#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 0.94 0.13 4.03 2.96 -1.26 -5.17 118.68 120.31 1oq3 s LEU 2 Ca 0.00 -1.33 0.11 0.00 -0.22 0.00 0.00 54.13 52.69 1oq3 s LEU 2 Cb 0.00 1.12 -0.04 0.00 0.50 0.00 0.00 46.19 47.77 1oq3 s LEU 2 CO 0.00 -1.09 -0.26 -0.94 -1.32 0.00 0.00 176.35 172.74 1oq3 s SER 3 N -3.17 3.36 -0.12 3.68 1.04 -1.26 -5.14 113.70 112.09 1oq3 s SER 3 Ca 0.32 -0.73 -0.25 0.00 0.48 0.00 0.00 55.95 55.77 1oq3 s SER 3 Cb 0.02 -0.25 0.06 0.00 0.10 0.00 0.00 66.02 65.95 1oq3 s SER 3 CO 0.15 0.18 0.61 -0.70 0.98 0.00 0.00 173.24 174.46 1oq3 s GLU 4 N -2.05 0.88 0.70 4.02 2.12 -1.26 -5.15 118.70 117.96 1oq3 s GLU 4 Ca 0.14 0.43 -0.07 0.00 0.36 0.00 0.00 54.97 55.83 1oq3 s GLU 4 Cb -0.10 0.42 0.05 0.00 0.26 0.00 0.00 34.13 34.76 1oq3 s GLU 4 CO 0.06 -0.22 1.01 1.14 -0.54 0.00 0.00 175.26 176.72 1oq3 s GLN 5 N -0.63 2.32 0.12 4.30 -2.07 -1.26 -4.41 119.66 118.03 1oq3 s GLN 5 Ca -0.07 -0.16 -0.11 0.00 -1.82 0.00 0.00 55.36 53.21 1oq3 s GLN 5 Cb -0.02 -2.16 0.00 0.00 -1.09 0.00 0.00 33.01 29.74 1oq3 s GLN 5 CO 0.06 -1.18 0.27 0.15 -1.32 0.00 0.00 175.29 173.27 1oq3 s LYS 6 N -5.24 1.00 0.15 9.60 1.02 -0.68 -5.00 119.74 120.60 1oq3 s LYS 6 Ca 0.59 -0.97 -0.27 0.00 0.02 0.00 0.00 55.97 55.34 1oq3 s LYS 6 Cb -0.11 0.38 -0.08 0.00 -0.52 0.00 0.00 37.83 37.51 1oq3 s LYS 6 CO 0.45 -0.36 0.83 -1.83 -0.92 0.00 0.00 175.35 173.53 1oq3 s GLU 7 N -3.88 4.63 0.14 1.68 -1.05 -1.26 -1.55 118.70 117.41 1oq3 s GLU 7 Ca 0.08 1.24 0.05 0.00 -0.15 0.00 0.00 54.97 56.20 1oq3 s GLU 7 Cb 0.04 -3.30 -0.04 0.00 -0.44 0.00 0.00 34.13 30.39 1oq3 s GLU 7 CO -0.08 0.47 0.08 -1.50 0.95 0.00 0.00 175.26 175.19 1oq3 s ILE 8 N -0.84 4.27 -0.08 1.83 1.10 0.13 -4.97 121.20 122.63 1oq3 s ILE 8 Ca 0.39 -1.09 -0.04 0.00 -0.51 0.00 0.00 60.65 59.39 1oq3 s ILE 8 Cb -0.23 -3.14 0.04 0.00 0.15 0.00 0.00 42.46 39.28 1oq3 s ILE 8 CO 0.27 -0.04 0.18 0.00 -2.11 0.00 0.00 174.94 173.24 1oq3 s ALA 9 N -1.63 -0.35 0.34 1.50 0.00 -1.26 -1.09 121.76 119.27 1oq3 s ALA 9 Ca 0.29 0.77 -0.15 0.00 0.00 0.00 0.00 51.96 52.88 1oq3 s ALA 9 Cb -0.10 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.47 1oq3 s ALA 9 CO 0.21 -0.25 0.70 0.00 0.00 0.00 0.00 175.76 176.43 1oq3 s MET 10 N 1.41 2.02 0.16 0.00 0.23 -0.30 -4.92 119.30 117.90 1oq3 s MET 10 Ca -0.07 -1.36 -0.07 0.00 -1.03 0.00 0.00 55.69 53.16 1oq3 s MET 10 Cb -0.11 0.58 -0.06 0.00 -1.53 0.00 0.00 34.83 33.71 1oq3 s MET 10 CO -0.07 -0.92 0.42 -0.65 -2.03 0.00 0.00 175.02 171.77 1oq3 s GLN 11 N -2.96 3.68 0.35 3.16 1.11 -1.21 -0.96 119.66 122.83 1oq3 s GLN 11 Ca 0.17 0.03 0.08 0.00 0.01 0.00 0.00 55.36 55.66 1oq3 s GLN 11 Cb -0.04 -2.82 -0.05 0.00 -1.01 0.00 0.00 33.01 29.09 1oq3 s GLN 11 CO 