#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 -0.10 0.30 3.17 1.43 -1.26 -5.16 118.68 117.06 1oq3 s LEU 2 Ca 0.00 0.13 -0.23 0.00 -1.03 0.00 0.00 54.13 53.00 1oq3 s LEU 2 Cb 0.00 1.23 -0.09 0.00 0.03 0.00 0.00 46.19 47.36 1oq3 s LEU 2 CO 0.00 -0.08 0.87 -0.94 0.23 0.00 0.00 176.35 176.43 1oq3 s SER 3 N -0.77 7.20 0.04 2.29 1.04 -1.26 -5.09 113.70 117.15 1oq3 s SER 3 Ca 0.07 1.68 -0.13 0.00 0.48 0.00 0.00 55.95 58.05 1oq3 s SER 3 Cb -0.02 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.60 1oq3 s SER 3 CO -0.08 -0.07 0.28 -1.83 0.98 0.00 0.00 173.24 172.51 1oq3 s GLU 4 N -2.18 0.78 0.43 4.02 -1.05 -1.26 -5.19 118.70 114.26 1oq3 s GLU 4 Ca 0.49 -0.54 0.07 0.00 -0.15 0.00 0.00 54.97 54.84 1oq3 s GLU 4 Cb -0.17 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.82 1oq3 s GLU 4 CO 0.22 -0.25 0.21 1.14 0.95 0.00 0.00 175.26 177.53 1oq3 s GLN 5 N -2.57 2.26 0.15 -4.83 -2.07 -1.26 -4.42 119.66 106.92 1oq3 s GLN 5 Ca -0.05 -1.84 -0.16 0.00 -1.82 0.00 0.00 55.36 51.49 1oq3 s GLN 5 Cb -0.01 -2.02 0.03 0.00 -1.09 0.00 0.00 33.01 29.92 1oq3 s GLN 5 CO -0.04 -0.17 0.42 0.21 -1.32 0.00 0.00 175.29 174.40 1oq3 s LYS 6 N -3.96 1.18 0.47 9.60 2.20 -0.31 -5.00 119.74 123.93 1oq3 s LYS 6 Ca 0.40 -0.82 -0.13 0.00 -0.36 0.00 0.00 55.97 55.05 1oq3 s LYS 6 Cb 0.03 0.47 -0.07 0.00 -1.51 0.00 0.00 37.83 36.75 1oq3 s LYS 6 CO 0.22 -0.47 0.89 -1.83 -0.36 0.00 0.00 175.35 173.80 1oq3 s GLU 7 N -3.85 3.85 0.01 4.03 1.03 -1.26 -0.91 118.70 121.59 1oq3 s GLU 7 Ca 0.07 0.72 0.02 0.00 0.03 0.00 0.00 54.97 55.81 1oq3 s GLU 7 Cb 0.01 -2.25 -0.01 0.00 -0.80 0.00 0.00 34.13 31.08 1oq3 s GLU 7 CO -0.07 -0.19 -0.08 -1.50 -1.33 0.00 0.00 175.26 172.09 1oq3 s ILE 8 N -2.55 0.58 -0.07 1.83 -1.16 0.55 -4.95 121.20 115.43 1oq3 s ILE 8 Ca 0.55 -0.53 0.03 0.00 -0.51 0.00 0.00 60.65 60.19 1oq3 s ILE 8 Cb -0.10 -0.53 0.01 0.00 0.61 0.00 0.00 42.46 42.44 1oq3 s ILE 8 CO 0.33 0.01 -0.15 0.00 -2.81 0.00 0.00 174.94 172.32 1oq3 s ALA 9 N -0.50 1.49 0.32 1.50 0.00 -1.26 -0.81 121.76 122.49 1oq3 s ALA 9 Ca -0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 51.96 51.26 1oq3 s ALA 9 Cb -0.05 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.49 1oq3 s ALA 9 CO 0.00 0.17 0.64 0.00 0.00 0.00 0.00 175.76 176.57 1oq3 s MET 10 N 0.51 1.91 0.08 0.00 0.23 -0.47 -4.95 119.30 116.61 1oq3 s MET 10 Ca -0.14 -1.37 0.03 0.00 -1.03 0.00 0.00 55.69 53.18 1oq3 s MET 10 Cb -0.16 0.55 -0.04 0.00 -1.53 0.00 0.00 34.83 33.65 1oq3 s MET 10 CO 0.05 -0.85 0.10 -0.65 -2.03 0.00 0.00 175.02 171.63 1oq3 s GLN 11 N -3.21 2.95 0.29 3.16 1.11 -1.20 -0.91 119.66 121.84 1oq3 s GLN 11 Ca 0.19 -0.67 0.10 0.00 0.01 0.00 0.00 55.36 54.99 1oq3 s GLN 11 Cb -0.03 -2.76 -0.05 0.00 -1.01 0.00 0.00 33.01 29.16 1oq3 