#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 4.17 0.02 4.03 1.02 -1.26 -5.04 118.68 121.62 1oq3 s LEU 2 Ca 0.00 0.13 -0.08 0.00 0.02 0.00 0.00 54.13 54.20 1oq3 s LEU 2 Cb 0.00 -2.43 -0.00 0.00 0.02 0.00 0.00 46.19 43.78 1oq3 s LEU 2 CO 0.00 -0.26 0.15 -0.55 0.02 0.00 0.00 176.35 175.71 1oq3 s SER 3 N 1.68 0.06 -0.09 2.29 0.15 -1.26 -5.14 113.70 111.39 1oq3 s SER 3 Ca 0.15 -0.33 -0.26 0.00 0.70 0.00 0.00 55.95 56.21 1oq3 s SER 3 Cb -0.16 0.24 0.06 0.00 -1.71 0.00 0.00 66.02 64.45 1oq3 s SER 3 CO 0.11 -0.47 0.60 -0.70 1.20 0.00 0.00 173.24 173.98 1oq3 s GLU 4 N -2.05 0.91 0.59 5.44 2.12 -1.26 -5.12 118.70 119.32 1oq3 s GLU 4 Ca -0.09 0.32 -0.08 0.00 0.36 0.00 0.00 54.97 55.48 1oq3 s GLU 4 Cb -0.04 0.43 -0.01 0.00 0.26 0.00 0.00 34.13 34.77 1oq3 s GLU 4 CO -0.01 -0.24 0.93 1.14 -0.54 0.00 0.00 175.26 176.53 1oq3 s GLN 5 N -0.85 3.22 0.07 4.30 -2.07 -1.26 -4.42 119.66 118.65 1oq3 s GLN 5 Ca -0.09 0.29 -0.14 0.00 -1.82 0.00 0.00 55.36 53.60 1oq3 s GLN 5 Cb -0.02 -2.21 0.02 0.00 -1.09 0.00 0.00 33.01 29.71 1oq3 s GLN 5 CO 0.07 -0.60 0.32 0.15 -1.32 0.00 0.00 175.29 173.90 1oq3 s LYS 6 N -5.03 0.88 -0.37 9.60 -0.14 -0.65 -4.99 119.74 119.03 1oq3 s LYS 6 Ca 0.53 -0.60 -0.26 0.00 -1.36 0.00 0.00 55.97 54.28 1oq3 s LYS 6 Cb -0.11 0.38 0.02 0.00 -1.68 0.00 0.00 37.83 36.44 1oq3 s LYS 6 CO 0.48 -0.30 0.93 -1.83 -0.76 0.00 0.00 175.35 173.87 1oq3 s GLU 7 N -2.99 3.83 0.21 1.68 -1.05 -1.26 -1.87 118.70 117.26 1oq3 s GLU 7 Ca -0.02 0.56 -0.00 0.00 -0.15 0.00 0.00 54.97 55.36 1oq3 s GLU 7 Cb 0.01 -3.81 -0.04 0.00 -0.44 0.00 0.00 34.13 29.85 1oq3 s GLU 7 CO -0.06 -0.96 0.40 -1.50 0.95 0.00 0.00 175.26 174.09 1oq3 s ILE 8 N 3.49 5.20 -0.00 1.83 1.10 0.08 -4.95 121.20 127.95 1oq3 s ILE 8 Ca 0.38 -0.43 0.00 0.00 -0.51 0.00 0.00 60.65 60.09 1oq3 s ILE 8 Cb -0.12 -3.75 0.01 0.00 0.15 0.00 0.00 42.46 38.75 1oq3 s ILE 8 CO 0.19 -0.21 0.01 0.00 -2.11 0.00 0.00 174.94 172.81 1oq3 s ALA 9 N -1.91 0.03 0.26 1.50 0.00 -1.26 -0.75 121.76 119.62 1oq3 s ALA 9 Ca 0.38 0.07 -0.18 0.00 0.00 0.00 0.00 51.96 52.23 1oq3 s ALA 9 Cb -0.11 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.97 1oq3 s ALA 9 CO 0.30 -0.02 0.63 0.00 0.00 0.00 0.00 175.76 176.66 1oq3 s MET 10 N 0.25 1.67 0.28 0.00 0.23 -0.30 -4.85 119.30 116.57 1oq3 s MET 10 Ca -0.02 -1.04 -0.06 0.00 -1.03 0.00 0.00 55.69 53.53 1oq3 s MET 10 Cb -0.03 0.56 -0.06 0.00 -1.53 0.00 0.00 34.83 33.77 1oq3 s MET 10 CO -0.01 -0.74 0.56 -0.65 -2.03 0.00 0.00 175.02 172.16 1oq3 s GLN 11 N -3.94 3.68 -0.06 3.16 1.11 -1.26 -0.84 119.66 121.51 1oq3 s GLN 11 Ca 0.14 0.10 0.06 0.00 0.01 0.00 0.00 55.36 55.67 1oq3 s GLN 11 Cb -0.04 -2.63 -0.01 0.00 -1.01 0.00 0.00 33.01 29.32 1oq3 s GLN 11 CO 0.06 0.23 -0.25 0.08 0.01 0.00 0.00 175.29 175.42 1oq3 s VAL 12 N -2.03 2.08 -0.11 1.09 1.01 -1.00 -1.29 120.40 120.15 1oq3 s VAL 12 Ca 0.45 -1.