0.11 0.44 0.08 0.08 0.01 0.00 0.00 175.29 176.02 1oq3 s VAL 12 N -1.67 2.73 0.03 1.09 1.01 -1.17 -1.18 120.40 121.24 1oq3 s VAL 12 Ca 0.42 -1.84 0.03 0.00 0.00 0.00 0.00 61.98 60.59 1oq3 s VAL 12 Cb -0.12 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 1oq3 s VAL 12 CO 0.23 -0.17 -0.10 -0.55 0.00 0.00 0.00 175.10 174.51 1oq3 s SER 13 N -3.79 1.14 0.00 3.32 0.15 0.32 -4.85 113.70 110.00 1oq3 s SER 13 Ca 0.37 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1oq3 s SER 13 Cb -0.00 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 1oq3 s SER 13 CO 0.21 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1oq3 n GLY 14 N 2.05 3.04 3.74 9.45 0.00 -1.26 -3.24 105.19 118.98 1oq3 n GLY 14 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.26 1.71 -2.57 1.61 3.85 -1.26 -4.97 117.12 114.23 1oq3 n MET 15 Ca 0.00 0.63 -0.09 0.00 -1.00 0.00 0.00 57.70 57.24 1oq3 n MET 15 Cb 0.00 -2.58 0.04 0.00 -1.05 0.00 0.00 33.22 29.63 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 -1.02 1.66 -2.57 3.17 -2.24 -1.26 -5.03 114.28 107.00 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 0.44 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 -2.20 -1.40 0.00 0.00 -1.26 -0.26 120.51 122.20 1oq3 n ALA 18 Ca 0.00 -0.46 -0.14 0.00 0.00 0.00 0.00 53.44 52.84 1oq3 n ALA 18 Cb 0.00 -1.75 -0.06 0.00 0.00 0.00 0.00 19.45 17.64 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 -4.22 -0.21 0.16 0.00 0.00 -1.26 -4.88 120.51 110.09 1oq3 n ALA 19 Ca -0.13 0.22 -0.07 0.00 0.00 0.00 0.00 53.44 53.46 1oq3 n ALA 19 Cb 0.48 -1.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.04 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 -1.21 1.89 -0.82 0.00 0.00 -1.90 0.14 119.26 117.36 1oq3 h ALA 21 Ca -0.05 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.95 1oq3 h ALA 21 Cb 0.36 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1oq3 h ALA 21 CO 0.08 0.09 0.45 0.00 0.00 0.00 0.00 179.25 179.87 1oq3 h ALA 22 N 1.85 1.18 -0.43 0.00 0.00 -1.92 -1.54 119.26 118.41 1oq3 h ALA 22 Ca 0.10 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1oq3 h ALA 22 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1oq3 h ALA 22 CO -0.02 0.04 0.25 0.00 0.00 0.00 0.00 179.25 179.52 1oq3 h ARG 23 N 0.73 0.59 -0.14 0.00 2.47 -0.47 0.17 114.38 117.73 1oq3 h ARG 23 Ca 0.41 -0.06 0.03 0.00 -1.26 0.00 0.00 59.98 59.10 1oq3 h ARG 23 Cb 0.43 -0.12 -0.06 0.00 -1.65 0.00 0.00 29.97 28.57 1oq3 h ARG 23 CO -0.28 0.45 -0.50 0.82 0.56 0.00 0.00 179.97 181.02 1oq3 h ILE 24 N 0.57 0.00 -0.09 2.04 2.04 -1.02 -0.61 117.51 120.44 1oq3 h ILE 24 Ca 0.15 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.85 1oq3 h ILE 24 Cb 0.01 