s GLN 11 CO 0.12 0.57 -0.04 0.08 0.01 0.00 0.00 175.29 176.02 1oq3 s VAL 12 N -1.42 2.98 -0.06 1.09 1.01 -1.18 -0.80 120.40 122.03 1oq3 s VAL 12 Ca 0.30 -2.04 0.02 0.00 0.00 0.00 0.00 61.98 60.27 1oq3 s VAL 12 Cb -0.12 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.56 1oq3 s VAL 12 CO 0.23 -0.33 -0.11 -0.55 0.00 0.00 0.00 175.10 174.34 1oq3 s SER 13 N -3.65 1.62 0.00 3.32 0.15 0.13 -4.81 113.70 110.46 1oq3 s SER 13 Ca 0.32 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1oq3 s SER 13 Cb -0.04 -0.70 0.00 0.00 -1.71 0.00 0.00 66.02 63.57 1oq3 s SER 13 CO 0.19 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.27 1oq3 n GLY 14 N 3.73 1.99 3.63 9.45 0.00 -1.26 -3.45 105.19 119.27 1oq3 n GLY 14 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.80 1.35 -1.75 1.61 0.00 -1.26 -4.95 117.12 111.32 1oq3 n MET 15 Ca 0.00 0.49 -0.09 0.00 0.00 0.00 0.00 57.70 58.10 1oq3 n MET 15 Cb 0.00 -2.16 0.07 0.00 0.00 0.00 0.00 33.22 31.14 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 -0.79 1.95 -2.02 3.17 -2.24 -1.26 -5.05 114.28 108.04 1oq3 n THR 16 Ca 0.10 -3.39 0.00 0.00 -2.27 0.00 0.00 64.05 58.49 1oq3 n THR 16 Cb 0.42 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 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 7.72 0.00 -1.71 0.00 0.00 -1.26 -0.76 120.51 124.50 1oq3 n ALA 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1oq3 n ALA 18 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 1.09 1.36 0.16 0.00 0.00 -1.26 -5.00 120.51 116.85 1oq3 n ALA 19 Ca 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 53.44 53.06 1oq3 n ALA 19 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.34 1.73 0.09 0.00 0.00 -1.96 0.14 119.26 117.92 1oq3 h ALA 21 Ca -0.05 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1oq3 h ALA 21 Cb 0.36 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1oq3 h ALA 21 CO 0.08 0.23 -0.21 0.00 0.00 0.00 0.00 179.25 179.35 1oq3 h ALA 22 N 1.77 -0.33 -0.53 0.00 0.00 -1.91 0.43 119.26 118.70 1oq3 h ALA 22 Ca 0.10 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1oq3 h ALA 22 Cb 0.03 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1oq3 h ALA 22 CO -0.01 -0.73 0.31 0.00 0.00 0.00 0.00 179.25 178.82 1oq3 h ARG 23 N -0.38 0.60 -0.08 0.00 3.08 0.30 0.11 114.38 118.01 1oq3 h ARG 23 Ca 0.03 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.07 1oq3 h ARG 23 Cb 0.41 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 1oq3 h ARG 23 CO -0.13 0.39 -0.53 0.82 -1.07 0.00 0.00 179.97 179.45 1oq3 h ILE 24 N 0.61 0.00 -0.13 2.04 2.04 -0.50 0.48 117.51 122.05 1oq3 h ILE 24 Ca 0.22 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.94 1oq3 h ILE 24 Cb 0.05 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 