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.20 1oq3 s VAL 12 Cb -0.11 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1oq3 s VAL 12 CO 0.28 0.57 0.47 -0.55 0.00 0.00 0.00 175.10 175.86 1oq3 s SER 13 N -0.14 6.69 0.00 3.32 0.15 0.30 -4.37 113.70 119.66 1oq3 s SER 13 Ca -0.04 0.82 0.00 0.00 0.70 0.00 0.00 55.95 57.43 1oq3 s SER 13 Cb -0.14 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1oq3 s SER 13 CO 0.04 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1oq3 n GLY 14 N 3.13 1.51 3.54 9.45 0.00 -1.26 -3.36 105.19 118.20 1oq3 n GLY 14 Ca -0.08 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.40 1oq3 n GLY 14 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1oq3 n MET 15 N -0.72 1.04 -0.98 1.61 0.00 -1.26 -4.81 117.12 112.00 1oq3 n MET 15 Ca 0.00 0.34 0.02 0.00 0.00 0.00 0.00 57.70 58.06 1oq3 n MET 15 Cb 0.00 -2.22 0.01 0.00 0.00 0.00 0.00 33.22 31.01 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 6.00 0.00 -2.42 1.12 -2.24 -1.26 -5.08 114.28 110.39 1oq3 n THR 16 Ca 0.36 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1oq3 n THR 16 Cb 0.16 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 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 -3.00 2.65 -2.62 0.00 0.00 -1.26 -4.78 120.51 111.50 1oq3 n ALA 18 Ca 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 53.44 52.96 1oq3 n ALA 18 Cb 0.00 -0.29 0.09 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.02 2.91 0.16 0.00 0.00 -1.26 -4.96 120.51 117.34 1oq3 n ALA 19 Ca 0.04 -1.40 -0.07 0.00 0.00 0.00 0.00 53.44 52.00 1oq3 n ALA 19 Cb 0.19 -0.77 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.32 2.04 -0.29 0.00 0.00 -1.97 0.14 119.26 117.86 1oq3 h ALA 21 Ca -0.05 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1oq3 h ALA 21 Cb 0.35 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 1oq3 h ALA 21 CO 0.08 -0.35 -0.30 0.00 0.00 0.00 0.00 179.25 178.68 1oq3 h ALA 22 N 1.61 -0.21 -0.16 0.00 0.00 -1.93 0.17 119.26 118.75 1oq3 h ALA 22 Ca 0.50 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.42 1oq3 h ALA 22 Cb 1.08 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 1oq3 h ALA 22 CO -0.24 -0.72 -0.17 0.00 0.00 0.00 0.00 179.25 178.13 1oq3 h ARG 23 N -0.29 0.39 -0.24 0.00 2.47 -0.83 0.53 114.38 116.42 1oq3 h ARG 23 Ca 0.14 -0.21 0.06 0.00 -1.26 0.00 0.00 59.98 58.71 1oq3 h ARG 23 Cb 0.52 0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.77 1oq3 h ARG 23 CO -0.45 0.77 -0.29 0.82 0.56 0.00 0.00 179.97 181.38 1oq3 h ILE 24 N 0.03 0.31 -0.28 2.04 2.04 -0.97 -0.54 117.51 120.14 1oq3 h