#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oq3 n LEU 2 N 0.00 0.00 -2.48 4.03 4.77 -1.26 -5.14 117.00 116.93 1oq3 n LEU 2 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 1oq3 n LEU 2 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1oq3 n LEU 2 CO 0.00 0.00 -0.44 -1.20 -1.33 0.00 0.00 177.39 174.42 1oq3 n SER 3 N 0.00 -5.54 -3.93 -1.43 7.64 -1.26 -5.09 113.62 104.01 1oq3 n SER 3 Ca 0.00 1.17 -0.10 0.00 1.01 0.00 0.00 58.87 60.95 1oq3 n SER 3 Cb 0.00 -4.56 -0.10 0.00 -1.01 0.00 0.00 64.21 58.53 1oq3 n SER 3 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1oq3 s GLU 4 N -1.21 0.43 0.60 1.43 -1.05 -1.26 -5.16 118.70 112.48 1oq3 s GLU 4 Ca -0.05 -0.55 0.04 0.00 -0.15 0.00 0.00 54.97 54.25 1oq3 s GLU 4 Cb 0.00 0.17 0.08 0.00 -0.44 0.00 0.00 34.13 33.94 1oq3 s GLU 4 CO 0.65 -0.09 0.83 1.14 0.95 0.00 0.00 175.26 178.74 1oq3 s GLN 5 N -1.63 2.20 0.17 -4.83 -2.07 -1.26 -4.51 119.66 107.72 1oq3 s GLN 5 Ca -0.14 -1.21 -0.12 0.00 -1.82 0.00 0.00 55.36 52.07 1oq3 s GLN 5 Cb -0.07 -2.51 0.01 0.00 -1.09 0.00 0.00 33.01 29.34 1oq3 s GLN 5 CO -0.01 -0.96 0.36 0.15 -1.32 0.00 0.00 175.29 173.51 1oq3 s LYS 6 N -4.82 1.20 0.27 9.60 1.02 -0.33 -5.00 119.74 121.68 1oq3 s LYS 6 Ca 0.62 -1.03 -0.22 0.00 0.02 0.00 0.00 55.97 55.36 1oq3 s LYS 6 Cb -0.07 0.43 -0.09 0.00 -0.52 0.00 0.00 37.83 37.57 1oq3 s LYS 6 CO 0.40 -0.46 0.81 -1.83 -0.92 0.00 0.00 175.35 173.35 1oq3 s GLU 7 N -3.92 4.36 0.09 1.68 -1.05 -1.26 -1.03 118.70 117.56 1oq3 s GLU 7 Ca 0.13 1.03 0.08 0.00 -0.15 0.00 0.00 54.97 56.06 1oq3 s GLU 7 Cb 0.02 -2.80 -0.03 0.00 -0.44 0.00 0.00 34.13 30.87 1oq3 s GLU 7 CO -0.03 0.33 -0.22 -1.50 0.95 0.00 0.00 175.26 174.79 1oq3 s ILE 8 N -1.60 1.80 -0.05 1.83 1.10 0.28 -4.97 121.20 119.59 1oq3 s ILE 8 Ca 0.47 -1.51 -0.02 0.00 -0.51 0.00 0.00 60.65 59.08 1oq3 s ILE 8 Cb -0.17 -1.61 0.03 0.00 0.15 0.00 0.00 42.46 40.86 1oq3 s ILE 8 CO 0.21 0.03 0.04 0.00 -2.11 0.00 0.00 174.94 173.11 1oq3 s ALA 9 N -1.07 0.38 0.21 1.50 0.00 -1.26 -0.79 121.76 120.73 1oq3 s ALA 9 Ca 0.08 0.09 -0.19 0.00 0.00 0.00 0.00 51.96 51.95 1oq3 s ALA 9 Cb -0.10 -0.64 0.03 0.00 0.00 0.00 0.00 23.12 22.41 1oq3 s ALA 9 CO 0.04 -0.46 0.56 0.00 0.00 0.00 0.00 175.76 175.90 1oq3 s MET 10 N 2.06 1.44 0.15 0.00 0.23 -0.19 -4.71 119.30 118.28 1oq3 s MET 10 Ca 0.04 -0.85 -0.02 0.00 -1.03 0.00 0.00 55.69 53.83 1oq3 s MET 10 Cb -0.12 0.54 -0.05 0.00 -1.53 0.00 0.00 34.83 33.67 1oq3 s MET 10 CO -0.04 -0.62 0.35 -0.65 -2.03 0.00 0.00 175.02 172.04 1oq3 s GLN 11 N -3.87 3.55 0.34 3.16 1.11 -1.26 -0.98 119.66 121.71 1oq3 s GLN 11 Ca 0.09 -0.26 0.09 0.00 0.01 0.00 0.00 55.36 55.29 1oq3 s GLN 11 Cb -0.02 -2.88 -0.05 0.00 -1.01 0.00 0.00 33.01 29.05 1oq3 s GLN 