1oq3 h ILE 24 CO -0.11 0.00 -0.53 -0.08 0.00 0.00 0.00 178.15 177.43 1oq3 h GLU 25 N -0.61 0.36 -0.13 2.37 4.57 -0.70 -0.60 114.58 119.85 1oq3 h GLU 25 Ca 0.02 -0.22 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1oq3 h GLU 25 Cb 0.68 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 1oq3 h GLU 25 CO -0.40 0.80 0.08 0.87 -1.18 0.00 0.00 179.01 179.18 1oq3 h LYS 26 N 0.28 0.17 -0.37 1.92 1.79 -0.53 0.34 116.57 120.17 1oq3 h LYS 26 Ca 0.01 -0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.55 1oq3 h LYS 26 Cb 1.02 -0.04 -0.08 0.00 -1.58 0.00 0.00 32.23 31.55 1oq3 h LYS 26 CO 0.09 0.12 -0.19 0.78 -1.08 0.00 0.00 179.45 179.17 1oq3 h GLY 27 N 0.20 0.06 1.75 3.86 0.00 0.73 -2.45 103.07 107.22 1oq3 h GLY 27 Ca 0.05 0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.56 1oq3 h GLY 27 CO -0.01 -0.19 -0.16 1.41 0.00 0.00 0.00 176.54 177.59 1oq3 h LEU 28 N -0.13 0.29 -2.21 3.11 3.38 -0.22 -1.18 115.31 118.34 1oq3 h LEU 28 Ca 0.18 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1oq3 h LEU 28 Cb 0.42 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1oq3 h LEU 28 CO -0.45 0.47 0.27 0.50 0.09 0.00 0.00 178.44 179.32 1oq3 h LYS 29 N 0.28 0.00 0.00 1.13 1.63 -0.26 0.19 116.57 119.55 1oq3 h LYS 29 Ca 0.05 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.78 1oq3 h LYS 29 Cb 0.46 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1oq3 h LYS 29 CO 0.03 0.00 -0.35 0.00 -3.45 0.00 0.00 179.45 175.68 1oq3 h ARG 30 N 0.00 0.00 -6.63 1.90 -0.00 -1.01 -3.47 114.38 105.17 1oq3 h ARG 30 Ca 0.03 0.00 -0.53 0.00 -0.50 0.00 0.00 59.98 58.98 1oq3 h ARG 30 Cb 0.56 0.00 0.03 0.00 0.00 0.00 0.00 29.97 30.56 1oq3 h ARG 30 CO -0.00 0.35 0.67 -1.64 0.00 0.00 0.00 179.97 179.34 1oq3 s MET 31 N -3.30 4.37 -0.73 0.04 -1.94 0.68 -4.90 119.30 113.51 1oq3 s MET 31 Ca 0.03 2.04 -0.26 0.00 -1.71 0.00 0.00 55.69 55.79 1oq3 s MET 31 Cb 0.09 -3.22 -0.04 0.00 2.01 0.00 0.00 34.83 33.67 1oq3 s MET 31 CO 0.69 -0.31 1.96 -1.25 -0.01 0.00 0.00 175.02 176.11 1oq3 s PRO 32 N 0.32 2.50 0.00 2.03 0.04 -1.26 -1.86 135.00 136.76 1oq3 s PRO 32 Ca 0.59 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1oq3 s PRO 32 Cb -0.36 -4.70 0.00 0.00 0.04 0.00 0.00 34.50 29.48 1oq3 s PRO 32 CO 0.35 -3.13 0.00 0.41 0.04 0.00 0.00 177.00 174.67 1oq3 n GLY 33 N 6.25 0.87 3.76 0.56 0.00 -1.26 -4.48 105.19 110.89 1oq3 n GLY 33 Ca 0.31 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.94 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 2.29 -0.12 1.61 0.11 -0.78 -0.42 120.40 123.09 1oq3 s VAL 34 Ca 0.00 0.24 -0.13 0.00 -2.93 0.00 0.00 61.98 59.16 1oq3 s VAL 34 Cb 0.00 -3.13 -0.04 0.00 -1.53 0.00 0.00 36.38 31.68 1oq3 s VAL 34 CO 0.00 0.02 -0.26 0.41 -3.33 0.00 