ILE 24 Ca 0.02 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.77 1oq3 h ILE 24 Cb 0.70 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1oq3 h ILE 24 CO 0.04 0.00 -0.26 -0.08 0.00 0.00 0.00 178.15 177.85 1oq3 h GLU 25 N -0.31 0.68 -0.95 2.37 4.22 -0.64 -2.80 114.58 117.15 1oq3 h GLU 25 Ca 0.13 -0.35 0.20 0.00 0.08 0.00 0.00 59.36 59.42 1oq3 h GLU 25 Cb 0.51 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.69 1oq3 h GLU 25 CO -0.41 0.96 0.61 0.87 -2.18 0.00 0.00 179.01 178.86 1oq3 h LYS 26 N 0.41 0.54 -0.14 1.92 1.79 -0.42 0.74 116.57 121.41 1oq3 h LYS 26 Ca 0.05 -0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.53 1oq3 h LYS 26 Cb 0.82 -0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 31.30 1oq3 h LYS 26 CO 0.07 0.35 -0.21 0.78 -1.08 0.00 0.00 179.45 179.36 1oq3 h GLY 27 N 0.55 -0.19 2.00 3.86 0.00 -0.85 -2.30 103.07 106.14 1oq3 h GLY 27 Ca 0.52 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 48.10 1oq3 h GLY 27 CO -0.26 -0.19 -0.06 1.41 0.00 0.00 0.00 176.54 177.44 1oq3 h LEU 28 N -0.27 0.00 -2.61 3.11 3.38 0.42 -0.69 115.31 118.64 1oq3 h LEU 28 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1oq3 h LEU 28 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1oq3 h LEU 28 CO -0.29 0.06 0.00 0.50 0.09 0.00 0.00 178.44 178.80 1oq3 h LYS 29 N 0.00 0.00 0.00 1.13 3.64 0.10 0.22 116.57 121.66 1oq3 h LYS 29 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1oq3 h LYS 29 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1oq3 h LYS 29 CO 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.19 1oq3 h ARG 30 N 0.00 0.00 -6.69 1.90 -0.00 -1.03 -3.47 114.38 105.09 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 0.01 0.00 0.02 0.00 0.00 0.00 0.00 29.97 30.00 1oq3 h ARG 30 CO 0.00 0.00 0.57 -1.64 0.00 0.00 0.00 179.97 178.90 1oq3 s MET 31 N -3.19 4.48 -0.56 0.04 -1.94 0.76 -4.93 119.30 113.96 1oq3 s MET 31 Ca 0.08 1.91 -0.27 0.00 -1.71 0.00 0.00 55.69 55.71 1oq3 s MET 31 Cb 0.10 -3.22 -0.03 0.00 2.01 0.00 0.00 34.83 33.69 1oq3 s MET 31 CO 0.59 -0.08 1.91 -1.25 -0.01 0.00 0.00 175.02 176.17 1oq3 s PRO 32 N -0.44 2.66 0.00 2.03 0.04 -1.26 -2.42 135.00 135.61 1oq3 s PRO 32 Ca 0.52 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1oq3 s PRO 32 Cb -0.34 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 29.82 1oq3 s PRO 32 CO 0.38 -2.68 0.00 0.41 0.04 0.00 0.00 177.00 175.16 1oq3 n GLY 33 N 5.69 0.96 3.77 0.56 0.00 -1.26 -4.55 105.19 110.36 1oq3 n GLY 33 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.37 3.14 -0.02 1.61 0.11 -1.02 -0.72 120.40 123.14 1oq3 s VAL 34 Ca 0.00 0.59 -0.07 0.00 -2.93 0.00 0.00 61.98 59.57 1oq3 s VAL 34 Cb 0.00 -3.14 -0.02 0.00 -1.53 0.00 0.00 36.38 31.69 