11 CO -0.02 0.46 -0.00 0.08 0.01 0.00 0.00 175.29 175.82 1oq3 s VAL 12 N -1.72 2.62 -0.12 1.09 1.01 -1.23 -1.05 120.40 120.99 1oq3 s VAL 12 Ca 0.39 -2.00 0.01 0.00 0.00 0.00 0.00 61.98 60.38 1oq3 s VAL 12 Cb -0.12 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.50 1oq3 s VAL 12 CO 0.27 -0.21 -0.15 -0.55 0.00 0.00 0.00 175.10 174.46 1oq3 s SER 13 N -3.70 2.53 0.00 3.32 0.15 0.82 -4.81 113.70 112.01 1oq3 s SER 13 Ca 0.34 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1oq3 s SER 13 Cb -0.00 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.18 1oq3 s SER 13 CO 0.19 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1oq3 n GLY 14 N 4.34 2.02 3.66 9.45 0.00 -1.26 -3.29 105.19 120.12 1oq3 n GLY 14 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.33 1.67 -0.41 1.61 0.00 -1.26 -4.94 117.12 113.46 1oq3 n MET 15 Ca 0.00 0.60 0.07 0.00 0.00 0.00 0.00 57.70 58.37 1oq3 n MET 15 Cb 0.00 -2.24 0.22 0.00 0.00 0.00 0.00 33.22 31.19 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 -0.35 2.23 0.00 3.17 -2.24 -1.26 -4.99 114.28 110.83 1oq3 n THR 16 Ca 0.08 -2.17 0.00 0.00 -2.27 0.00 0.00 64.05 59.69 1oq3 n THR 16 Cb 0.39 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 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 0.00 0.24 -1.08 0.00 0.00 -1.26 -3.81 120.51 114.59 1oq3 n ALA 18 Ca 0.00 -2.00 -0.03 0.00 0.00 0.00 0.00 53.44 51.42 1oq3 n ALA 18 Cb 0.00 -3.06 -0.01 0.00 0.00 0.00 0.00 19.45 16.38 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 18.30 -0.04 0.12 0.00 0.00 -1.26 -4.86 120.51 132.76 1oq3 n ALA 19 Ca 0.38 0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.82 1oq3 n ALA 19 Cb 0.46 -1.53 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.50 1.79 0.31 0.00 0.00 -1.89 -0.75 119.26 117.21 1oq3 h ALA 21 Ca -0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1oq3 h ALA 21 Cb 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1oq3 h ALA 21 CO 0.06 0.07 -0.23 0.00 0.00 0.00 0.00 179.25 179.15 1oq3 h ALA 22 N 1.94 -0.53 -0.30 0.00 0.00 -1.93 0.13 119.26 118.58 1oq3 h ALA 22 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1oq3 h ALA 22 Cb 0.11 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1oq3 h ALA 22 CO 0.01 -0.82 0.11 0.00 0.00 0.00 0.00 179.25 178.55 1oq3 h ARG 23 N -0.54 0.45 -0.21 0.00 3.08 -0.53 0.11 114.38 116.74 1oq3 h ARG 23 Ca -0.02 -0.09 0.04 0.00 0.07 0.00 0.00 59.98 59.98 1oq3 h ARG 23 Cb 0.47 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.38 1oq3 h ARG 23 CO -0.00 0.47 -0.49 0.82 -1.07 0.00 0.00 179.97 179.70 1oq3 h ILE 24 N 0.33 0.06 -0.25 2.04 2.04 -1.09 -1.06 117.51 119.58 1oq3 h ILE 24 Ca 0.10 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.80 