0.00 175.10 171.94 1oq3 n THR 35 N -0.48 1.21 -3.76 5.04 -1.04 0.44 -4.89 114.28 110.79 1oq3 n THR 35 Ca 0.07 0.22 -0.13 0.00 -2.04 0.00 0.00 64.05 62.17 1oq3 n THR 35 Cb 0.44 -2.12 -0.09 0.00 -1.82 0.00 0.00 70.33 66.74 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 -5.59 -0.22 -0.19 8.00 2.15 -1.15 -4.99 116.67 114.68 1oq3 s ASP 36 Ca -0.21 0.20 -0.01 0.00 0.43 0.00 0.00 52.55 52.96 1oq3 s ASP 36 Cb 0.03 0.38 0.01 0.00 -0.30 0.00 0.00 42.92 43.04 1oq3 s ASP 36 CO 0.32 -0.38 -0.14 0.00 -0.17 0.00 0.00 175.17 174.80 1oq3 s ALA 37 N -1.03 2.53 -0.21 3.66 0.00 -1.26 -0.29 121.76 125.16 1oq3 s ALA 37 Ca -0.11 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 50.65 1oq3 s ALA 37 Cb -0.05 -1.36 0.07 0.00 0.00 0.00 0.00 23.12 21.78 1oq3 s ALA 37 CO 0.03 -0.30 0.08 1.21 0.00 0.00 0.00 175.76 176.79 1oq3 s ASN 38 N 1.24 2.84 0.21 0.00 3.84 0.52 -4.93 114.94 118.66 1oq3 s ASN 38 Ca 0.03 -0.87 -0.21 0.00 0.21 0.00 0.00 52.86 52.02 1oq3 s ASN 38 Cb -0.14 -0.40 -0.08 0.00 -0.55 0.00 0.00 41.25 40.08 1oq3 s ASN 38 CO -0.07 -0.36 0.73 0.54 -2.79 0.00 0.00 177.10 175.16 1oq3 s VAL 39 N 2.02 4.53 -0.46 -5.21 0.11 -1.26 -0.87 120.40 119.27 1oq3 s VAL 39 Ca 0.03 1.37 0.08 0.00 -2.93 0.00 0.00 61.98 60.53 1oq3 s VAL 39 Cb -0.16 -3.91 0.29 0.00 -1.53 0.00 0.00 36.38 31.07 1oq3 s VAL 39 CO -0.15 0.27 0.68 -3.20 -3.33 0.00 0.00 175.10 169.37 1oq3 n ASN 40 N 0.90 1.63 0.19 3.54 5.15 0.10 -4.93 115.26 121.85 1oq3 n ASN 40 Ca -0.03 -3.06 0.14 0.00 -0.60 0.00 0.00 54.58 51.03 1oq3 n ASN 40 Cb 0.51 -0.63 0.66 0.00 -0.53 0.00 0.00 39.78 39.78 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 3.61 0.00 -2.38 1.20 3.38 -1.92 0.57 115.31 119.77 1oq3 h LEU 41 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1oq3 h LEU 41 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1oq3 h LEU 41 CO 0.59 0.00 0.18 0.00 0.09 0.00 0.00 178.44 179.30 1oq3 h ALA 42 N 2.10 1.17 0.00 1.53 0.00 -1.92 -0.62 119.26 121.53 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 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1oq3 h ALA 42 CO 0.00 -0.17 -0.21 2.41 0.00 0.00 0.00 179.25 181.27 1oq3 n THR 43 N -2.92 0.99 -3.28 0.00 -1.04 0.11 -5.00 114.28 103.14 1oq3 n THR 43 Ca -0.02 -1.18 -0.22 0.00 -2.04 0.00 0.00 64.05 60.58 1oq3 n THR 43 Cb 0.23 0.14 -0.00 0.00 -1.82 0.00 0.00 70.33 68.88 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 -0.74 -3.41 -4.09 -2.82 1.02 -0.24 -4.91 120.64 105.44 1oq3 n GLU 44 Ca 0.08 0.51 -0.08 0.00 -0.02 0.00 0.00 57.16 57.64 1oq3 n GLU 44 Cb 0.65 -5.22 -0.10 0.00 -0.02 0.00 0.00 31.44 26.75 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 -2.92 0.32 0.04 2.62 2.01 -0.72 -3.11 115.64 113.89 1oq3 s THR 45 Ca 0.37 -1.67 0.03 0.00 0.31 0.00 0.00 61.69 60.72 1oq3 s THR 45 Cb -0.19 -1.