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.08 1oq3 h ILE 24 CO -0.03 0.00 -0.63 -0.08 0.00 0.00 0.00 178.15 177.41 1oq3 h GLU 25 N -0.52 0.35 -0.87 2.37 4.57 -1.23 -2.71 114.58 116.54 1oq3 h GLU 25 Ca 0.03 -0.25 0.10 0.00 -1.18 0.00 0.00 59.36 58.06 1oq3 h GLU 25 Cb 0.61 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.18 1oq3 h GLU 25 CO -0.41 0.87 0.56 0.87 -1.18 0.00 0.00 179.01 179.72 1oq3 h LYS 26 N 0.25 0.82 -0.33 1.92 1.79 -0.27 0.30 116.57 121.05 1oq3 h LYS 26 Ca -0.01 -0.05 0.07 0.00 -2.18 0.00 0.00 60.65 58.48 1oq3 h LYS 26 Cb 1.16 -0.18 -0.08 0.00 -1.58 0.00 0.00 32.23 31.55 1oq3 h LYS 26 CO 0.10 0.54 -0.23 0.78 -1.08 0.00 0.00 179.45 179.56 1oq3 h GLY 27 N 0.84 -0.07 1.90 3.86 0.00 -0.78 -2.05 103.07 106.77 1oq3 h GLY 27 Ca 0.41 0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.98 1oq3 h GLY 27 CO -0.17 -0.20 -0.19 1.41 0.00 0.00 0.00 176.54 177.39 1oq3 h LEU 28 N -0.20 0.12 -1.06 3.11 3.38 -0.55 0.36 115.31 120.47 1oq3 h LEU 28 Ca 0.17 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1oq3 h LEU 28 Cb 0.46 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1oq3 h LEU 28 CO -0.44 0.32 0.03 1.17 0.09 0.00 0.00 178.44 179.61 1oq3 n LYS 29 N -4.26 0.10 0.00 1.13 4.81 0.65 -0.46 118.16 120.13 1oq3 n LYS 29 Ca -0.01 0.60 0.12 0.00 -0.87 0.00 0.00 58.31 58.14 1oq3 n LYS 29 Cb 0.28 -1.87 0.12 0.00 0.02 0.00 0.00 35.03 33.58 1oq3 n LYS 29 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1oq3 n ARG 30 N -2.06 1.88 -2.65 1.64 3.00 0.11 -4.95 116.66 113.63 1oq3 n ARG 30 Ca -0.01 -1.51 -0.40 0.00 -0.01 0.00 0.00 57.85 55.92 1oq3 n ARG 30 Cb 0.06 -1.47 -0.05 0.00 0.00 0.00 0.00 32.46 31.00 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 -2.16 4.76 -0.81 5.56 -1.94 0.39 -4.94 119.30 120.16 1oq3 s MET 31 Ca 0.26 1.60 -0.25 0.00 -1.71 0.00 0.00 55.69 55.59 1oq3 s MET 31 Cb 0.19 -3.26 -0.05 0.00 2.01 0.00 0.00 34.83 33.73 1oq3 s MET 31 CO 0.39 0.37 1.97 -1.25 -0.01 0.00 0.00 175.02 176.50 1oq3 s PRO 32 N -1.12 2.49 0.00 2.03 0.04 -1.26 -1.87 135.00 135.31 1oq3 s PRO 32 Ca 0.43 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.51 1oq3 s PRO 32 Cb -0.28 -4.86 0.00 0.00 0.04 0.00 0.00 34.50 29.40 1oq3 s PRO 32 CO 0.35 -3.30 0.00 0.41 0.04 0.00 0.00 177.00 174.50 1oq3 n GLY 33 N 6.54 0.59 3.74 0.56 0.00 -1.26 -4.39 105.19 110.97 1oq3 n GLY 33 Ca 0.36 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.27 2.88 0.05 1.61 0.11 -0.78 -0.55 120.40 123.45 1oq3 s VAL 34 Ca 0.00 0.35 -0.01 0.00 -2.93 0.00 0.00 61.98 59.39 1oq3 s VAL 34 Cb 0.00 -2.78 -0.01 0.00 -1.53 0.00 0.00 36.38 32.07 1oq3 s VAL 34 CO 0.00 -0.31 -0.02 0.41 -3.33 0.00 0.00 175.10 171.84 1oq3 n THR 35 N -3.17 0.84 -3.96 5.04 -1.04 0.39 -4.88 114.28 107.49 1oq3 n THR 35 Ca 0.11 0.24 -0.08 0.00 -2.04 0.00 0.00 64.05 62.28 1oq3 n THR 35 Cb 0.52 -1.60 -0.09 0.00 -1.82 0.00 0.00 70.33 67.34 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 -5.69 0.26 -0.02 8.00 2.15 -1.16 -5.01 116.67 115.19 1oq3 s ASP 36 Ca -0.02 -0.70 0.01 0.00 0.43 0.00 0.00 52.55 52.27 1oq3 s ASP 36 Cb 0.00 0.24 0.01 0.00 -0.30 0.00 0.00 42.92 42.87 1oq3 s ASP 36 CO 0.03 -0.58 -0.04 0.00 -0.17 0.00 0.00 175.17 174.41 1oq3 s ALA 37 N -3.24 0.51 -0.10 3.66 0.00 -1.26 -0.42 121.76 120.90 1oq3 s ALA 37 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 51.96 51.83 1oq3 s ALA 37 Cb 0.03 -0.25 0.05 0.00 0.00 0.00 0.00 23.12 22.95 1oq3 s ALA 37 CO -0.07 0.04 0.13 -0.80 0.00 0.00 0.00 175.76 175.06 1oq3 s ASN 38 N 0.41 1.23 0.02 0.00 0.01 0.21 -4.98 114.94 111.85 1oq3 s ASN 38 Ca -0.05 0.02 -0.17 0.00 -0.71 0.00 0.00 52.86 51.96 1oq3 s ASN 38 Cb -0.08 0.08 -0.06 0.00 0.41 0.00 0.00 41.25 41.60 1oq3 s ASN 38 CO -0.00 -0.28 0.47 0.54 -1.51 0.00 0.00 177.10 176.32 1oq3 s VAL 39 N 2.24 4.93 -0.48 1.60 0.11 -1.26 -0.80 120.40 126.74 1oq3 s VAL 39 Ca 0.04 0.99 0.08 0.00 -2.93 0.00 0.00 61.98 60.15 1oq3 s VAL 39 Cb -0.13 -3.79 0.27 0.00 -1.53 0.00 0.00 36.38 31.20 1oq3 s VAL 39 CO -0.06 0.56 0.65 -3.20 -3.33 0.00 0.00 175.10 169.72 1oq3 n ASN 40 N 1.86 1.70 0.18 3.54 5.15 0.92 -4.94 115.26 123.68 1oq3 n ASN 40 Ca -0.12 -3.04 0.14 0.00 -0.60 0.00 0.00 54.58 50.95 1oq3 n ASN 40 Cb 0.52 -0.64 0.62 0.00 -0.53 0.00 0.00 39.78 39.75 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 3.83 0.00 -2.20 1.20 3.38 -1.92 0.05 115.31 119.64 1oq3 h LEU 41 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1oq3 h LEU 41 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1oq3 h LEU 41 CO 0.61 0.00 0.24 0.00 0.09 0.00 0.00 178.44 179.38 1oq3 h ALA 42 N 2.12 1.23 0.00 1.53 0.00 -1.92 -1.17 119.26 121.05 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 -0.23 -0.13 2.41 0.00 0.00 0.00 179.25 181.30 1oq3 n THR 43 N -2.89 0.68 -3.27 0.00 -1.04 -0.07 -5.01 114.28 102.69 1oq3 n THR 43 Ca -0.02 -0.77 -0.23 0.00 -2.04 0.00 0.00 64.05 60.99 1oq3 n THR 43 Cb 0.29 0.46 0.00 0.00 -1.82 0.00 0.00 70.33 69.26 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 -0.46 -3.64 -4.14 -2.82 1.02 -0.44 -4.94 120.64 105.22 1oq3 n GLU 44 Ca 0.04 0.56 -0.14 0.00 -0.02 0.00 0.00 57.16 57.60 1oq3 n GLU 44 Cb 0.52 -5.29 -0.11 0.00 -0.02 0.00 0.00 31.44 26.54 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 -2.96 0.81 0.05 2.62 2.01 -0.76 -3.04 115.64 114.36 1oq3 s THR 45 Ca 0.37 -1.46 0.02 0.00 0.31 0.00 0.00 61.69 60.93 1oq3 s THR 45 Cb -0.19 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 1oq3 s THR 