1oq3 h ILE 24 Cb 0.20 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 1oq3 h ILE 24 CO -0.01 0.00 -0.49 -0.08 0.00 0.00 0.00 178.15 177.57 1oq3 h GLU 25 N -0.49 0.68 -0.66 2.37 4.81 -0.62 -2.19 114.58 118.48 1oq3 h GLU 25 Ca 0.07 -0.39 0.11 0.00 -0.13 0.00 0.00 59.36 59.02 1oq3 h GLU 25 Cb 0.64 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.01 1oq3 h GLU 25 CO -0.47 1.01 0.44 0.87 -0.73 0.00 0.00 179.01 180.13 1oq3 h LYS 26 N 0.53 0.41 -0.45 1.92 1.79 -0.45 0.61 116.57 120.94 1oq3 h LYS 26 Ca 0.03 -0.02 0.09 0.00 -2.18 0.00 0.00 60.65 58.56 1oq3 h LYS 26 Cb 1.04 -0.09 -0.07 0.00 -1.58 0.00 0.00 32.23 31.53 1oq3 h LYS 26 CO 0.10 0.27 -0.02 0.78 -1.08 0.00 0.00 179.45 179.50 1oq3 h GLY 27 N 0.42 0.43 1.74 3.86 0.00 -0.54 -2.20 103.07 106.79 1oq3 h GLY 27 Ca 0.31 0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.66 1oq3 h GLY 27 CO -0.09 -0.13 -0.10 1.41 0.00 0.00 0.00 176.54 177.63 1oq3 h LEU 28 N 0.09 0.30 -1.87 3.11 3.38 0.17 -0.52 115.31 119.97 1oq3 h LEU 28 Ca 0.22 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1oq3 h LEU 28 Cb 0.33 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1oq3 h LEU 28 CO -0.38 0.44 0.17 0.50 0.09 0.00 0.00 178.44 179.26 1oq3 h LYS 29 N 0.30 0.00 -0.57 1.13 3.64 -0.16 0.13 116.57 121.04 1oq3 h LYS 29 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1oq3 h LYS 29 Cb 0.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1oq3 h LYS 29 CO 0.02 0.00 0.00 0.54 -2.27 0.00 0.00 179.45 177.74 1oq3 n ARG 30 N -2.61 2.46 -3.06 1.90 1.74 -0.21 -4.88 116.66 112.00 1oq3 n ARG 30 Ca -0.02 -2.26 -0.39 0.00 -0.77 0.00 0.00 57.85 54.41 1oq3 n ARG 30 Cb 0.21 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.09 1oq3 n ARG 30 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1oq3 s MET 31 N -1.24 4.45 -0.42 5.56 -1.94 0.46 -5.02 119.30 121.15 1oq3 s MET 31 Ca 0.42 1.03 -0.28 0.00 -1.71 0.00 0.00 55.69 55.15 1oq3 s MET 31 Cb 0.22 -3.21 -0.02 0.00 2.01 0.00 0.00 34.83 33.83 1oq3 s MET 31 CO 0.30 0.56 1.88 -1.25 -0.01 0.00 0.00 175.02 176.50 1oq3 s PRO 32 N -1.25 3.03 0.00 2.03 0.04 -1.26 -2.74 135.00 134.85 1oq3 s PRO 32 Ca 0.35 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1oq3 s PRO 32 Cb -0.22 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.04 1oq3 s PRO 32 CO 0.24 -2.23 0.00 0.41 0.04 0.00 0.00 177.00 175.46 1oq3 n GLY 33 N 5.56 1.16 3.77 0.56 0.00 -1.26 -4.39 105.19 110.58 1oq3 n GLY 33 Ca 0.23 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 -0.36 3.16 0.01 1.61 0.11 -1.11 -0.38 120.40 123.45 1oq3 s VAL 34 Ca 0.00 0.64 -0.04 0.00 -2.93 0.00 0.00 61.98 59.65 1oq3 s VAL 34 Cb 0.00 -3.19 -0.02 0.00 -1.53 0.00 0.00 36.38 31.64 1oq3 s