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.96 1oq3 s THR 45 CO 0.45 -0.87 -0.09 0.54 -0.69 0.00 0.00 174.62 173.96 1oq3 s VAL 46 N -3.38 0.64 -0.09 3.82 0.11 -0.09 0.01 120.40 121.42 1oq3 s VAL 46 Ca 0.04 -1.03 0.03 0.00 -2.93 0.00 0.00 61.98 58.09 1oq3 s VAL 46 Cb 0.04 -0.67 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 1oq3 s VAL 46 CO -0.07 -0.29 -0.17 0.21 -3.33 0.00 0.00 175.10 171.45 1oq3 s ASN 47 N -1.44 3.75 -0.00 3.54 2.47 -0.05 -1.37 114.94 121.83 1oq3 s ASN 47 Ca -0.07 -0.34 0.01 0.00 0.42 0.00 0.00 52.86 52.88 1oq3 s ASN 47 Cb -0.09 -1.18 -0.00 0.00 -1.45 0.00 0.00 41.25 38.53 1oq3 s ASN 47 CO 0.01 0.24 -0.05 0.54 -3.72 0.00 0.00 177.10 174.12 1oq3 s VAL 48 N -0.12 0.37 -0.15 -5.21 0.11 0.01 -0.35 120.40 115.06 1oq3 s VAL 48 Ca -0.03 -0.20 -0.05 0.00 -2.93 0.00 0.00 61.98 58.77 1oq3 s VAL 48 Cb -0.14 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 1oq3 s VAL 48 CO 0.04 0.10 0.03 -0.63 -3.33 0.00 0.00 175.10 171.31 1oq3 s ILE 49 N -0.12 4.49 0.21 7.04 1.01 0.60 -0.33 121.20 134.11 1oq3 s ILE 49 Ca 0.02 -0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.38 1oq3 s ILE 49 Cb -0.02 -2.98 0.00 0.00 0.01 0.00 0.00 42.46 39.48 1oq3 s ILE 49 CO -0.00 0.51 0.45 -0.72 0.00 0.00 0.00 174.94 175.18 1oq3 s TYR 50 N 0.02 0.23 -0.36 3.97 -0.85 -0.09 -0.42 117.35 119.85 1oq3 s TYR 50 Ca 0.04 -0.59 -0.15 0.00 -0.52 0.00 0.00 57.07 55.85 1oq3 s TYR 50 Cb -0.13 0.20 -0.01 0.00 0.38 0.00 0.00 41.96 42.40 1oq3 s TYR 50 CO 0.01 -0.91 0.33 0.34 -1.52 0.00 0.00 175.55 173.80 1oq3 s ASP 51 N -2.96 6.14 0.00 -0.18 -1.08 0.44 -1.16 116.67 117.86 1oq3 s ASP 51 Ca 0.17 -0.41 0.00 0.00 -0.52 0.00 0.00 52.55 51.80 1oq3 s ASP 51 Cb 0.00 -2.18 0.01 0.00 -1.46 0.00 0.00 42.92 39.29 1oq3 s ASP 51 CO 0.04 -0.35 0.48 -0.81 0.52 0.00 0.00 175.17 175.05 1oq3 n PRO 52 N 5.30 0.47 -0.07 4.34 -0.04 -1.12 -0.26 135.00 143.62 1oq3 n PRO 52 Ca -0.10 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.23 1oq3 n PRO 52 Cb 0.49 -1.01 -0.11 0.00 -0.04 0.00 0.00 33.50 32.84 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 1.96 0.03 0.00 0.55 0.00 -1.94 -3.39 119.26 116.47 1oq3 h ALA 53 Ca 0.00 -0.52 -0.31 0.00 0.00 0.00 0.00 54.91 54.08 1oq3 h ALA 53 Cb 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1oq3 h ALA 53 CO 0.00 0.09 -1.94 0.39 0.00 0.00 0.00 179.25 177.80 1oq3 n GLU 54 N -4.61 0.65 -3.70 0.00 -0.58 -1.04 -5.03 120.64 106.33 1oq3 n GLU 54 Ca -0.11 0.18 -0.11 0.00 -0.42 0.00 0.00 57.16 56.70 1oq3 n GLU 54 Cb 0.43 -1.70 -0.11 0.00 -0.57 0.00 0.00 31.44 29.49 1oq3 n GLU 54 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1oq3 s THR 55 N -2.58 -0.03 0.00 2.62 2.01 0.64 -4.87 115.64 