45 CO 0.45 -0.50 -0.07 0.54 -0.69 0.00 0.00 174.62 174.35 1oq3 s VAL 46 N -2.11 0.54 0.12 3.82 0.11 -0.13 -0.05 120.40 122.69 1oq3 s VAL 46 Ca 0.00 -1.19 0.10 0.00 -2.93 0.00 0.00 61.98 57.96 1oq3 s VAL 46 Cb -0.05 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1oq3 s VAL 46 CO -0.00 -0.46 -0.24 0.54 -3.33 0.00 0.00 175.10 171.61 1oq3 s ASN 47 N -1.78 2.99 -0.11 3.54 4.22 0.02 -1.14 114.94 122.68 1oq3 s ASN 47 Ca -0.07 -0.73 -0.07 0.00 -2.14 0.00 0.00 52.86 49.84 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 0.12 0.28 0.54 -2.04 0.00 0.00 177.10 176.00 1oq3 s VAL 48 N -1.15 -0.02 -0.21 3.54 0.11 -0.25 -0.62 120.40 121.81 1oq3 s VAL 48 Ca 0.11 0.08 -0.09 0.00 -2.93 0.00 0.00 61.98 59.15 1oq3 s VAL 48 Cb -0.10 -0.41 -0.05 0.00 -1.53 0.00 0.00 36.38 34.29 1oq3 s VAL 48 CO 0.05 0.03 0.11 -0.63 -3.33 0.00 0.00 175.10 171.34 1oq3 s ILE 49 N 0.83 5.14 0.24 7.04 1.01 0.44 -0.69 121.20 135.21 1oq3 s ILE 49 Ca -0.06 0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.58 1oq3 s ILE 49 Cb -0.07 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.04 1oq3 s ILE 49 CO -0.06 0.41 0.43 -0.72 0.00 0.00 0.00 174.94 175.01 1oq3 s TYR 50 N 0.65 0.47 -0.24 3.97 -0.85 -0.60 -0.47 117.35 120.30 1oq3 s TYR 50 Ca 0.06 -0.81 -0.06 0.00 -0.52 0.00 0.00 57.07 55.74 1oq3 s TYR 50 Cb -0.12 0.09 -0.02 0.00 0.38 0.00 0.00 41.96 42.29 1oq3 s TYR 50 CO 0.01 -0.95 0.04 0.34 -1.52 0.00 0.00 175.55 173.46 1oq3 s ASP 51 N -3.04 4.90 0.00 -0.18 -1.08 0.29 -1.68 116.67 115.88 1oq3 s ASP 51 Ca 0.25 -0.25 0.03 0.00 -0.52 0.00 0.00 52.55 52.05 1oq3 s ASP 51 Cb 0.00 -1.87 0.15 0.00 -1.46 0.00 0.00 42.92 39.75 1oq3 s ASP 51 CO 0.10 -0.02 0.63 -0.81 0.52 0.00 0.00 175.17 175.59 1oq3 n PRO 52 N 4.82 0.50 0.02 4.34 -0.04 -1.09 -0.18 135.00 143.37 1oq3 n PRO 52 Ca -0.17 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.11 1oq3 n PRO 52 Cb 0.51 -1.08 -0.13 0.00 -0.04 0.00 0.00 33.50 32.77 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 2.15 -0.01 0.00 0.55 0.00 -1.94 -3.39 119.26 116.62 1oq3 h ALA 53 Ca 0.00 -0.62 -0.36 0.00 0.00 0.00 0.00 54.91 53.93 1oq3 h ALA 53 Cb 0.00 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1oq3 h ALA 53 CO 0.00 0.35 -2.30 0.39 0.00 0.00 0.00 179.25 177.69 1oq3 n GLU 54 N -4.19 0.55 -4.37 0.00 -0.58 -1.08 -5.06 120.64 105.91 1oq3 n GLU 54 Ca -0.12 0.16 -0.25 0.00 -0.42 0.00 0.00 57.16 56.53 1oq3 n GLU 54 Cb 0.73 -1.43 -0.17 0.00 -0.57 0.00 0.00 31.44 30.01 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 -2.45 1.04 0.12 2.62 2.01 0.74 -4.96 115.64 114.77 1oq3 s THR 55 Ca -0.31 -0.39 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 1oq3 s THR 55 Cb 0.09 -0.99 0.01 0.00 0.01 0.00 0.00 72.50 