1oq3 s VAL 34 CO 0.00 -0.27 -0.13 0.41 -3.33 0.00 0.00 175.10 171.78 1oq3 n THR 35 N -2.07 1.21 -3.91 5.04 -1.04 0.14 -4.91 114.28 108.73 1oq3 n THR 35 Ca 0.11 0.29 -0.11 0.00 -2.04 0.00 0.00 64.05 62.30 1oq3 n THR 35 Cb 0.51 -1.83 -0.12 0.00 -1.82 0.00 0.00 70.33 67.07 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 0.08 0.10 8.00 1.01 -1.04 -5.01 116.67 114.00 1oq3 s ASP 36 Ca -0.11 -0.21 0.05 0.00 0.71 0.00 0.00 52.55 52.99 1oq3 s ASP 36 Cb 0.01 0.12 -0.04 0.00 1.01 0.00 0.00 42.92 44.03 1oq3 s ASP 36 CO 0.16 -0.20 0.04 0.00 0.21 0.00 0.00 175.17 175.38 1oq3 s ALA 37 N -0.85 3.40 -0.28 5.23 0.00 -1.26 -0.21 121.76 127.78 1oq3 s ALA 37 Ca -0.09 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.76 1oq3 s ALA 37 Cb -0.06 -1.27 0.15 0.00 0.00 0.00 0.00 23.12 21.95 1oq3 s ALA 37 CO -0.00 0.68 0.38 -0.80 0.00 0.00 0.00 175.76 176.01 1oq3 s ASN 38 N -2.47 0.66 0.20 0.00 0.02 0.85 -4.96 114.94 109.24 1oq3 s ASN 38 Ca 0.27 -0.38 -0.24 0.00 -1.02 0.00 0.00 52.86 51.49 1oq3 s ASN 38 Cb -0.11 0.97 -0.08 0.00 0.02 0.00 0.00 41.25 42.04 1oq3 s ASN 38 CO 0.20 -0.35 0.79 0.54 0.02 0.00 0.00 177.10 178.29 1oq3 s VAL 39 N 2.50 4.39 -0.39 1.60 0.11 -1.26 -0.38 120.40 126.96 1oq3 s VAL 39 Ca 0.10 1.63 0.09 0.00 -2.93 0.00 0.00 61.98 60.87 1oq3 s VAL 39 Cb -0.13 -4.06 0.29 0.00 -1.53 0.00 0.00 36.38 30.94 1oq3 s VAL 39 CO -0.29 0.41 0.61 -3.20 -3.33 0.00 0.00 175.10 169.30 1oq3 n ASN 40 N 1.27 0.59 0.11 3.54 5.15 0.84 -4.93 115.26 121.83 1oq3 n ASN 40 Ca -0.04 -2.85 0.10 0.00 -0.60 0.00 0.00 54.58 51.19 1oq3 n ASN 40 Cb 0.49 -0.63 0.46 0.00 -0.53 0.00 0.00 39.78 39.57 1oq3 n ASN 40 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1oq3 n LEU 41 N 0.94 0.52 0.09 1.20 4.77 -1.23 -0.73 117.00 122.55 1oq3 n LEU 41 Ca 0.23 0.66 0.20 0.00 -0.03 0.00 0.00 56.01 57.07 1oq3 n LEU 41 Cb 0.57 -0.62 0.73 0.00 -2.33 0.00 0.00 43.42 41.78 1oq3 n LEU 41 CO 0.20 -0.61 1.18 0.00 -1.33 0.00 0.00 177.39 176.83 1oq3 h ALA 42 N 2.22 2.12 0.00 -1.18 0.00 -1.92 -0.87 119.26 119.63 1oq3 h ALA 42 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1oq3 h ALA 42 Cb 0.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1oq3 h ALA 42 CO 0.00 -0.69 -0.10 2.41 0.00 0.00 0.00 179.25 180.87 1oq3 n THR 43 N -3.66 1.26 -3.04 0.00 -1.04 0.09 -4.99 114.28 102.91 1oq3 n THR 43 Ca 0.08 -1.49 -0.18 0.00 -2.04 0.00 0.00 64.05 60.42 1oq3 n THR 43 Cb 0.65 0.09 -0.01 0.00 -1.82 0.00 0.00 70.33 69.25 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 -0.92 -2.88 -4.18 -2.82 1.02 -0.33 -4.92 120.64 105.61 1oq3 n GLU 44 Ca 0.09 0.42 -0.18 0.00 -0.02 0.00 0.00 57.16 57.48 1oq3 n GLU 44 Cb 0.58 -5.06 -0.12 0.00 -0.02 0.00 0.00 31.44 26.83 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 -2.72 0.99 0.02 2.62 2.01 -0.81 -2.38 115.64 115.39 1oq3 s THR 45 Ca 0.25 -1.20 0.03 0.00 0.31 0.00 0.00 61.69 61.07 1oq3 s THR 45 Cb -0.13 -0.96 -0.01 0.00 0.01 0.00 0.00 72.50 71.40 1oq3 s THR 45 CO 0.31 -0.22 -0.09 0.54 -0.69 0.00 0.00 174.62 174.47 1oq3 s VAL 46 N -1.21 0.68 0.02 3.82 0.11 -0.02 -0.12 120.40 123.68 1oq3 s VAL 46 Ca -0.03 -0.70 0.04 0.00 -2.93 0.00 0.00 61.98 58.36 1oq3 s VAL 46 Cb -0.10 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 1oq3 s VAL 46 CO 0.02 -0.05 -0.09 0.21 -3.33 0.00 0.00 175.10 171.86 1oq3 s ASN 47 N -0.83 4.45 -0.12 3.54 2.47 0.48 -1.15 114.94 123.77 1oq3 s ASN 47 Ca -0.01 -0.23 -0.09 0.00 0.42 0.00 0.00 52.86 52.95 1oq3 s ASN 47 Cb -0.06 -0.96 0.04 0.00 -1.45 0.00 0.00 41.25 38.81 1oq3 s ASN 47 CO 0.00 0.26 0.31 0.54 -3.72 0.00 0.00 177.10 174.50 1oq3 s VAL 48 N -1.01 -0.01 -0.29 -5.21 0.11 0.07 -0.11 120.40 113.95 1oq3 s VAL 48 Ca 0.17 0.04 -0.11 0.00 -2.93 0.00 0.00 61.98 59.16 1oq3 s VAL 48 Cb -0.11 -0.45 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1oq3 s VAL 48 CO 0.08 0.02 0.19 -0.63 -3.33 0.00 0.00 175.10 171.43 1oq3 s ILE 49 N 0.57 5.25 0.19 7.04 1.09 0.70 -0.74 121.20 135.30 1oq3 s ILE 49 Ca -0.03 0.08 -0.06 0.00 -1.10 0.00 0.00 60.65 59.54 1oq3 s ILE 49 Cb -0.05 -3.53 -0.02 0.00 -1.06 0.00 0.00 42.46 37.79 1oq3 s ILE 49 CO -0.03 0.21 0.23 -0.72 -0.10 0.00 0.00 174.94 174.52 1oq3 s TYR 50 N 1.74 0.73 -0.22 3.97 -0.85 -0.78 -0.68 117.35 121.27 1oq3 s TYR 50 Ca 0.07 -1.05 -0.06 0.00 -0.52 0.00 0.00 57.07 55.51 1oq3 s TYR 50 Cb -0.16 -0.25 -0.02 0.00 0.38 0.00 0.00 41.96 41.90 1oq3 s TYR 50 CO 0.10 -0.71 0.01 0.34 -1.52 0.00 0.00 175.55 173.78 1oq3 s ASP 51 N -3.06 4.85 0.00 -0.18 -1.08 0.10 -1.64 116.67 115.67 1oq3 s ASP 51 Ca 0.27 -0.22 0.08 0.00 -0.52 0.00 0.00 52.55 52.15 1oq3 s ASP 51 Cb 0.04 -1.84 0.46 0.00 -1.46 0.00 0.00 42.92 40.13 1oq3 s ASP 51 CO 0.06 0.03 0.91 -0.81 0.52 0.00 0.00 175.17 175.88 1oq3 n PRO 52 N 4.49 0.49 0.07 4.34 -0.04 -1.08 -0.31 135.00 142.96 1oq3 n PRO 52 Ca -0.17 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.19 1oq3 n PRO 52 Cb 0.52 -1.25 -0.07 0.00 -0.04 0.00 0.00 33.50 32.66 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 2.47 -0.26 0.15 0.55 0.00 -1.94 -3.36 119.26 116.87 1oq3 h ALA 53 Ca 0.00 -0.21 -0.28 0.00 0.00 0.00 0.00 54.91 54.42 1oq3 h ALA 53 Cb 0.00 0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1oq3 h ALA 53 CO 0.00 -0.33 -1.39 0.93 0.00 0.00 0.00 179.25 178.46 1oq3 h GLU 54 N -0.90 0.33 -3.30 0.00 3.07 -1.84 -3.50 114.58 108.44 1oq3 h GLU 54 Ca -0.03 -0.56 -0.24 0.00 -0.50 0.00 0.00 59.36 58.04 1oq3 h GLU 54 Cb 0.50 0.21 -0.31 0.00 -0.84 0.00 0.00 28.75 28.31 1oq3 h GLU 54 CO 0.04 