113.42 1oq3 s THR 55 Ca -0.06 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.04 1oq3 s THR 55 Cb 0.07 -0.55 0.00 0.00 0.01 0.00 0.00 72.50 72.04 1oq3 s THR 55 CO 0.83 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 175.41 1oq3 n GLY 56 N 4.22 2.35 0.39 4.40 0.00 -1.26 -2.80 105.19 112.48 1oq3 n GLY 56 Ca -0.24 -0.88 0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.35 -0.08 2.61 5.66 -1.26 -0.66 114.28 120.20 1oq3 n THR 57 Ca 0.00 1.93 -0.10 0.00 -3.05 0.00 0.00 64.05 62.83 1oq3 n THR 57 Cb 0.00 -3.15 -0.04 0.00 -1.55 0.00 0.00 70.33 65.59 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 1.82 -0.39 -0.12 1.79 0.00 -2.00 0.17 119.26 120.52 1oq3 h ALA 58 Ca 0.86 0.05 -0.21 0.00 0.00 0.00 0.00 54.91 55.61 1oq3 h ALA 58 Cb 2.50 0.78 0.00 0.00 0.00 0.00 0.00 17.79 21.07 1oq3 h ALA 58 CO -0.64 -0.83 -0.77 0.00 0.00 0.00 0.00 179.25 177.01 1oq3 h ALA 59 N 0.44 0.42 0.29 0.00 0.00 -1.29 -3.29 119.26 115.84 1oq3 h ALA 59 Ca 0.13 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1oq3 h ALA 59 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1oq3 h ALA 59 CO -0.49 0.72 -0.14 0.82 0.00 0.00 0.00 179.25 180.15 1oq3 h ILE 60 N 0.42 0.74 -0.55 0.00 2.04 -0.92 -1.94 117.51 117.31 1oq3 h ILE 60 Ca -0.05 -0.38 0.10 0.00 1.00 0.00 0.00 64.86 65.54 1oq3 h ILE 60 Cb 1.38 0.95 -0.11 0.00 -0.74 0.00 0.00 36.82 38.30 1oq3 h ILE 60 CO 0.15 0.08 -0.28 1.56 0.00 0.00 0.00 178.15 179.65 1oq3 h GLN 61 N -0.60 -0.14 -0.99 2.37 7.50 -0.81 0.26 115.11 122.71 1oq3 h GLN 61 Ca -0.04 0.01 0.11 0.00 0.50 0.00 0.00 58.65 59.23 1oq3 h GLN 61 Cb 0.43 0.03 -0.13 0.00 0.05 0.00 0.00 27.48 27.86 1oq3 h GLN 61 CO 0.07 -0.09 -0.52 -1.91 -1.50 0.00 0.00 178.83 174.87 1oq3 n GLU 62 N -5.43 -0.37 -0.10 1.46 0.00 -1.09 -0.42 120.64 114.69 1oq3 n GLU 62 Ca 0.04 1.50 -0.14 0.00 0.00 0.00 0.00 57.16 58.56 1oq3 n GLU 62 Cb 0.34 -2.21 -0.03 0.00 0.00 0.00 0.00 31.44 29.54 1oq3 n GLU 62 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1oq3 h LYS 63 N 0.00 0.90 -0.53 5.31 6.56 -0.37 -2.37 116.57 126.07 1oq3 h LYS 63 Ca 0.22 -0.51 0.08 0.00 -1.06 0.00 0.00 60.65 59.38 1oq3 h LYS 63 Cb 0.46 0.04 -0.07 0.00 -0.57 0.00 0.00 32.23 32.09 1oq3 h LYS 63 CO -0.94 1.16 0.16 0.82 -2.06 0.00 0.00 179.45 178.58 1oq3 h ILE 64 N 0.70 0.77 -0.64 1.86 1.08 0.42 0.31 117.51 122.01 1oq3 h ILE 64 Ca 0.04 -0.11 0.11 0.00 -0.39 0.00 0.00 64.86 64.51 1oq3 h ILE 64 Cb 1.04 0.42 -0.08 0.00 -3.07 0.00 0.00 36.82 35.13 1oq3 h ILE 64 CO 0.10 0.06 0.23 -0.33 -0.69 0.00 0.00 178.15 177.52 1oq3 h GLU 65 N 0.32 0.39 -0.50 2.37 4.39 -0.53 -2.27 114.58 118.74 1oq3 h GLU 65 Ca 0.26 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.83 1oq3 h GLU 65 Cb 0.32 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1oq3 