VAL 34 CO 0.00 -0.24 -0.09 0.41 -3.33 0.00 0.00 175.10 171.86 1oq3 n THR 35 N -1.81 1.14 -3.86 5.04 -1.04 0.30 -4.91 114.28 109.14 1oq3 n THR 35 Ca 0.11 0.27 -0.11 0.00 -2.04 0.00 0.00 64.05 62.28 1oq3 n THR 35 Cb 0.51 -1.74 -0.10 0.00 -1.82 0.00 0.00 70.33 67.18 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 -5.92 0.01 0.04 8.00 2.15 -1.16 -5.00 116.67 114.79 1oq3 s ASP 36 Ca -0.07 -0.21 -0.00 0.00 0.43 0.00 0.00 52.55 52.70 1oq3 s ASP 36 Cb 0.01 0.22 -0.04 0.00 -0.30 0.00 0.00 42.92 42.81 1oq3 s ASP 36 CO 0.11 -0.40 0.16 0.00 -0.17 0.00 0.00 175.17 174.87 1oq3 s ALA 37 N -1.51 3.85 -0.39 3.66 0.00 -1.26 -0.63 121.76 125.48 1oq3 s ALA 37 Ca -0.14 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.02 1oq3 s ALA 37 Cb -0.07 -1.73 0.17 0.00 0.00 0.00 0.00 23.12 21.49 1oq3 s ALA 37 CO 0.01 0.78 0.51 1.21 0.00 0.00 0.00 175.76 178.27 1oq3 s ASN 38 N -2.24 -0.27 0.09 0.00 3.84 0.12 -4.97 114.94 111.50 1oq3 s ASN 38 Ca 0.30 -1.15 -0.26 0.00 0.21 0.00 0.00 52.86 51.96 1oq3 s ASN 38 Cb -0.13 1.31 -0.06 0.00 -0.55 0.00 0.00 41.25 41.82 1oq3 s ASN 38 CO 0.23 -0.21 0.82 0.54 -2.79 0.00 0.00 177.10 175.69 1oq3 s VAL 39 N 1.66 4.60 -0.42 -5.21 0.11 -1.26 -0.35 120.40 119.52 1oq3 s VAL 39 Ca 0.16 1.77 0.09 0.00 -2.93 0.00 0.00 61.98 61.08 1oq3 s VAL 39 Cb -0.09 -4.18 0.29 0.00 -1.53 0.00 0.00 36.38 30.87 1oq3 s VAL 39 CO -0.05 0.38 0.64 -3.20 -3.33 0.00 0.00 175.10 169.54 1oq3 n ASN 40 N 2.59 1.03 0.27 3.54 5.15 0.61 -4.94 115.26 123.51 1oq3 n ASN 40 Ca -0.02 -2.94 0.18 0.00 -0.60 0.00 0.00 54.58 51.21 1oq3 n ASN 40 Cb 0.50 -0.63 0.86 0.00 -0.53 0.00 0.00 39.78 39.98 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 -2.11 1.20 3.38 -1.92 0.99 115.31 120.46 1oq3 h LEU 41 Ca 0.10 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.14 1oq3 h LEU 41 Cb 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1oq3 h LEU 41 CO 0.53 0.00 0.23 0.00 0.09 0.00 0.00 178.44 179.29 1oq3 h ALA 42 N 2.03 2.08 -0.12 1.53 0.00 -1.92 -0.39 119.26 122.47 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 0.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1oq3 h ALA 42 CO 0.00 -0.37 0.00 2.41 0.00 0.00 0.00 179.25 181.29 1oq3 n THR 43 N -4.12 1.88 -3.39 0.00 -1.04 0.27 -4.99 114.28 102.89 1oq3 n THR 43 Ca 0.04 -1.90 -0.23 0.00 -2.04 0.00 0.00 64.05 59.91 1oq3 n THR 43 Cb 0.38 -0.12 -0.01 0.00 -1.82 0.00 0.00 70.33 68.77 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 -0.85 -3.22 -3.93 -2.82 1.02 -0.16 -4.91 120.64 105.78 1oq3 n GLU 44 Ca 0.16 0.44 -0.10 0.00 -0.02 0.00 0.00 57.16 57.64 1oq3 n GLU 44 Cb 0.68 -5.13 -0.10 0.00 -0.02 0.00 0.00 31.44 26.87 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 -2.91 0.11 0.05 