1.27 -0.60 0.99 -1.40 0.00 0.00 179.01 179.31 1oq3 s THR 55 N -2.51 -0.04 0.00 1.13 2.01 0.58 -4.97 115.64 111.84 1oq3 s THR 55 Ca -0.17 0.15 0.00 0.00 0.31 0.00 0.00 61.69 61.99 1oq3 s THR 55 Cb 0.04 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.33 1oq3 s THR 55 CO 0.82 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 175.42 1oq3 n GLY 56 N 4.02 1.64 0.19 4.40 0.00 -1.26 -2.64 105.19 111.53 1oq3 n GLY 56 Ca -0.24 -0.64 0.06 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.22 -0.10 2.61 5.66 -1.26 -0.31 114.28 120.66 1oq3 n THR 57 Ca 0.00 1.19 -0.10 0.00 -3.05 0.00 0.00 64.05 62.09 1oq3 n THR 57 Cb 0.00 -1.71 -0.04 0.00 -1.55 0.00 0.00 70.33 67.03 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 1.07 -0.40 -0.12 1.79 0.00 -2.00 0.13 119.26 119.73 1oq3 h ALA 58 Ca 0.30 0.06 -0.22 0.00 0.00 0.00 0.00 54.91 55.06 1oq3 h ALA 58 Cb 0.58 0.83 0.01 0.00 0.00 0.00 0.00 17.79 19.21 1oq3 h ALA 58 CO -0.52 -0.84 -0.79 0.00 0.00 0.00 0.00 179.25 177.11 1oq3 h ALA 59 N 0.45 0.38 0.42 0.00 0.00 -1.04 -3.30 119.26 116.17 1oq3 h ALA 59 Ca 0.14 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1oq3 h ALA 59 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1oq3 h ALA 59 CO -0.53 0.71 -0.20 0.82 0.00 0.00 0.00 179.25 180.04 1oq3 h ILE 60 N 0.46 0.55 -0.45 0.00 2.04 -0.55 -1.86 117.51 117.70 1oq3 h ILE 60 Ca -0.05 -0.39 0.09 0.00 1.00 0.00 0.00 64.86 65.51 1oq3 h ILE 60 Cb 1.40 0.73 -0.09 0.00 -0.74 0.00 0.00 36.82 38.13 1oq3 h ILE 60 CO 0.15 0.07 -0.11 1.56 0.00 0.00 0.00 178.15 179.82 1oq3 h GLN 61 N -0.80 -0.00 -0.70 2.37 7.50 -0.91 0.21 115.11 122.79 1oq3 h GLN 61 Ca -0.06 0.00 0.10 0.00 0.50 0.00 0.00 58.65 59.20 1oq3 h GLN 61 Cb 0.54 0.00 -0.12 0.00 0.05 0.00 0.00 27.48 27.95 1oq3 h GLN 61 CO 0.09 -0.00 -0.43 1.49 -1.50 0.00 0.00 178.83 178.48 1oq3 h GLU 62 N -0.00 -0.15 -0.29 1.46 4.22 -1.60 0.78 114.58 119.00 1oq3 h GLU 62 Ca 0.22 0.01 -0.15 0.00 0.08 0.00 0.00 59.36 59.52 1oq3 h GLU 62 Cb 0.33 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1oq3 h GLU 62 CO -0.46 -0.10 -0.40 0.87 -2.18 0.00 0.00 179.01 176.74 1oq3 h LYS 63 N -0.16 0.78 -0.63 1.92 6.56 -0.42 -3.03 116.57 121.60 1oq3 h LYS 63 Ca 0.22 -0.45 0.11 0.00 -1.06 0.00 0.00 60.65 59.46 1oq3 h LYS 63 Cb 0.55 0.04 -0.08 0.00 -0.57 0.00 0.00 32.23 32.17 1oq3 h LYS 63 CO -0.77 1.08 0.19 0.82 -2.06 0.00 0.00 179.45 178.71 1oq3 h ILE 64 N 0.54 0.68 -0.64 1.86 1.08 0.26 0.32 117.51 121.63 1oq3 h ILE 64 Ca 0.03 -0.12 0.13 0.00 -0.39 0.00 0.00 64.86 64.52 1oq3 h ILE 64 Cb 0.99 0.32 -0.09 0.00 -3.07 0.00 0.00 36.82 34.96 1oq3 h ILE 64 CO 0.09 0.06 0.13 -0.33 -0.69 0.00 0.00 178.15 177.41 1oq3 h GLU 65 N 0.34 0.24 -0.10 2.37 4.39 -0.72 -1.67 114.58 119.42 