 4.69 2.16 0.17 4.40 0.00 -1.26 -2.69 105.19 112.66 1oq3 n GLY 56 Ca -0.17 -0.69 0.03 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.34 114.28 120.62 1oq3 n THR 57 Ca 0.00 1.08 -0.09 0.00 -3.05 0.00 0.00 64.05 61.99 1oq3 n THR 57 Cb 0.00 -1.50 -0.04 0.00 -1.55 0.00 0.00 70.33 67.24 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 -0.37 -0.12 1.79 0.00 -2.00 0.90 119.26 120.40 1oq3 h ALA 58 Ca 0.23 0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.99 1oq3 h ALA 58 Cb 0.34 0.86 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1oq3 h ALA 58 CO -0.49 -0.84 -0.79 0.00 0.00 0.00 0.00 179.25 177.14 1oq3 h ALA 59 N 0.50 0.38 0.53 0.00 0.00 -1.06 -3.33 119.26 116.28 1oq3 h ALA 59 Ca 0.15 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1oq3 h ALA 59 Cb 0.58 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1oq3 h ALA 59 CO -0.58 0.71 -0.26 0.82 0.00 0.00 0.00 179.25 179.95 1oq3 h ILE 60 N 0.45 0.42 -0.48 0.00 2.04 -0.37 -1.68 117.51 117.90 1oq3 h ILE 60 Ca -0.05 -0.25 0.09 0.00 1.00 0.00 0.00 64.86 65.65 1oq3 h ILE 60 Cb 1.41 0.52 -0.10 0.00 -0.74 0.00 0.00 36.82 37.91 1oq3 h ILE 60 CO 0.15 0.04 -0.26 1.56 0.00 0.00 0.00 178.15 179.65 1oq3 h GLN 61 N -0.88 -0.15 -0.75 2.37 7.50 -1.01 0.25 115.11 122.44 1oq3 h GLN 61 Ca -0.07 0.01 0.14 0.00 0.50 0.00 0.00 58.65 59.23 1oq3 h GLN 61 Cb 0.61 0.03 -0.14 0.00 0.05 0.00 0.00 27.48 28.03 1oq3 h GLN 61 CO 0.12 -0.10 -0.27 1.49 -1.50 0.00 0.00 178.83 178.57 1oq3 h GLU 62 N -0.15 -0.05 -0.21 1.46 4.22 -1.62 0.80 114.58 119.02 1oq3 h GLU 62 Ca 0.22 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.54 1oq3 h GLU 62 Cb 0.50 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1oq3 h GLU 62 CO -0.57 -0.04 -0.33 0.87 -2.18 0.00 0.00 179.01 176.77 1oq3 h LYS 63 N -0.05 0.60 -0.65 1.92 6.56 -0.18 -3.14 116.57 121.62 1oq3 h LYS 63 Ca 0.33 -0.36 0.11 0.00 -1.06 0.00 0.00 60.65 59.67 1oq3 h LYS 63 Cb 0.57 0.03 -0.08 0.00 -0.57 0.00 0.00 32.23 32.18 1oq3 h LYS 63 CO -0.80 0.97 0.22 0.82 -2.06 0.00 0.00 179.45 178.60 1oq3 h ILE 64 N 0.28 0.70 -0.52 1.86 1.08 0.77 0.25 117.51 121.93 1oq3 h ILE 64 Ca 0.02 -0.13 0.11 0.00 -0.39 0.00 0.00 64.86 64.46 1oq3 h ILE 64 Cb 0.91 0.29 -0.09 0.00 -3.07 0.00 0.00 36.82 34.85 1oq3 h ILE 64 CO 0.08 0.07 -0.06 -0.33 -0.69 0.00 0.00 178.15 177.21 1oq3 h GLU 65 N 0.38 0.05 -0.02 2.37 4.39 -0.85 -1.91 114.58 119.00 1oq3 h GLU 65 Ca 0.34 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.92 1oq3 h GLU 65 Cb 0.48 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1oq3 h GLU 65 CO -0.36 0.04 -0.54 -0.22 -1.16 0.00 0.00 179.01 176.77 1oq3 h LYS 66 N 0.06 0.06 -0.05 2.33 3.64 -0.70 0.14 116.57 122.04 1oq3 h LYS 66 Ca 0.26 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1oq3 h LYS 66 Cb 0.40 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1oq3 h LYS 66 CO -0.49 0.58 0.25 -0.07 -2.27 0.00 0.00 179.45 177.45 1oq3 h LEU 67 N 0.05 0.00 0.00 5.20 -0.00 0.14 -3.45 115.31 117.24 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 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.62 1oq3 h LEU 67 CO 0.07 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.12 1oq3 n GLY 68 N -1.22 1.52 3.23 0.83 0.00 0.03 -4.99 105.19 104.59 1oq3 n GLY 68 Ca -0.01 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 1.23 -0.15 1.61 1.51 -0.98 -5.03 117.35 113.54 1oq3 s TYR 69 Ca 0.00 -1.24 0.02 0.00 -1.01 0.00 0.00 57.07 54.84 1oq3 s TYR 69 Cb 0.00 -0.67 0.01 0.00 -0.11 0.00 0.00 41.96 41.19 1oq3 s TYR 69 CO 0.00 -0.46 -0.21 -3.38 -1.11 0.00 0.00 175.55 170.40 1oq3 s HIS 70 N -3.93 2.67 0.27 2.71 -3.43 -1.14 -3.14 115.29 109.29 1oq3 s HIS 70 Ca 0.34 -1.44 -0.07 0.00 -0.80 0.00 0.00 55.06 53.09 1oq3 s HIS 70 Cb 0.07 -1.83 -0.06 0.00 -1.43 0.00 0.00 32.58 29.33 1oq3 s HIS 70 CO 0.09 -0.68 0.55 0.54 -2.00 0.00 0.00 174.74 173.25 1oq3 s VAL 71 N 1.01 4.99 -0.38 -5.38 0.11 -1.26 -0.31 120.40 119.17 1oq3 s VAL 71 Ca -0.02 0.21 0.03 0.00 -2.93 0.00 0.00 61.98 59.27 1oq3 s VAL 71 Cb -0.15 -3.69 0.11 0.00 -1.53 0.00 0.00 36.38 31.12 1oq3 s VAL 71 CO -0.06 -0.24 0.13 0.68 -3.33 0.00 0.00 175.10 172.28 1oq3 s VAL 72 N -2.00 1.91 -0.74 2.04 -7.23 -0.29 -4.92 120.40 109.17 1oq3 s VAL 72 Ca 0.45 -2.36 -0.17 0.00 -1.81 0.00 0.00 61.98 58.09 1oq3 s VAL 72 Cb -0.11 -2.39 0.15 0.00 0.56 0.00 0.00 36.38 34.60 1oq3 s VAL 72 CO 0.27 -0.70 0.80 -0.63 -0.31 0.00 0.00 175.10 174.54 1oq3 s ILE 73 N 0.75 5.10 0.20 -0.62 1.01 -1.26 -3.34 121.20 123.03 1oq3 s ILE 73 Ca 0.13 -1.67 -0.12 0.00 0.00 0.00 0.00 60.65 58.99 1oq3 s ILE 73 Cb -0.21 -4.54 -0.00 0.00 0.01 0.00 0.00 42.46 37.73 1oq3 s ILE 73 CO -0.09 -1.16 0.39 -1.83 0.00 0.00 0.00 174.94 172.25 1oq3 s GLU 74 N 1.73 1.33 0.91 2.79 -1.05 -1.26 -5.05 118.70 118.10 1oq3 s GLU 74 Ca 0.18 -1.15 0.00 0.00 -0.15 0.00 0.00 54.97 53.85 1oq3 s GLU 74 Cb -0.16 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 33.97 1oq3 s GLU 74 CO -0.03 -0.53 0.00 0.41 0.95 0.00 0.00 175.26 176.06 1oq3 n GLY 75 N -0.30 1.62 0.00 -3.83 0.00 -1.26 -4.98 105.19 96.44 1oq3 n GLY 75 Ca -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1oq3 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86