71.62 1oq3 s THR 55 CO 0.49 0.34 0.20 0.61 -0.69 0.00 0.00 174.62 175.58 1oq3 n GLY 56 N 4.12 2.32 0.54 4.40 0.00 -1.26 -2.66 105.19 112.65 1oq3 n GLY 56 Ca -0.21 -1.30 0.42 0.00 0.00 0.00 0.00 46.02 44.93 1oq3 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oq3 h THR 57 N 1.33 0.09 -0.13 2.61 1.03 -2.00 0.11 112.91 115.96 1oq3 h THR 57 Ca -0.10 -0.02 0.04 0.00 -0.01 0.00 0.00 66.41 66.33 1oq3 h THR 57 Cb 0.40 0.04 -0.07 0.00 -1.07 0.00 0.00 68.15 67.46 1oq3 h THR 57 CO 0.13 0.01 -0.44 0.00 -0.01 0.00 0.00 175.52 175.21 1oq3 h ALA 58 N 1.43 -0.64 -0.12 0.00 0.00 -2.00 0.13 119.26 118.05 1oq3 h ALA 58 Ca 0.85 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.56 1oq3 h ALA 58 Cb 2.92 0.82 -0.00 0.00 0.00 0.00 0.00 17.79 21.53 1oq3 h ALA 58 CO -0.29 -0.95 -0.67 0.00 0.00 0.00 0.00 179.25 177.34 1oq3 h ALA 59 N 0.05 0.61 0.69 0.00 0.00 -1.18 -3.23 119.26 116.19 1oq3 h ALA 59 Ca 0.07 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 1oq3 h ALA 59 Cb 0.64 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1oq3 h ALA 59 CO -0.40 0.73 -0.33 0.82 0.00 0.00 0.00 179.25 180.06 1oq3 h ILE 60 N 0.35 0.20 -0.59 0.00 2.04 -1.10 -1.99 117.51 116.42 1oq3 h ILE 60 Ca -0.02 -0.23 0.12 0.00 1.00 0.00 0.00 64.86 65.73 1oq3 h ILE 60 Cb 1.23 0.25 -0.11 0.00 -0.74 0.00 0.00 36.82 37.45 1oq3 h ILE 60 CO 0.12 0.02 -0.18 1.56 0.00 0.00 0.00 178.15 179.67 1oq3 h GLN 61 N -1.11 -0.03 -0.87 2.37 7.50 -0.85 0.24 115.11 122.35 1oq3 h GLN 61 Ca -0.09 0.00 0.10 0.00 0.50 0.00 0.00 58.65 59.15 1oq3 h GLN 61 Cb 0.74 0.01 -0.12 0.00 0.05 0.00 0.00 27.48 28.16 1oq3 h GLN 61 CO 0.16 -0.02 -0.53 1.49 -1.50 0.00 0.00 178.83 178.42 1oq3 h GLU 62 N -0.04 -0.08 -0.38 1.46 4.22 -1.55 0.93 114.58 119.15 1oq3 h GLU 62 Ca 0.28 0.01 -0.13 0.00 0.08 0.00 0.00 59.36 59.59 1oq3 h GLU 62 Cb 0.46 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1oq3 h GLU 62 CO -0.62 -0.05 -0.27 0.87 -2.18 0.00 0.00 179.01 176.75 1oq3 h LYS 63 N -0.08 0.85 -0.56 1.92 6.56 -0.33 -3.06 116.57 121.87 1oq3 h LYS 63 Ca 0.19 -0.41 0.10 0.00 -1.06 0.00 0.00 60.65 59.47 1oq3 h LYS 63 Cb 0.49 -0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 32.07 1oq3 h LYS 63 CO -0.87 1.05 0.12 0.82 -2.06 0.00 0.00 179.45 178.51 1oq3 h ILE 64 N 0.65 0.68 -0.63 1.86 1.08 0.34 0.34 117.51 121.83 1oq3 h ILE 64 Ca 0.07 -0.09 0.12 0.00 -0.39 0.00 0.00 64.86 64.58 1oq3 h ILE 64 Cb 0.84 0.40 -0.09 0.00 -3.07 0.00 0.00 36.82 34.90 1oq3 h ILE 64 CO 0.07 0.05 0.14 -0.33 -0.69 0.00 0.00 178.15 177.39 1oq3 h GLU 65 N 0.26 0.26 -0.15 2.37 4.39 -0.72 -2.25 114.58 118.73 1oq3 h GLU 65 Ca 0.29 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.83 1oq3 h GLU 65 Cb 0.41 