h GLU 65 CO -0.30 0.26 -0.13 -0.22 -1.16 0.00 0.00 179.01 177.47 1oq3 h LYS 66 N 0.40 0.95 0.00 2.33 1.63 -0.22 0.42 116.57 122.08 1oq3 h LYS 66 Ca 0.33 -0.35 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1oq3 h LYS 66 Cb 0.44 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1oq3 h LYS 66 CO -0.34 1.01 0.17 -0.07 -3.45 0.00 0.00 179.45 176.77 1oq3 h LEU 67 N 0.84 0.00 0.00 5.20 -0.00 -0.01 -3.46 115.31 117.88 1oq3 h LEU 67 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 1oq3 h LEU 67 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.33 1oq3 h LEU 67 CO 0.05 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.10 1oq3 n GLY 68 N -1.16 1.56 3.19 0.83 0.00 0.14 -5.02 105.19 104.73 1oq3 n GLY 68 Ca -0.02 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 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 1.01 -0.11 1.61 1.51 -0.91 -5.02 117.35 113.44 1oq3 s TYR 69 Ca 0.00 -1.16 0.03 0.00 -1.01 0.00 0.00 57.07 54.92 1oq3 s TYR 69 Cb 0.00 -0.57 -0.00 0.00 -0.11 0.00 0.00 41.96 41.28 1oq3 s TYR 69 CO 0.00 -0.41 -0.21 -3.38 -1.11 0.00 0.00 175.55 170.44 1oq3 s HIS 70 N -3.91 2.63 0.10 2.71 -3.43 -1.22 -2.72 115.29 109.45 1oq3 s HIS 70 Ca 0.25 -1.00 -0.05 0.00 -0.80 0.00 0.00 55.06 53.46 1oq3 s HIS 70 Cb 0.07 -1.75 -0.05 0.00 -1.43 0.00 0.00 32.58 29.41 1oq3 s HIS 70 CO 0.03 -0.40 0.34 0.54 -2.00 0.00 0.00 174.74 173.25 1oq3 s VAL 71 N 0.41 5.20 -0.10 -5.38 0.11 -1.26 -0.69 120.40 118.70 1oq3 s VAL 71 Ca -0.16 0.06 0.03 0.00 -2.93 0.00 0.00 61.98 58.98 1oq3 s VAL 71 Cb -0.17 -3.62 -0.01 0.00 -1.53 0.00 0.00 36.38 31.05 1oq3 s VAL 71 CO 0.07 0.13 -0.18 0.68 -3.33 0.00 0.00 175.10 172.47 1oq3 s VAL 72 N -1.55 2.66 -0.98 2.04 -7.23 0.02 -4.96 120.40 110.41 1oq3 s VAL 72 Ca 0.37 -0.82 -0.08 0.00 -1.81 0.00 0.00 61.98 59.64 1oq3 s VAL 72 Cb -0.13 -2.06 0.25 0.00 0.56 0.00 0.00 36.38 35.00 1oq3 s VAL 72 CO 0.23 0.55 0.94 -0.63 -0.31 0.00 0.00 175.10 175.87 1oq3 s ILE 73 N 0.06 5.46 0.05 -0.62 -1.09 -1.26 -3.23 121.20 120.57 1oq3 s ILE 73 Ca -0.07 -3.30 0.02 0.00 -2.23 0.00 0.00 60.65 55.07 1oq3 s ILE 73 Cb -0.15 -4.32 -0.03 0.00 -1.58 0.00 0.00 42.46 36.38 1oq3 s ILE 73 CO 0.05 -1.12 -0.08 -0.70 -1.23 0.00 0.00 174.94 171.86 1oq3 s GLU 74 N -0.93 0.60 0.00 2.79 2.12 -1.26 -5.04 118.70 116.98 1oq3 s GLU 74 Ca 0.27 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.72 1oq3 s GLU 74 Cb -0.10 -0.31 0.00 0.00 0.26 0.00 0.00 34.13 33.98 1oq3 s GLU 74 CO -0.09 0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 1oq3 n GLY 75 N 1.18 0.44 3.73 -1.50 0.00 -1.26 -4.72 105.19 103.05 1oq3 n GLY 75 Ca -0.21 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1oq3 n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19