2.62 2.01 -0.76 -3.58 115.64 113.19 1oq3 s THR 45 Ca 0.41 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.52 1oq3 s THR 45 Cb -0.22 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.69 1oq3 s THR 45 CO 0.50 -0.51 -0.11 0.54 -0.69 0.00 0.00 174.62 174.35 1oq3 s VAL 46 N -1.91 0.83 -0.11 3.82 0.11 -0.15 -0.28 120.40 122.71 1oq3 s VAL 46 Ca -0.11 -1.11 0.02 0.00 -2.93 0.00 0.00 61.98 57.85 1oq3 s VAL 46 Cb -0.06 -0.83 0.01 0.00 -1.53 0.00 0.00 36.38 33.98 1oq3 s VAL 46 CO -0.02 -0.25 -0.18 0.21 -3.33 0.00 0.00 175.10 171.54 1oq3 s ASN 47 N -1.51 2.68 -0.02 3.54 2.47 0.52 -1.02 114.94 121.60 1oq3 s ASN 47 Ca -0.05 -0.49 0.05 0.00 0.42 0.00 0.00 52.86 52.79 1oq3 s ASN 47 Cb -0.09 -1.22 -0.01 0.00 -1.45 0.00 0.00 41.25 38.47 1oq3 s ASN 47 CO 0.01 0.06 -0.17 0.54 -3.72 0.00 0.00 177.10 173.82 1oq3 s VAL 48 N 0.81 1.40 -0.22 -5.21 0.11 0.03 0.11 120.40 117.43 1oq3 s VAL 48 Ca -0.09 -0.74 -0.10 0.00 -2.93 0.00 0.00 61.98 58.11 1oq3 s VAL 48 Cb -0.16 -1.17 -0.05 0.00 -1.53 0.00 0.00 36.38 33.47 1oq3 s VAL 48 CO 0.00 0.40 0.16 -0.63 -3.33 0.00 0.00 175.10 171.70 1oq3 s ILE 49 N -0.28 5.37 0.24 7.04 1.01 0.19 -0.56 121.20 134.22 1oq3 s ILE 49 Ca 0.04 0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.77 1oq3 s ILE 49 Cb -0.08 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 1oq3 s ILE 49 CO 0.00 0.38 0.44 -0.72 0.00 0.00 0.00 174.94 175.04 1oq3 s TYR 50 N 0.80 0.47 -0.28 3.97 -0.85 -0.20 -0.54 117.35 120.72 1oq3 s TYR 50 Ca 0.08 -0.82 -0.06 0.00 -0.52 0.00 0.00 57.07 55.75 1oq3 s TYR 50 Cb -0.13 0.09 0.00 0.00 0.38 0.00 0.00 41.96 42.31 1oq3 s TYR 50 CO 0.02 -0.95 0.06 0.34 -1.52 0.00 0.00 175.55 173.50 1oq3 s ASP 51 N -3.04 5.03 0.00 -0.18 -1.08 0.49 -1.19 116.67 116.70 1oq3 s ASP 51 Ca 0.25 -0.60 0.06 0.00 -0.52 0.00 0.00 52.55 51.74 1oq3 s ASP 51 Cb 0.00 -1.87 0.35 0.00 -1.46 0.00 0.00 42.92 39.95 1oq3 s ASP 51 CO 0.10 -0.15 0.76 -0.81 0.52 0.00 0.00 175.17 175.59 1oq3 n PRO 52 N 4.86 0.38 -0.02 4.34 -0.04 -0.99 -0.30 135.00 143.23 1oq3 n PRO 52 Ca -0.15 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.15 1oq3 n PRO 52 Cb 0.49 -1.24 -0.12 0.00 -0.04 0.00 0.00 33.50 32.59 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 2.25 0.03 0.02 0.55 0.00 -1.94 -3.37 119.26 116.80 1oq3 h ALA 53 Ca 0.00 -0.50 -0.35 0.00 0.00 0.00 0.00 54.91 54.06 1oq3 h ALA 53 Cb 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1oq3 h ALA 53 CO 0.00 0.15 -2.13 0.39 0.00 0.00 0.00 179.25 177.66 1oq3 n GLU 54 N -4.43 0.68 -3.67 0.00 1.02 -0.99 -5.06 120.64 108.19 1oq3 n GLU 54 Ca -0.10 0.16 -0.09 0.00 -0.02 0.00 0.00 57.16 57.11 1oq3 n GLU 54 Cb 0.56 -1.64 -0.09 0.00 -0.02 0.00 0.00 31.44 30.25 1oq3 n GLU 54 