1oq3 h GLU 65 Ca 0.33 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.88 1oq3 h GLU 65 Cb 0.47 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1oq3 h GLU 65 CO -0.37 0.16 -0.51 -0.22 -1.16 0.00 0.00 179.01 176.91 1oq3 h LYS 66 N 0.25 0.27 -0.04 2.33 3.64 -0.53 -0.39 116.57 122.08 1oq3 h LYS 66 Ca 0.34 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1oq3 h LYS 66 Cb 0.54 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1oq3 h LYS 66 CO -0.45 0.72 0.18 -0.07 -2.27 0.00 0.00 179.45 177.56 1oq3 h LEU 67 N 0.21 0.00 0.00 5.20 -0.00 0.37 -3.46 115.31 117.63 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 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.63 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 -1.21 1.66 3.24 0.83 0.00 -0.16 -5.03 105.19 104.53 1oq3 n GLY 68 Ca -0.02 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 1.37 -0.10 1.61 1.51 -0.96 -5.03 117.35 113.75 1oq3 s TYR 69 Ca 0.00 -1.47 0.00 0.00 -1.01 0.00 0.00 57.07 54.59 1oq3 s TYR 69 Cb 0.00 -0.60 0.02 0.00 -0.11 0.00 0.00 41.96 41.28 1oq3 s TYR 69 CO 0.00 -0.74 -0.09 -1.58 -1.11 0.00 0.00 175.55 172.02 1oq3 s HIS 70 N -3.87 1.53 0.17 2.71 5.65 -1.22 -2.84 115.29 117.42 1oq3 s HIS 70 Ca 0.39 -0.72 -0.14 0.00 0.25 0.00 0.00 55.06 54.84 1oq3 s HIS 70 Cb 0.05 -1.21 -0.07 0.00 -1.18 0.00 0.00 32.58 30.16 1oq3 s HIS 70 CO 0.18 -0.46 0.57 0.54 -0.65 0.00 0.00 174.74 174.92 1oq3 s VAL 71 N 1.39 4.84 0.43 0.89 0.11 -1.26 -0.54 120.40 126.27 1oq3 s VAL 71 Ca -0.01 0.81 0.01 0.00 -2.93 0.00 0.00 61.98 59.86 1oq3 s VAL 71 Cb -0.13 -3.72 -0.01 0.00 -1.53 0.00 0.00 36.38 30.99 1oq3 s VAL 71 CO -0.05 0.18 0.65 0.68 -3.33 0.00 0.00 175.10 173.23 1oq3 s VAL 72 N -1.53 4.09 -0.30 2.04 -7.23 -0.41 -4.94 120.40 112.12 1oq3 s VAL 72 Ca 0.40 -0.53 0.02 0.00 -1.81 0.00 0.00 61.98 60.07 1oq3 s VAL 72 Cb -0.14 -3.50 0.08 0.00 0.56 0.00 0.00 36.38 33.38 1oq3 s VAL 72 CO 0.19 -0.34 0.00 -0.63 -0.31 0.00 0.00 175.10 174.02 1oq3 s ILE 73 N -2.51 1.87 -0.13 -0.62 -1.09 -1.26 -4.22 121.20 113.23 1oq3 s ILE 73 Ca 0.47 -1.81 -0.30 0.00 -2.23 0.00 0.00 60.65 56.78 1oq3 s ILE 73 Cb -0.10 -2.25 -0.36 0.00 -1.58 0.00 0.00 42.46 38.17 1oq3 s ILE 73 CO 0.37 -0.39 1.65 -1.84 -1.23 0.00 0.00 174.94 173.51 1oq3 n GLU 74 N 4.47 0.03 0.00 2.79 0.28 -1.26 -3.74 120.64 123.21 1oq3 n GLU 74 Ca -0.04 -1.09 0.00 0.00 -0.16 0.00 0.00 57.16 55.87 1oq3 n GLU 74 Cb 0.42 -2.67 0.00 0.00 1.43 0.00 0.00 31.44 30.62 1oq3 n GLU 74 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1oq3 n GLY 75 N 5.13 -0.62 0.00 -1.84 0.00 -1.26 -5.15 105.19 101.45 1oq3 n GLY 75 Ca 0.46 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1oq3 n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19