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1oq3 h GLU 65 CO -0.37 0.17 -0.53 0.87 -1.16 0.00 0.00 179.01 177.99 1oq3 h LYS 66 N 0.26 0.42 -0.18 2.33 1.79 -0.41 -0.36 116.57 120.43 1oq3 h LYS 66 Ca 0.34 -0.25 0.05 0.00 -2.18 0.00 0.00 60.65 58.60 1oq3 h LYS 66 Cb 0.52 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 1oq3 h LYS 66 CO -0.43 0.84 0.39 -0.07 -1.08 0.00 0.00 179.45 179.10 1oq3 h LEU 67 N 0.32 0.00 0.00 2.94 -0.00 0.04 -3.45 115.31 115.16 1oq3 h LEU 67 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1oq3 h LEU 67 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.69 1oq3 h LEU 67 CO 0.09 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.14 1oq3 n GLY 68 N -1.34 1.60 3.11 0.83 0.00 -0.14 -4.98 105.19 104.27 1oq3 n GLY 68 Ca 0.02 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 0.63 -0.16 1.61 1.51 -1.03 -5.02 117.35 112.89 1oq3 s TYR 69 Ca 0.00 -1.07 0.01 0.00 -1.01 0.00 0.00 57.07 55.00 1oq3 s TYR 69 Cb 0.00 -0.43 0.01 0.00 -0.11 0.00 0.00 41.96 41.44 1oq3 s TYR 69 CO 0.00 -0.37 -0.20 -3.38 -1.11 0.00 0.00 175.55 170.50 1oq3 s HIS 70 N -3.89 2.74 0.14 2.71 -3.43 -1.20 -2.91 115.29 109.44 1oq3 s HIS 70 Ca 0.10 -1.41 -0.02 0.00 -0.80 0.00 0.00 55.06 52.93 1oq3 s HIS 70 Cb 0.08 -1.87 -0.05 0.00 -1.43 0.00 0.00 32.58 29.30 1oq3 s HIS 70 CO -0.07 -0.67 0.32 0.54 -2.00 0.00 0.00 174.74 172.86 1oq3 s VAL 71 N 1.02 5.26 -0.02 -5.38 0.11 -1.26 -0.52 120.40 119.61 1oq3 s VAL 71 Ca -0.02 -0.26 0.08 0.00 -2.93 0.00 0.00 61.98 58.85 1oq3 s VAL 71 Cb -0.14 -3.67 -0.02 0.00 -1.53 0.00 0.00 36.38 31.02 1oq3 s VAL 71 CO -0.06 -0.00 -0.24 0.68 -3.33 0.00 0.00 175.10 172.14 1oq3 s VAL 72 N -1.68 1.92 -0.66 2.04 -7.23 -0.32 -4.95 120.40 109.52 1oq3 s VAL 72 Ca 0.38 -1.04 -0.10 0.00 -1.81 0.00 0.00 61.98 59.40 1oq3 s VAL 72 Cb -0.12 -1.59 0.17 0.00 0.56 0.00 0.00 36.38 35.40 1oq3 s VAL 72 CO 0.27 0.54 0.55 -0.63 -0.31 0.00 0.00 175.10 175.53 1oq3 s ILE 73 N -0.57 4.78 -0.03 -0.62 -1.09 -1.26 -3.33 121.20 119.07 1oq3 s ILE 73 Ca 0.09 -2.30 -0.19 0.00 -2.23 0.00 0.00 60.65 56.03 1oq3 s ILE 73 Cb -0.09 -4.04 0.04 0.00 -1.58 0.00 0.00 42.46 36.78 1oq3 s ILE 73 CO -0.01 -0.91 0.41 -1.83 -1.23 0.00 0.00 174.94 171.37 1oq3 s GLU 74 N 0.58 0.76 0.00 2.79 -1.05 -1.26 -5.04 118.70 115.49 1oq3 s GLU 74 Ca 0.13 -0.04 0.00 0.00 -0.15 0.00 0.00 54.97 54.90 1oq3 s GLU 74 Cb -0.19 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 33.85 1oq3 s GLU 74 CO -0.04 -0.22 0.00 0.41 0.95 0.00 0.00 175.26 176.36 1oq3 n GLY 75 N 1.24 1.46 0.84 -3.83 0.00 -1.26 -4.57 105.19 99.08 1oq3 n GLY 75 Ca -0.21 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 45.86 1oq3 n GLY 75 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36