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1oq3 s THR 55 N -2.54 -0.01 0.00 2.62 2.01 0.58 -4.91 115.64 113.39 1oq3 s THR 55 Ca -0.14 0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.90 1oq3 s THR 55 Cb 0.07 -0.81 0.00 0.00 0.01 0.00 0.00 72.50 71.77 1oq3 s THR 55 CO 0.78 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.34 1oq3 n GLY 56 N 4.30 2.83 0.23 4.40 0.00 -1.26 -2.34 105.19 113.33 1oq3 n GLY 56 Ca -0.22 -0.88 0.22 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.29 -0.10 2.61 5.66 -1.26 -0.43 114.28 120.46 1oq3 n THR 57 Ca 0.00 1.43 -0.10 0.00 -3.05 0.00 0.00 64.05 62.33 1oq3 n THR 57 Cb 0.00 -2.31 -0.04 0.00 -1.55 0.00 0.00 70.33 66.42 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 1.40 -0.39 -0.09 1.79 0.00 -2.00 0.17 119.26 120.14 1oq3 h ALA 58 Ca 0.59 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 55.39 1oq3 h ALA 58 Cb 1.56 0.83 -0.01 0.00 0.00 0.00 0.00 17.79 20.17 1oq3 h ALA 58 CO -0.54 -0.84 -0.68 0.00 0.00 0.00 0.00 179.25 177.19 1oq3 h ALA 59 N 0.46 0.68 0.07 0.00 0.00 -1.13 -3.29 119.26 116.05 1oq3 h ALA 59 Ca 0.14 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1oq3 h ALA 59 Cb 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1oq3 h ALA 59 CO -0.54 0.75 -0.04 0.82 0.00 0.00 0.00 179.25 180.25 1oq3 h ILE 60 N 0.26 1.20 -0.49 0.00 2.04 -0.95 -2.08 117.51 117.50 1oq3 h ILE 60 Ca -0.02 -1.08 0.10 0.00 1.00 0.00 0.00 64.86 64.86 1oq3 h ILE 60 Cb 1.23 1.89 -0.09 0.00 -0.74 0.00 0.00 36.82 39.10 1oq3 h ILE 60 CO 0.11 0.26 -0.09 1.56 0.00 0.00 0.00 178.15 179.99 1oq3 h GLN 61 N -0.60 0.02 -0.73 2.37 7.50 -0.82 0.24 115.11 123.09 1oq3 h GLN 61 Ca -0.01 -0.00 0.09 0.00 0.50 0.00 0.00 58.65 59.22 1oq3 h GLN 61 Cb 0.50 -0.01 -0.11 0.00 0.05 0.00 0.00 27.48 27.92 1oq3 h GLN 61 CO 0.02 0.02 -0.52 1.49 -1.50 0.00 0.00 178.83 178.34 1oq3 h GLU 62 N 0.02 -0.16 -0.32 1.46 4.22 -1.59 0.16 114.58 118.37 1oq3 h GLU 62 Ca 0.24 0.01 -0.15 0.00 0.08 0.00 0.00 59.36 59.54 1oq3 h GLU 62 Cb 0.37 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1oq3 h GLU 62 CO -0.48 -0.11 -0.40 0.87 -2.18 0.00 0.00 179.01 176.71 1oq3 h LYS 63 N -0.17 0.84 -0.62 1.92 6.56 -0.64 -3.05 116.57 121.41 1oq3 h LYS 63 Ca 0.16 -0.47 0.11 0.00 -1.06 0.00 0.00 60.65 59.39 1oq3 h LYS 63 Cb 0.52 0.03 -0.08 0.00 -0.57 0.00 0.00 32.23 32.13 1oq3 h LYS 63 CO -0.79 1.11 0.19 0.82 -2.06 0.00 0.00 179.45 178.73 1oq3 h ILE 64 N 0.63 0.69 -0.58 1.86 1.08 0.22 0.23 117.51 121.64 1oq3 h ILE 64 Ca 0.04 -0.12 0.11 0.00 -0.39 0.00 0.00 64.86 64.51 1oq3 h ILE 64 Cb 0.99 0.32 -0.09 0.00 -3.07 0.00 0.00 36.82 34.98 1oq3 h ILE 64 CO 0.10 0.06 0.08 -0.33 -0.69 0.00 0.00 178.15 177.37 1oq3 h GLU 65 N 0.34 0.20 -0.16 2.37 4.39 -0.50 -1.99 114.58 119.23 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 0.46 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1oq3 h GLU 65 CO -0.36 0.13 -0.47 -0.22 -1.16 0.00 0.00 179.01 176.93 1oq3 h LYS 66 N 0.20 0.42 -0.10 2.33 3.64 -0.65 0.58 116.57 122.99 1oq3 h LYS 66 Ca 0.30 -0.23 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1oq3 h LYS 66 Cb 0.46 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1oq3 h LYS 66 CO -0.43 0.80 0.27 -0.07 -2.27 0.00 0.00 179.45 177.76 1oq3 h LEU 67 N 0.33 0.00 0.00 5.20 -0.00 0.02 -3.45 115.31 117.41 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 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.61 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 -1.28 1.50 3.20 0.83 0.00 0.19 -5.01 105.19 104.63 1oq3 n GLY 68 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.95 -0.15 1.61 1.51 -0.90 -5.02 117.35 113.35 1oq3 s TYR 69 Ca 0.00 -1.25 0.02 0.00 -1.01 0.00 0.00 57.07 54.82 1oq3 s TYR 69 Cb 0.00 -0.46 0.02 0.00 -0.11 0.00 0.00 41.96 41.40 1oq3 s TYR 69 CO 0.00 -0.61 -0.20 -1.58 -1.11 0.00 0.00 175.55 172.05 1oq3 s HIS 70 N -4.09 2.60 -0.09 2.71 5.65 -1.21 -2.72 115.29 118.14 1oq3 s HIS 70 Ca 0.31 -1.42 -0.06 0.00 0.25 0.00 0.00 55.06 54.14 1oq3 s HIS 70 Cb 0.07 -1.80 -0.04 0.00 -1.18 0.00 0.00 32.58 29.63 1oq3 s HIS 70 CO 0.07 -0.69 0.14 0.54 -0.65 0.00 0.00 174.74 174.15 1oq3 s VAL 71 N 1.10 5.42 0.29 0.89 0.11 -1.26 -0.12 120.40 126.83 1oq3 s VAL 71 Ca -0.01 0.10 0.04 0.00 -2.93 0.00 0.00 61.98 59.19 1oq3 s VAL 71 Cb -0.14 -3.40 -0.02 0.00 -1.53 0.00 0.00 36.38 31.29 1oq3 s VAL 71 CO -0.07 0.55 0.43 0.68 -3.33 0.00 0.00 175.10 173.36 1oq3 s VAL 72 N -1.09 4.85 -0.57 2.04 -7.23 -0.22 -4.98 120.40 113.20 1oq3 s VAL 72 Ca 0.18 -0.89 0.05 0.00 -1.81 0.00 0.00 61.98 59.51 1oq3 s VAL 72 Cb -0.12 -3.72 0.19 0.00 0.56 0.00 0.00 36.38 33.29 1oq3 s VAL 72 CO 0.07 -0.32 0.49 -0.38 -0.31 0.00 0.00 175.10 174.65 1oq3 n ILE 73 N -1.57 0.63 -4.11 -0.62 2.08 -1.26 -4.00 119.36 110.51 1oq3 n ILE 73 Ca -0.05 -4.39 -0.33 0.00 0.56 0.00 0.00 62.75 58.54 1oq3 n ILE 73 Cb 0.57 -1.99 -0.16 0.00 -0.75 0.00 0.00 39.64 37.32 1oq3 n ILE 73 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1oq3 s GLU 74 N -1.12 2.86 0.00 0.38 2.12 -1.26 -5.00 118.70 116.68 1oq3 s GLU 74 Ca 0.31 -0.91 0.00 0.00 0.36 0.00 0.00 54.97 54.73 1oq3 s GLU 74 Cb 0.03 -2.61 0.00 0.00 0.26 0.00 0.00 34.13 31.81 1oq3 s GLU 74 CO -0.15 -0.27 0.00 0.41 -0.54 0.00 0.00 175.26 174.71 1oq3 n GLY 75 N 4.59 -2.83 0.00 -1.50 0.00 -1.26 -4.81 105.19 99.38 1oq3 n GLY 75 Ca -0.20 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1oq3 n GLY 75 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36